smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[NH2+][C@H]2CCO[C@H](c3cncn3C)C2)cc1C ZINC000275530623 130329669 /nfs/dbraw/zinc/32/96/69/130329669.db2.gz LWPKQHOJVYOKBB-YJBOKZPZSA-N 2 0 315.417 2.747 20 10 DFCDRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293770185 543021528 /nfs/dbraw/zinc/02/15/28/543021528.db2.gz SOKBRWYDXFAICR-LSDHHAIUSA-N 2 0 323.456 2.511 20 10 DFCDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000165966851 286198458 /nfs/dbraw/zinc/19/84/58/286198458.db2.gz ALTFZOWPQLPHGG-QAPCUYQASA-N 2 0 307.482 2.760 20 10 DFCDRP CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c(O)c1 ZINC000093770513 426358968 /nfs/dbraw/zinc/35/89/68/426358968.db2.gz DYVLKICJNGRIKL-OAHLLOKOSA-N 2 0 306.450 2.955 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000290346618 426747100 /nfs/dbraw/zinc/74/71/00/426747100.db2.gz FUXNZAMEGXHEQL-PBHICJAKSA-N 2 0 304.434 2.707 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000290346649 426747361 /nfs/dbraw/zinc/74/73/61/426747361.db2.gz FUXNZAMEGXHEQL-WMLDXEAASA-N 2 0 304.434 2.707 20 10 DFCDRP Oc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246001469 426791300 /nfs/dbraw/zinc/79/13/00/426791300.db2.gz RXGRYKOXHGVWGI-GUYCJALGSA-N 2 0 304.409 2.980 20 10 DFCDRP CC[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccccc1O ZINC000278476816 427442512 /nfs/dbraw/zinc/44/25/12/427442512.db2.gz KFJDHDSYYDFTJB-WBVHZDCISA-N 2 0 306.450 2.934 20 10 DFCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185345489 427636044 /nfs/dbraw/zinc/63/60/44/427636044.db2.gz SRWJFFZJVMCKEX-IRXDYDNUSA-N 2 0 319.493 2.625 20 10 DFCDRP [NH3+]C[C@H]1CCN(Cc2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000634691063 430079694 /nfs/dbraw/zinc/07/96/94/430079694.db2.gz ZELLQOBFWJCCNH-OAHLLOKOSA-N 2 0 307.441 2.785 20 10 DFCDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(F)ccc1O ZINC000273475379 334048097 /nfs/dbraw/zinc/04/80/97/334048097.db2.gz KPFDNMGAWRDXQJ-IWEFOYFVSA-N 2 0 322.424 2.560 20 10 DFCDRP Cc1ccc(O)c(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)c1 ZINC000378348638 337070569 /nfs/dbraw/zinc/07/05/69/337070569.db2.gz HBOAPDZAPWRWMW-UHFFFAOYSA-N 2 0 318.461 2.776 20 10 DFCDRP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000131387711 520623554 /nfs/dbraw/zinc/62/35/54/520623554.db2.gz AOFPISLHUNHFFH-KRWDZBQOSA-N 2 0 319.493 2.906 20 10 DFCDRP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000093683717 426358900 /nfs/dbraw/zinc/35/89/00/426358900.db2.gz NPDHDRVAFZGUFU-HNNXBMFYSA-N 2 0 304.434 2.709 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)c1O ZINC000093693212 426358987 /nfs/dbraw/zinc/35/89/87/426358987.db2.gz XBNCZWMXBUHKFR-OAHLLOKOSA-N 2 0 306.450 2.955 20 10 DFCDRP COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000290298836 426736014 /nfs/dbraw/zinc/73/60/14/426736014.db2.gz BBFBNRCSAOQPGF-WFASDCNBSA-N 2 0 324.852 2.970 20 10 DFCDRP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(OC)cc2O)CC1 ZINC000179797822 426820132 /nfs/dbraw/zinc/82/01/32/426820132.db2.gz VWZVDCAVZSNNAT-UHFFFAOYSA-N 2 0 322.449 2.716 20 10 DFCDRP CC[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccccc1O ZINC000278476814 427441547 /nfs/dbraw/zinc/44/15/47/427441547.db2.gz KFJDHDSYYDFTJB-NVXWUHKLSA-N 2 0 306.450 2.934 20 10 DFCDRP CCOc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1O ZINC000263655627 427532537 /nfs/dbraw/zinc/53/25/37/427532537.db2.gz FRDMSTXHUUIQOR-UHFFFAOYSA-N 2 0 304.434 2.897 20 10 DFCDRP CCOc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1O ZINC000371403147 428387890 /nfs/dbraw/zinc/38/78/90/428387890.db2.gz KJHAWXLFGOXAAR-IXDOHACOSA-N 2 0 316.445 2.707 20 10 DFCDRP CC[C@@H](c1ccccc1O)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000366679032 429492534 /nfs/dbraw/zinc/49/25/34/429492534.db2.gz LZSNJPXABCPACT-WMZOPIPTSA-N 2 0 317.477 2.555 20 10 DFCDRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1O ZINC000155658502 522859972 /nfs/dbraw/zinc/85/99/72/522859972.db2.gz ZJQLFDRNCDFRRJ-FUHWJXTLSA-N 2 0 319.493 2.707 20 10 DFCDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000165966974 286443155 /nfs/dbraw/zinc/44/31/55/286443155.db2.gz ALTFZOWPQLPHGG-CRAIPNDOSA-N 2 0 307.482 2.760 20 10 DFCDRP CCN(CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000155852887 425928553 /nfs/dbraw/zinc/92/85/53/425928553.db2.gz NHZRPKIHJGHOBN-UHFFFAOYSA-N 2 0 317.477 2.738 20 10 DFCDRP CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)c(O)c1 ZINC000093770514 426357880 /nfs/dbraw/zinc/35/78/80/426357880.db2.gz DYVLKICJNGRIKL-HNNXBMFYSA-N 2 0 306.450 2.955 20 10 DFCDRP CCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1O ZINC000093639029 426358182 /nfs/dbraw/zinc/35/81/82/426358182.db2.gz ZEKGEENYDNRFEN-ZBFHGGJFSA-N 2 0 306.450 2.953 20 10 DFCDRP COCCN1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000154833778 426457497 /nfs/dbraw/zinc/45/74/97/426457497.db2.gz JFWGJZFCSXLOMO-OAHLLOKOSA-N 2 0 305.466 2.514 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000290630709 426808229 /nfs/dbraw/zinc/80/82/29/426808229.db2.gz XXFCGZQBXPJTED-ZBFHGGJFSA-N 2 0 304.434 2.707 20 10 DFCDRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(C)cc1O ZINC000282325577 426881121 /nfs/dbraw/zinc/88/11/21/426881121.db2.gz NUNJLVXQOSUONG-KRWDZBQOSA-N 2 0 319.493 2.767 20 10 DFCDRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1N(C)C ZINC000293173263 427233924 /nfs/dbraw/zinc/23/39/24/427233924.db2.gz SDHSFLDQACOZRK-SFHVURJKSA-N 2 0 301.478 2.979 20 10 DFCDRP Cc1ccc(O)c([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000185352932 427638887 /nfs/dbraw/zinc/63/88/87/427638887.db2.gz VHWVJWJAFHRATO-INIZCTEOSA-N 2 0 319.493 2.625 20 10 DFCDRP CCOc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1O ZINC000371403146 428388855 /nfs/dbraw/zinc/38/88/55/428388855.db2.gz KJHAWXLFGOXAAR-IKGGRYGDSA-N 2 0 316.445 2.707 20 10 DFCDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC000367757465 429712166 /nfs/dbraw/zinc/71/21/66/429712166.db2.gz ZIDNTMSAUGGCSQ-BMFZPTHFSA-N 2 0 324.852 2.729 20 10 DFCDRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268870207 278170660 /nfs/dbraw/zinc/17/06/60/278170660.db2.gz CZWVUGHIRUSKEL-CABCVRRESA-N 2 0 323.456 2.653 20 10 DFCDRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)ccc1O ZINC000185492767 333209252 /nfs/dbraw/zinc/20/92/52/333209252.db2.gz DRDAVUUZYKBGBE-ZIAGYGMSSA-N 2 0 322.424 2.683 20 10 DFCDRP COc1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000228671393 337078195 /nfs/dbraw/zinc/07/81/95/337078195.db2.gz QOBHZQKOWFIJGL-UONOGXRCSA-N 2 0 310.825 2.771 20 10 DFCDRP COc1cc(Cl)cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000184697723 337199879 /nfs/dbraw/zinc/19/98/79/337199879.db2.gz JEQMFMPPABASHY-ZDUSSCGKSA-N 2 0 324.852 2.972 20 10 DFCDRP CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000247882192 341370973 /nfs/dbraw/zinc/37/09/73/341370973.db2.gz BZFXTLZLVUWSMC-SUMWQHHRSA-N 2 0 320.408 2.650 20 10 DFCDRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000163259827 521710454 /nfs/dbraw/zinc/71/04/54/521710454.db2.gz BCDFYOOLIBAVEL-INIZCTEOSA-N 2 0 317.477 2.595 20 10 DFCDRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1O ZINC000155658394 522624926 /nfs/dbraw/zinc/62/49/26/522624926.db2.gz ZJQLFDRNCDFRRJ-WMZOPIPTSA-N 2 0 319.493 2.707 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093598101 193272111 /nfs/dbraw/zinc/27/21/11/193272111.db2.gz HIGJBCCKMXPHTC-HNNXBMFYSA-N 2 0 304.434 2.709 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(O)c1C ZINC000273299337 130105316 /nfs/dbraw/zinc/10/53/16/130105316.db2.gz AXPFZMFLJQNMBV-MRXNPFEDSA-N 2 0 319.493 2.686 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000093597465 426356591 /nfs/dbraw/zinc/35/65/91/426356591.db2.gz BKGZSNLGTWEYLH-HNNXBMFYSA-N 2 0 304.434 2.709 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(O)c1C ZINC000282165831 426844233 /nfs/dbraw/zinc/84/42/33/426844233.db2.gz DSNFDTQKGBXWHH-INIZCTEOSA-N 2 0 319.493 2.686 20 10 DFCDRP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000252865496 427197098 /nfs/dbraw/zinc/19/70/98/427197098.db2.gz QOBHZQKOWFIJGL-KGLIPLIRSA-N 2 0 310.825 2.771 20 10 DFCDRP CCCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC000292891321 427205630 /nfs/dbraw/zinc/20/56/30/427205630.db2.gz YXOKRMVMXYDVBA-SFHVURJKSA-N 2 0 304.434 2.709 20 10 DFCDRP C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(Br)cc1O ZINC000185142538 427602954 /nfs/dbraw/zinc/60/29/54/427602954.db2.gz IQCDRSXOZPBZSL-CMPLNLGQSA-N 2 0 313.239 2.900 20 10 DFCDRP CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)c1 ZINC000295101020 427691025 /nfs/dbraw/zinc/69/10/25/427691025.db2.gz UZAUOMYCSNJZNY-MQVJKMGUSA-N 2 0 304.434 2.896 20 10 DFCDRP Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1C ZINC000365547161 429338403 /nfs/dbraw/zinc/33/84/03/429338403.db2.gz BMJQKQYDEMYSFQ-FGTMMUONSA-N 2 0 300.446 2.925 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCCC[C@H]3CO2)c(O)c1C ZINC000375242464 337006496 /nfs/dbraw/zinc/00/64/96/337006496.db2.gz OJOFTUMWFRVWDM-YESZJQIVSA-N 2 0 318.461 2.913 20 10 DFCDRP COc1ccc(N2CCC[N@H+](CCC[NH+]3CCCC3)CC2)cc1 ZINC000193475609 337326795 /nfs/dbraw/zinc/32/67/95/337326795.db2.gz BXHLVMZYMAJVHG-UHFFFAOYSA-N 2 0 317.477 2.693 20 10 DFCDRP Cc1cc(O)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000530249360 340783825 /nfs/dbraw/zinc/78/38/25/340783825.db2.gz WQJMGLXPYPVIKB-GOSISDBHSA-N 2 0 318.461 2.600 20 10 DFCDRP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1O ZINC000155895358 522562964 /nfs/dbraw/zinc/56/29/64/522562964.db2.gz DITVXUYNTBRICZ-QAPCUYQASA-N 2 0 318.461 2.934 20 10 DFCDRP CC(=O)c1cc(F)cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1O ZINC000079437702 185171393 /nfs/dbraw/zinc/17/13/93/185171393.db2.gz DLMZTXAIUVMIBG-UHFFFAOYSA-N 2 0 322.424 2.898 20 10 DFCDRP CCCOc1ccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@H]32)c(O)c1 ZINC000272696277 130054161 /nfs/dbraw/zinc/05/41/61/130054161.db2.gz XWIJDVRSRXBFTJ-RHSMWYFYSA-N 2 0 304.434 2.707 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(O)c1C ZINC000273615483 130145504 /nfs/dbraw/zinc/14/55/04/130145504.db2.gz XCNDIUFDRHNMRM-QGZVFWFLSA-N 2 0 319.493 2.687 20 10 DFCDRP C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000293770173 543021177 /nfs/dbraw/zinc/02/11/77/543021177.db2.gz SOKBRWYDXFAICR-GJZGRUSLSA-N 2 0 323.456 2.511 20 10 DFCDRP COc1ccc(N2CCC([NH2+]CC3CC[NH+](C)CC3)CC2)cc1 ZINC000126277493 426013554 /nfs/dbraw/zinc/01/35/54/426013554.db2.gz PVMSVIDGSUWEPM-UHFFFAOYSA-N 2 0 317.477 2.595 20 10 DFCDRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268870210 427139945 /nfs/dbraw/zinc/13/99/45/427139945.db2.gz CZWVUGHIRUSKEL-LSDHHAIUSA-N 2 0 323.456 2.653 20 10 DFCDRP COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1O ZINC000184698449 427519946 /nfs/dbraw/zinc/51/99/46/427519946.db2.gz IYDYHHQKHGMCBL-SMDDNHRTSA-N 2 0 312.841 2.969 20 10 DFCDRP COc1ccc(O)c([C@H](C)[NH2+]CCCNc2ccccn2)c1 ZINC000185659597 427685785 /nfs/dbraw/zinc/68/57/85/427685785.db2.gz ABIKJDGHIBNVRR-ZDUSSCGKSA-N 2 0 301.390 2.949 20 10 DFCDRP COc1ccc(O)c([C@H](C)[N@H+]2C[C@@H]3[C@H]4CCCC[NH+]4C[C@H]3C2)c1 ZINC000369876544 428080641 /nfs/dbraw/zinc/08/06/41/428080641.db2.gz ATDXGUIIEBUSEL-DFEHZGFQSA-N 2 0 316.445 2.878 20 10 DFCDRP COc1ccc(O)c([C@H](C)[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000369876545 428082446 /nfs/dbraw/zinc/08/24/46/428082446.db2.gz ATDXGUIIEBUSEL-LBTBCDHLSA-N 2 0 316.445 2.878 20 10 DFCDRP Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1C ZINC000365547164 429338745 /nfs/dbraw/zinc/33/87/45/429338745.db2.gz BMJQKQYDEMYSFQ-SQNIBIBYSA-N 2 0 300.446 2.925 20 10 DFCDRP O=C(C=Cc1c[nH]cn1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000492871290 429634798 /nfs/dbraw/zinc/63/47/98/429634798.db2.gz XFLZSWUUNBLNHE-HJWRWDBZSA-N 2 0 310.401 2.552 20 10 DFCDRP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000194261912 337088446 /nfs/dbraw/zinc/08/84/46/337088446.db2.gz VSCBBOQRJYDLBJ-SJLPKXTDSA-N 2 0 319.493 2.623 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(O)c1C ZINC000274659111 130251924 /nfs/dbraw/zinc/25/19/24/130251924.db2.gz VGUIOTVASGWLKG-WBVHZDCISA-N 2 0 319.493 2.686 20 10 DFCDRP Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(O)c1 ZINC000283979249 131037829 /nfs/dbraw/zinc/03/78/29/131037829.db2.gz GWRGYNYJUFDUTI-KRWDZBQOSA-N 2 0 319.493 2.687 20 10 DFCDRP Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(O)c1 ZINC000284206110 131059262 /nfs/dbraw/zinc/05/92/62/131059262.db2.gz SKPVPSZBOMCVMC-MRXNPFEDSA-N 2 0 319.493 2.686 20 10 DFCDRP Cc1cc(O)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1C ZINC000071966686 426006786 /nfs/dbraw/zinc/00/67/86/426006786.db2.gz HVGLFDAJMAEHDO-UHFFFAOYSA-N 2 0 318.461 2.553 20 10 DFCDRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OCC)ccc2O)C1 ZINC000093742414 426358649 /nfs/dbraw/zinc/35/86/49/426358649.db2.gz VQXLGGNOPMXRFQ-OAHLLOKOSA-N 2 0 306.450 2.955 20 10 DFCDRP COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000246109808 426799831 /nfs/dbraw/zinc/79/98/31/426799831.db2.gz JSLHWKHADNVRMY-WMLDXEAASA-N 2 0 316.445 2.850 20 10 DFCDRP COc1cc(O)c(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1OC ZINC000179826640 426818943 /nfs/dbraw/zinc/81/89/43/426818943.db2.gz RSQLVRPNALJLMQ-UHFFFAOYSA-N 2 0 322.449 2.573 20 10 DFCDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293603011 427376662 /nfs/dbraw/zinc/37/66/62/427376662.db2.gz GDXSXOHZFDWNML-KRWDZBQOSA-N 2 0 319.493 2.687 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC000278789101 427452358 /nfs/dbraw/zinc/45/23/58/427452358.db2.gz YQKIPCXGWDOZOP-HOTGVXAUSA-N 2 0 306.450 2.852 20 10 DFCDRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCc3cccc(O)c32)C[C@H](C)O1 ZINC000297869532 427473247 /nfs/dbraw/zinc/47/32/47/427473247.db2.gz UNQYCRSJSOGMKH-UXLLHSPISA-N 2 0 318.461 2.859 20 10 DFCDRP COc1ccc(O)c([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278546115 427442966 /nfs/dbraw/zinc/44/29/66/427442966.db2.gz VIVFCPOMLNDHGP-ZDUSSCGKSA-N 2 0 304.434 2.926 20 10 DFCDRP COc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000185074919 427589762 /nfs/dbraw/zinc/58/97/62/427589762.db2.gz XDHYNKBJCXSSEY-CYBMUJFWSA-N 2 0 304.434 2.926 20 10 DFCDRP COc1cc(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000294718641 427648567 /nfs/dbraw/zinc/64/85/67/427648567.db2.gz CKOHOMJSSINJHQ-AGUYFDCRSA-N 2 0 310.825 2.769 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000245867549 521343779 /nfs/dbraw/zinc/34/37/79/521343779.db2.gz GJSIRCUQTQOTLF-HOCLYGCPSA-N 2 0 304.434 2.707 20 10 DFCDRP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1O ZINC000155895471 522811426 /nfs/dbraw/zinc/81/14/26/522811426.db2.gz DITVXUYNTBRICZ-CRAIPNDOSA-N 2 0 318.461 2.934 20 10 DFCDRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268860934 299288086 /nfs/dbraw/zinc/28/80/86/299288086.db2.gz BWSXTYBVFYSSEB-HNNXBMFYSA-N 2 0 323.456 2.655 20 10 DFCDRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1O ZINC000274960032 130276906 /nfs/dbraw/zinc/27/69/06/130276906.db2.gz WKZFUBUKPXRCRP-SCTDSRPQSA-N 2 0 318.461 2.811 20 10 DFCDRP COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cncn3C)C2)cc1C ZINC000275530606 130329686 /nfs/dbraw/zinc/32/96/86/130329686.db2.gz LWPKQHOJVYOKBB-CRAIPNDOSA-N 2 0 315.417 2.747 20 10 DFCDRP CN(C)c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298487537 132065104 /nfs/dbraw/zinc/06/51/04/132065104.db2.gz PTFQGFGDQWEWTK-UHFFFAOYSA-N 2 0 310.445 2.906 20 10 DFCDRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000067452772 425910758 /nfs/dbraw/zinc/91/07/58/425910758.db2.gz BEPDWVDTXHAEPG-IAGOWNOFSA-N 2 0 320.477 2.983 20 10 DFCDRP Cc1cc(O)c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000121103088 426322330 /nfs/dbraw/zinc/32/23/30/426322330.db2.gz MMHDICCPSYUZGN-INIZCTEOSA-N 2 0 320.477 2.534 20 10 DFCDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(C)cc1O ZINC000280294038 426542181 /nfs/dbraw/zinc/54/21/81/426542181.db2.gz ZKQXIPIDGGAQOK-WMZOPIPTSA-N 2 0 320.477 2.978 20 10 DFCDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(C)cc1O ZINC000280294025 426542876 /nfs/dbraw/zinc/54/28/76/426542876.db2.gz ZKQXIPIDGGAQOK-FUHWJXTLSA-N 2 0 320.477 2.978 20 10 DFCDRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C)cc1O ZINC000280119744 426503499 /nfs/dbraw/zinc/50/34/99/426503499.db2.gz OGJSFIYCBSROPM-FUHWJXTLSA-N 2 0 319.493 2.625 20 10 DFCDRP COc1cc(Cl)cc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1O ZINC000273699575 426710293 /nfs/dbraw/zinc/71/02/93/426710293.db2.gz CZKHZHSHBMJERQ-SMDDNHRTSA-N 2 0 310.825 2.580 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1O ZINC000290630703 426809390 /nfs/dbraw/zinc/80/93/90/426809390.db2.gz XXFCGZQBXPJTED-GDBMZVCRSA-N 2 0 304.434 2.707 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293524502 427352097 /nfs/dbraw/zinc/35/20/97/427352097.db2.gz BHSQAFSEONSOTN-GOSISDBHSA-N 2 0 304.434 2.709 20 10 DFCDRP C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Br)cc1O ZINC000185142502 427602493 /nfs/dbraw/zinc/60/24/93/427602493.db2.gz IQCDRSXOZPBZSL-JQWIXIFHSA-N 2 0 313.239 2.900 20 10 DFCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185345020 427636817 /nfs/dbraw/zinc/63/68/17/427636817.db2.gz MDCOEBISWXSQQJ-SJORKVTESA-N 2 0 319.493 2.625 20 10 DFCDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC000367757469 429712656 /nfs/dbraw/zinc/71/26/56/429712656.db2.gz ZIDNTMSAUGGCSQ-KBMXLJTQSA-N 2 0 324.852 2.729 20 10 DFCDRP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000368326043 429832247 /nfs/dbraw/zinc/83/22/47/429832247.db2.gz DMKRZOOZZKCETK-HZPDHXFCSA-N 2 0 317.477 2.520 20 10 DFCDRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(C)cc1O ZINC000280034628 280186840 /nfs/dbraw/zinc/18/68/40/280186840.db2.gz IICOLGRNGNKPIX-GOSISDBHSA-N 2 0 319.493 2.769 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(O)c1 ZINC000194261524 337089399 /nfs/dbraw/zinc/08/93/99/337089399.db2.gz YRYLGKBHLHLTQB-FUHWJXTLSA-N 2 0 319.493 2.623 20 10 DFCDRP CN(C)c1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC000182088071 337184204 /nfs/dbraw/zinc/18/42/04/337184204.db2.gz FMBYKYZVZUTLGN-QGZVFWFLSA-N 2 0 312.461 2.941 20 10 DFCDRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000236860060 340665773 /nfs/dbraw/zinc/66/57/73/340665773.db2.gz PYECEPHRMSRQNQ-ZDUSSCGKSA-N 2 0 308.422 2.721 20 10 DFCDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1O ZINC000155774346 522579622 /nfs/dbraw/zinc/57/96/22/522579622.db2.gz AUHPDSFZZFWZCD-WBVHZDCISA-N 2 0 306.450 2.670 20 10 DFCDRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc2ccccc2c1O ZINC000273435210 130120359 /nfs/dbraw/zinc/12/03/59/130120359.db2.gz WUJGOUGZHKEGIG-GDBMZVCRSA-N 2 0 314.429 2.653 20 10 DFCDRP COc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000067452770 425910849 /nfs/dbraw/zinc/91/08/49/425910849.db2.gz BEPDWVDTXHAEPG-CALCHBBNSA-N 2 0 320.477 2.983 20 10 DFCDRP COc1ccc(O)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290295097 426733793 /nfs/dbraw/zinc/73/37/93/426733793.db2.gz ASQFVQVWTCSBEV-OAHLLOKOSA-N 2 0 304.434 2.565 20 10 DFCDRP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1O ZINC000290298830 426737229 /nfs/dbraw/zinc/73/72/29/426737229.db2.gz BBFBNRCSAOQPGF-IUODEOHRSA-N 2 0 324.852 2.970 20 10 DFCDRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccccc3O)CC2)C[C@@H](C)O1 ZINC000179564187 426801565 /nfs/dbraw/zinc/80/15/65/426801565.db2.gz OLHIFVNYLGWVTA-HZPDHXFCSA-N 2 0 318.461 2.713 20 10 DFCDRP COc1cc(O)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC000276868241 427126880 /nfs/dbraw/zinc/12/68/80/427126880.db2.gz YCTPEKRPKJGWQE-UHFFFAOYSA-N 2 0 322.449 2.621 20 10 DFCDRP COc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1O ZINC000298119129 427526576 /nfs/dbraw/zinc/52/65/76/427526576.db2.gz OZXUQFJABGDYOW-UHFFFAOYSA-N 2 0 313.401 2.554 20 10 DFCDRP O=C(C=Cc1c[nH]cn1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000492871289 429634666 /nfs/dbraw/zinc/63/46/66/429634666.db2.gz XFLZSWUUNBLNHE-CMDGGOBGSA-N 2 0 310.401 2.552 20 10 DFCDRP COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000368806448 429895913 /nfs/dbraw/zinc/89/59/13/429895913.db2.gz NVSXTJJBAIKRLO-VBQJREDUSA-N 2 0 304.434 2.878 20 10 DFCDRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCc3cccc(O)c32)C[C@@H](C)O1 ZINC000297869527 278747500 /nfs/dbraw/zinc/74/75/00/278747500.db2.gz UNQYCRSJSOGMKH-INMHGKMJSA-N 2 0 318.461 2.859 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000156095451 521344754 /nfs/dbraw/zinc/34/47/54/521344754.db2.gz GJSIRCUQTQOTLF-ZBFHGGJFSA-N 2 0 304.434 2.707 20 10 DFCDRP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1O ZINC000155895254 522813810 /nfs/dbraw/zinc/81/38/10/522813810.db2.gz DITVXUYNTBRICZ-MAUKXSAKSA-N 2 0 318.461 2.934 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(O)c1C ZINC000274659101 130252159 /nfs/dbraw/zinc/25/21/59/130252159.db2.gz VGUIOTVASGWLKG-DOTOQJQBSA-N 2 0 319.493 2.686 20 10 DFCDRP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000293770179 543021411 /nfs/dbraw/zinc/02/14/11/543021411.db2.gz SOKBRWYDXFAICR-HUUCEWRRSA-N 2 0 323.456 2.511 20 10 DFCDRP COc1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000252865493 427197305 /nfs/dbraw/zinc/19/73/05/427197305.db2.gz QOBHZQKOWFIJGL-KBPBESRZSA-N 2 0 310.825 2.771 20 10 DFCDRP CC[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccccc1O ZINC000278476815 427442222 /nfs/dbraw/zinc/44/22/22/427442222.db2.gz KFJDHDSYYDFTJB-RDJZCZTQSA-N 2 0 306.450 2.934 20 10 DFCDRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000271806180 427584942 /nfs/dbraw/zinc/58/49/42/427584942.db2.gz AYEKBNLZDKRGQU-UHFFFAOYSA-N 2 0 311.223 2.506 20 10 DFCDRP Cc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000372190061 428422691 /nfs/dbraw/zinc/42/26/91/428422691.db2.gz AUSXUBSNMHWQLA-ZIFCJYIRSA-N 2 0 318.461 2.693 20 10 DFCDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000180415537 521713843 /nfs/dbraw/zinc/71/38/43/521713843.db2.gz KKDYNTZKCGQQNL-UKRRQHHQSA-N 2 0 322.449 2.572 20 10 DFCDRP Cc1cc(C)c([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(O)c1 ZINC000283849602 131028893 /nfs/dbraw/zinc/02/88/93/131028893.db2.gz BDXSMHBVZISDSF-INIZCTEOSA-N 2 0 319.493 2.686 20 10 DFCDRP CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000093639573 426358289 /nfs/dbraw/zinc/35/82/89/426358289.db2.gz WBLHCNCMRDYMOW-RHSMWYFYSA-N 2 0 306.450 2.953 20 10 DFCDRP CCCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC000292891314 427203663 /nfs/dbraw/zinc/20/36/63/427203663.db2.gz YXOKRMVMXYDVBA-GOSISDBHSA-N 2 0 304.434 2.709 20 10 DFCDRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1O ZINC000183620933 427305144 /nfs/dbraw/zinc/30/51/44/427305144.db2.gz AIOTVDYEOPKIFP-LJHODMEESA-N 2 0 318.461 2.811 20 10 DFCDRP COc1ccc(O)c([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278546112 427443002 /nfs/dbraw/zinc/44/30/02/427443002.db2.gz VIVFCPOMLNDHGP-CYBMUJFWSA-N 2 0 304.434 2.926 20 10 DFCDRP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000185491723 427660234 /nfs/dbraw/zinc/66/02/34/427660234.db2.gz KCEBZYXOMNXVRF-JKSUJKDBSA-N 2 0 318.461 2.852 20 10 DFCDRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(C)cc1O ZINC000279996337 427726795 /nfs/dbraw/zinc/72/67/95/427726795.db2.gz FRMJFCOVCQBCOB-AEFFLSMTSA-N 2 0 319.493 2.767 20 10 DFCDRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(C)cc1O ZINC000279996341 427726830 /nfs/dbraw/zinc/72/68/30/427726830.db2.gz FRMJFCOVCQBCOB-FUHWJXTLSA-N 2 0 319.493 2.767 20 10 DFCDRP COc1ccc(O)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000369720220 428044821 /nfs/dbraw/zinc/04/48/21/428044821.db2.gz GACKOGIDFSZUGK-UHFFFAOYSA-N 2 0 304.434 2.709 20 10 DFCDRP COc1ccc(O)c([C@H](C)[N@H+]2C[C@H]3[C@@H](C[NH+]4CCCC[C@@H]34)C2)c1 ZINC000369876546 428081369 /nfs/dbraw/zinc/08/13/69/428081369.db2.gz ATDXGUIIEBUSEL-USJZOSNVSA-N 2 0 316.445 2.878 20 10 DFCDRP Cc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000372190059 428421891 /nfs/dbraw/zinc/42/18/91/428421891.db2.gz AUSXUBSNMHWQLA-YQVWRLOYSA-N 2 0 318.461 2.693 20 10 DFCDRP COc1ccc(N2CCC([NH2+][C@H](C)CC[NH+](C)C)CC2)cc1 ZINC000361245992 428551044 /nfs/dbraw/zinc/55/10/44/428551044.db2.gz KPWRKUZHVKBGTP-OAHLLOKOSA-N 2 0 305.466 2.594 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000368326216 429831786 /nfs/dbraw/zinc/83/17/86/429831786.db2.gz FBEPYSCAYFWOTM-HZPDHXFCSA-N 2 0 317.477 2.520 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1O ZINC000368966970 429904686 /nfs/dbraw/zinc/90/46/86/429904686.db2.gz SZZGREPUKMEVCY-UHFFFAOYSA-N 2 0 304.434 2.851 20 10 DFCDRP [NH3+][C@@H]1CCc2ccccc2N(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662302016 431040800 /nfs/dbraw/zinc/04/08/00/431040800.db2.gz VKNPLJQOHZSJSN-GOSISDBHSA-N 2 0 307.441 2.612 20 10 DFCDRP Cc1cc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(O)c1 ZINC000293796490 335117267 /nfs/dbraw/zinc/11/72/67/335117267.db2.gz QWSXTXWLIMPXCQ-DLBZAZTESA-N 2 0 320.477 2.897 20 10 DFCDRP CN(C)c1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1F ZINC000375475911 337011896 /nfs/dbraw/zinc/01/18/96/337011896.db2.gz YLCSVVHQTYGTJN-UHFFFAOYSA-N 2 0 305.441 2.952 20 10 DFCDRP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000194261899 337088428 /nfs/dbraw/zinc/08/84/28/337088428.db2.gz VSCBBOQRJYDLBJ-WMZOPIPTSA-N 2 0 319.493 2.623 20 10 DFCDRP COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000368806449 524769762 /nfs/dbraw/zinc/76/97/62/524769762.db2.gz NVSXTJJBAIKRLO-ZQIUZPCESA-N 2 0 304.434 2.878 20 10 DFCDRP COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000092066781 193152018 /nfs/dbraw/zinc/15/20/18/193152018.db2.gz JSLHWKHADNVRMY-RHSMWYFYSA-N 2 0 316.445 2.850 20 10 DFCDRP CCCOc1ccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@H]32)c(O)c1 ZINC000272696278 130053912 /nfs/dbraw/zinc/05/39/12/130053912.db2.gz XWIJDVRSRXBFTJ-WMLDXEAASA-N 2 0 304.434 2.707 20 10 DFCDRP CCCOc1ccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@@H]32)c(O)c1 ZINC000272696279 130054937 /nfs/dbraw/zinc/05/49/37/130054937.db2.gz XWIJDVRSRXBFTJ-YOEHRIQHSA-N 2 0 304.434 2.707 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(O)c1 ZINC000273511555 130130332 /nfs/dbraw/zinc/13/03/32/130130332.db2.gz RSJJDAQLIGVZNJ-JCGIZDLHSA-N 2 0 318.461 2.729 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(O)c1C ZINC000273609698 130144035 /nfs/dbraw/zinc/14/40/35/130144035.db2.gz VMZGUWUMJIHSNS-MRXNPFEDSA-N 2 0 319.493 2.686 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(O)c1C ZINC000273619818 130144809 /nfs/dbraw/zinc/14/48/09/130144809.db2.gz YQLQHIZPWNTZME-DLBZAZTESA-N 2 0 320.477 2.897 20 10 DFCDRP COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1O ZINC000290409295 426758756 /nfs/dbraw/zinc/75/87/56/426758756.db2.gz JXTMHPUWHKJIFC-SMDDNHRTSA-N 2 0 312.841 2.826 20 10 DFCDRP Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246001474 426790668 /nfs/dbraw/zinc/79/06/68/426790668.db2.gz RXGRYKOXHGVWGI-SUMWQHHRSA-N 2 0 304.409 2.980 20 10 DFCDRP CCOc1ccc(O)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278469957 427439600 /nfs/dbraw/zinc/43/96/00/427439600.db2.gz GYNPSUIIODBWGW-UHFFFAOYSA-N 2 0 304.434 2.755 20 10 DFCDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185014905 427577086 /nfs/dbraw/zinc/57/70/86/427577086.db2.gz VNZSEUUQGFTQFY-OAHLLOKOSA-N 2 0 323.456 2.600 20 10 DFCDRP Cc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000185491664 427659673 /nfs/dbraw/zinc/65/96/73/427659673.db2.gz KCEBZYXOMNXVRF-CVEARBPZSA-N 2 0 318.461 2.852 20 10 DFCDRP Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1C ZINC000365547162 429339253 /nfs/dbraw/zinc/33/92/53/429339253.db2.gz BMJQKQYDEMYSFQ-KURKYZTESA-N 2 0 300.446 2.925 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000367472255 429658374 /nfs/dbraw/zinc/65/83/74/429658374.db2.gz HGMGASMYAGXTNL-NJAFHUGGSA-N 2 0 316.445 2.707 20 10 DFCDRP COc1cc(Cl)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000184703150 333364835 /nfs/dbraw/zinc/36/48/35/333364835.db2.gz RIARCGSRYMQMQH-WFASDCNBSA-N 2 0 324.852 2.970 20 10 DFCDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(F)ccc1O ZINC000273475376 334048114 /nfs/dbraw/zinc/04/81/14/334048114.db2.gz KPFDNMGAWRDXQJ-BJOOFOGMSA-N 2 0 322.424 2.560 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(O)c1 ZINC000194261482 337089472 /nfs/dbraw/zinc/08/94/72/337089472.db2.gz YRYLGKBHLHLTQB-AEFFLSMTSA-N 2 0 319.493 2.623 20 10 DFCDRP Oc1ccc(F)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000180213371 526348881 /nfs/dbraw/zinc/34/88/81/526348881.db2.gz XOLGXICBGQZBAC-UHFFFAOYSA-N 2 0 322.424 2.608 20 10 DFCDRP Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180283981 526349824 /nfs/dbraw/zinc/34/98/24/526349824.db2.gz RXGRYKOXHGVWGI-CXAGYDPISA-N 2 0 304.409 2.980 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(O)c1C ZINC000273619825 130145279 /nfs/dbraw/zinc/14/52/79/130145279.db2.gz YQLQHIZPWNTZME-IRXDYDNUSA-N 2 0 320.477 2.897 20 10 DFCDRP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(OC)c(OC)cc1O ZINC000289403462 131383497 /nfs/dbraw/zinc/38/34/97/131383497.db2.gz GTWAGSMKNSUWKB-UHFFFAOYSA-N 2 0 322.449 2.717 20 10 DFCDRP C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000293770167 543021121 /nfs/dbraw/zinc/02/11/21/543021121.db2.gz SOKBRWYDXFAICR-CABCVRRESA-N 2 0 323.456 2.511 20 10 DFCDRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccccc1O ZINC000155578497 425921382 /nfs/dbraw/zinc/92/13/82/425921382.db2.gz UJVUKNOOGKVRFB-KRWDZBQOSA-N 2 0 306.450 2.934 20 10 DFCDRP CCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1O ZINC000093639031 426358262 /nfs/dbraw/zinc/35/82/62/426358262.db2.gz ZEKGEENYDNRFEN-GDBMZVCRSA-N 2 0 306.450 2.953 20 10 DFCDRP CCOc1ccc(O)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289821724 426676011 /nfs/dbraw/zinc/67/60/11/426676011.db2.gz UALXJIDMJDREIO-XYPWUTKMSA-N 2 0 304.434 2.848 20 10 DFCDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179582314 426801938 /nfs/dbraw/zinc/80/19/38/426801938.db2.gz MAAOIFSWQASGEJ-UHFFFAOYSA-N 2 0 320.477 2.963 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(O)c1 ZINC000185353191 427640105 /nfs/dbraw/zinc/64/01/05/427640105.db2.gz GERONIJXCQQYHN-MRXNPFEDSA-N 2 0 319.493 2.625 20 10 DFCDRP C[N@H+](Cc1cc(F)ccc1O)C1CC[NH+](C2CCOCC2)CC1 ZINC000361048805 428532642 /nfs/dbraw/zinc/53/26/42/428532642.db2.gz AQEPNYGPANBBKL-UHFFFAOYSA-N 2 0 322.424 2.607 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000367472254 429656283 /nfs/dbraw/zinc/65/62/83/429656283.db2.gz HGMGASMYAGXTNL-BPQIPLTHSA-N 2 0 316.445 2.707 20 10 DFCDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC000367757468 429712258 /nfs/dbraw/zinc/71/22/58/429712258.db2.gz ZIDNTMSAUGGCSQ-FVQBIDKESA-N 2 0 324.852 2.729 20 10 DFCDRP COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000228671025 337078139 /nfs/dbraw/zinc/07/81/39/337078139.db2.gz WILFZJQRORRYKS-LLVKDONJSA-N 2 0 310.825 2.628 20 10 DFCDRP COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000228671019 337078151 /nfs/dbraw/zinc/07/81/51/337078151.db2.gz WILFZJQRORRYKS-NSHDSACASA-N 2 0 310.825 2.628 20 10 DFCDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000227438165 337205070 /nfs/dbraw/zinc/20/50/70/337205070.db2.gz CKZVFPFHLBDKRM-NSHDSACASA-N 2 0 313.239 2.586 20 10 DFCDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273396173 535697729 /nfs/dbraw/zinc/69/77/29/535697729.db2.gz LWDWZJCUKPOVMD-QGZVFWFLSA-N 2 0 319.493 2.687 20 10 DFCDRP CCOc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1O ZINC000092381100 185314762 /nfs/dbraw/zinc/31/47/62/185314762.db2.gz IWNUGDCQZPYARG-UHFFFAOYSA-N 2 0 306.450 2.955 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000093537652 398640769 /nfs/dbraw/zinc/64/07/69/398640769.db2.gz HGMGASMYAGXTNL-KBAYOESNSA-N 2 0 316.445 2.707 20 10 DFCDRP COc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000092066783 193152780 /nfs/dbraw/zinc/15/27/80/193152780.db2.gz JSLHWKHADNVRMY-PBHICJAKSA-N 2 0 316.445 2.850 20 10 DFCDRP CCCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(O)c1 ZINC000092253791 193180308 /nfs/dbraw/zinc/18/03/08/193180308.db2.gz UJZRXEDSLVQWOB-OAHLLOKOSA-N 2 0 306.450 2.955 20 10 DFCDRP Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(O)c1 ZINC000283979254 131037847 /nfs/dbraw/zinc/03/78/47/131037847.db2.gz GWRGYNYJUFDUTI-QGZVFWFLSA-N 2 0 319.493 2.687 20 10 DFCDRP Cc1cc(C)c([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(O)c1 ZINC000285020740 131131634 /nfs/dbraw/zinc/13/16/34/131131634.db2.gz HKFAQIRAGQQODZ-MRXNPFEDSA-N 2 0 319.493 2.686 20 10 DFCDRP Oc1cccc(Cl)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134109438 426185215 /nfs/dbraw/zinc/18/52/15/426185215.db2.gz OUOQVUPXDKMEPR-UHFFFAOYSA-N 2 0 324.852 2.590 20 10 DFCDRP CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c(O)c1 ZINC000290427434 426763045 /nfs/dbraw/zinc/76/30/45/426763045.db2.gz LESZTPBBHCRWLI-WMLDXEAASA-N 2 0 306.450 2.953 20 10 DFCDRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268870208 427139982 /nfs/dbraw/zinc/13/99/82/427139982.db2.gz CZWVUGHIRUSKEL-GJZGRUSLSA-N 2 0 323.456 2.653 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC000278789096 427451802 /nfs/dbraw/zinc/45/18/02/427451802.db2.gz YQKIPCXGWDOZOP-CVEARBPZSA-N 2 0 306.450 2.852 20 10 DFCDRP COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1O ZINC000184698469 427520473 /nfs/dbraw/zinc/52/04/73/427520473.db2.gz IYDYHHQKHGMCBL-RISCZKNCSA-N 2 0 312.841 2.969 20 10 DFCDRP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000185491682 427660177 /nfs/dbraw/zinc/66/01/77/427660177.db2.gz KCEBZYXOMNXVRF-HOTGVXAUSA-N 2 0 318.461 2.852 20 10 DFCDRP COc1ccc(O)c([C@H](C)[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000369876547 428081911 /nfs/dbraw/zinc/08/19/11/428081911.db2.gz ATDXGUIIEBUSEL-ZZCKCESHSA-N 2 0 316.445 2.878 20 10 DFCDRP COc1cccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1O ZINC000373227955 428523654 /nfs/dbraw/zinc/52/36/54/428523654.db2.gz LCKSARIYZUQHSN-AWEZNQCLSA-N 2 0 301.390 2.514 20 10 DFCDRP Oc1cccc(Cl)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247578 430108494 /nfs/dbraw/zinc/10/84/94/430108494.db2.gz AVDVUTAKSRARSJ-CQSZACIVSA-N 2 0 324.852 2.636 20 10 DFCDRP CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc(C)cc1O ZINC000366859334 335221652 /nfs/dbraw/zinc/22/16/52/335221652.db2.gz TZOOYGPUAWFXAS-UXLLHSPISA-N 2 0 304.434 2.605 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCCC[C@H]3CO2)c(O)c1C ZINC000375242463 337006379 /nfs/dbraw/zinc/00/63/79/337006379.db2.gz OJOFTUMWFRVWDM-ULQDDVLXSA-N 2 0 318.461 2.913 20 10 DFCDRP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000194261929 337088414 /nfs/dbraw/zinc/08/84/14/337088414.db2.gz VSCBBOQRJYDLBJ-FUHWJXTLSA-N 2 0 319.493 2.623 20 10 DFCDRP CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000247882191 341370983 /nfs/dbraw/zinc/37/09/83/341370983.db2.gz BZFXTLZLVUWSMC-GUYCJALGSA-N 2 0 320.408 2.650 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(O)c1C ZINC000273299334 130104832 /nfs/dbraw/zinc/10/48/32/130104832.db2.gz AXPFZMFLJQNMBV-INIZCTEOSA-N 2 0 319.493 2.686 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(O)c1 ZINC000273511557 130131206 /nfs/dbraw/zinc/13/12/06/130131206.db2.gz RSJJDAQLIGVZNJ-WBAXXEDZSA-N 2 0 318.461 2.729 20 10 DFCDRP CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000076274273 426106289 /nfs/dbraw/zinc/10/62/89/426106289.db2.gz PHNRBLHRUDEPEP-UHFFFAOYSA-N 2 0 300.830 2.876 20 10 DFCDRP Oc1ccc(Cl)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134095919 426185065 /nfs/dbraw/zinc/18/50/65/426185065.db2.gz NDOPOBYPXOLGMT-UHFFFAOYSA-N 2 0 324.852 2.590 20 10 DFCDRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(C)cc1O ZINC000280207884 426520367 /nfs/dbraw/zinc/52/03/67/426520367.db2.gz TXHQQGMDDLAJMS-GOSISDBHSA-N 2 0 319.493 2.769 20 10 DFCDRP CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c(O)c1 ZINC000290427432 426761577 /nfs/dbraw/zinc/76/15/77/426761577.db2.gz LESZTPBBHCRWLI-RHSMWYFYSA-N 2 0 306.450 2.953 20 10 DFCDRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000183463903 427272912 /nfs/dbraw/zinc/27/29/12/427272912.db2.gz KMYOJRDYFPQJBX-OAGGEKHMSA-N 2 0 306.450 2.932 20 10 DFCDRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000183463886 427273367 /nfs/dbraw/zinc/27/33/67/427273367.db2.gz KMYOJRDYFPQJBX-JYJNAYRXSA-N 2 0 306.450 2.932 20 10 DFCDRP CC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184700346 427521793 /nfs/dbraw/zinc/52/17/93/427521793.db2.gz HFHQYEVXDRNEGP-GFCCVEGCSA-N 2 0 312.841 2.828 20 10 DFCDRP Cc1cc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(O)c1 ZINC000293796492 335117111 /nfs/dbraw/zinc/11/71/11/335117111.db2.gz QWSXTXWLIMPXCQ-IAGOWNOFSA-N 2 0 320.477 2.897 20 10 DFCDRP Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000368326042 336842444 /nfs/dbraw/zinc/84/24/44/336842444.db2.gz DMKRZOOZZKCETK-HOTGVXAUSA-N 2 0 317.477 2.520 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)c(O)c1C ZINC000375242461 337006443 /nfs/dbraw/zinc/00/64/43/337006443.db2.gz OJOFTUMWFRVWDM-BBWFWOEESA-N 2 0 318.461 2.913 20 10 DFCDRP Oc1ccc(Cl)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248343 340783745 /nfs/dbraw/zinc/78/37/45/340783745.db2.gz JKPHYNUHIIREKD-MRXNPFEDSA-N 2 0 324.852 2.636 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000245867544 521344683 /nfs/dbraw/zinc/34/46/83/521344683.db2.gz GJSIRCUQTQOTLF-GOEBONIOSA-N 2 0 304.434 2.707 20 10 DFCDRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1O ZINC000155895130 522562856 /nfs/dbraw/zinc/56/28/56/522562856.db2.gz DITVXUYNTBRICZ-YJBOKZPZSA-N 2 0 318.461 2.934 20 10 DFCDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1O ZINC000155774461 522826877 /nfs/dbraw/zinc/82/68/77/522826877.db2.gz AUHPDSFZZFWZCD-NVXWUHKLSA-N 2 0 306.450 2.670 20 10 DFCDRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1O ZINC000155658293 522846563 /nfs/dbraw/zinc/84/65/63/522846563.db2.gz ZJQLFDRNCDFRRJ-SJLPKXTDSA-N 2 0 319.493 2.707 20 10 DFCDRP CCCOc1ccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)c(O)c1 ZINC000272696276 130054533 /nfs/dbraw/zinc/05/45/33/130054533.db2.gz XWIJDVRSRXBFTJ-PBHICJAKSA-N 2 0 304.434 2.707 20 10 DFCDRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(C)cc1O ZINC000280144628 130786093 /nfs/dbraw/zinc/78/60/93/130786093.db2.gz PWDIUXXDXAPIBD-GOSISDBHSA-N 2 0 319.493 2.767 20 10 DFCDRP CC(=O)c1cc(F)cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000285439738 131168941 /nfs/dbraw/zinc/16/89/41/131168941.db2.gz IEZRHNIYEYKXKB-XYPWUTKMSA-N 2 0 320.408 2.791 20 10 DFCDRP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000245573208 426752239 /nfs/dbraw/zinc/75/22/39/426752239.db2.gz ACOUFCDELIILHY-QZTJIDSGSA-N 2 0 318.461 2.858 20 10 DFCDRP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1N(C)C ZINC000293173257 427234185 /nfs/dbraw/zinc/23/41/85/427234185.db2.gz SDHSFLDQACOZRK-GOSISDBHSA-N 2 0 301.478 2.979 20 10 DFCDRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1O ZINC000183632933 427305046 /nfs/dbraw/zinc/30/50/46/427305046.db2.gz VMCOUMGXXQSZMQ-CQSZACIVSA-N 2 0 315.417 2.578 20 10 DFCDRP C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc(Br)cc1O ZINC000185142562 427602294 /nfs/dbraw/zinc/60/22/94/427602294.db2.gz IQCDRSXOZPBZSL-ZYHUDNBSSA-N 2 0 313.239 2.900 20 10 DFCDRP [NH3+][C@H]1CCc2ccccc2N(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662302017 431039699 /nfs/dbraw/zinc/03/96/99/431039699.db2.gz VKNPLJQOHZSJSN-SFHVURJKSA-N 2 0 307.441 2.612 20 10 DFCDRP CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000368795013 280219074 /nfs/dbraw/zinc/21/90/74/280219074.db2.gz DHCCBGLNVYDVPH-WMZOPIPTSA-N 2 0 317.477 2.555 20 10 DFCDRP Cc1cc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(O)c1 ZINC000293796496 335117546 /nfs/dbraw/zinc/11/75/46/335117546.db2.gz QWSXTXWLIMPXCQ-SJORKVTESA-N 2 0 320.477 2.897 20 10 DFCDRP CC[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc(C)cc1O ZINC000366859335 335221599 /nfs/dbraw/zinc/22/15/99/335221599.db2.gz TZOOYGPUAWFXAS-VYDXJSESSA-N 2 0 304.434 2.605 20 10 DFCDRP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000182088050 337184229 /nfs/dbraw/zinc/18/42/29/337184229.db2.gz FMBYKYZVZUTLGN-KRWDZBQOSA-N 2 0 312.461 2.941 20 10 DFCDRP COc1cc(Cl)cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1O ZINC000230935727 340621333 /nfs/dbraw/zinc/62/13/33/340621333.db2.gz YOHIIBBAHJOOGG-UHFFFAOYSA-N 2 0 312.841 2.876 20 10 DFCDRP C[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CC[NH+](C)C1 ZINC000156019193 523164347 /nfs/dbraw/zinc/16/43/47/523164347.db2.gz NXIRNJICHMLFHY-NSHDSACASA-N 2 0 313.239 2.538 20 10 DFCDRP COc1ccc(O)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000180363202 524740241 /nfs/dbraw/zinc/74/02/41/524740241.db2.gz LMRNGCGHOZUUJR-INIZCTEOSA-N 2 0 304.434 2.851 20 10 DFCDRP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000273488065 130127473 /nfs/dbraw/zinc/12/74/73/130127473.db2.gz NQELBDPENBEJNJ-FNHZYXHNSA-N 2 0 318.461 2.729 20 10 DFCDRP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000273488076 130128240 /nfs/dbraw/zinc/12/82/40/130128240.db2.gz NQELBDPENBEJNJ-UCLAIMLFSA-N 2 0 318.461 2.729 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(O)c1C ZINC000273595804 130142222 /nfs/dbraw/zinc/14/22/22/130142222.db2.gz QLOUJDCCRJJZKR-PBHICJAKSA-N 2 0 319.493 2.543 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(O)c1C ZINC000273595812 130142259 /nfs/dbraw/zinc/14/22/59/130142259.db2.gz QLOUJDCCRJJZKR-YOEHRIQHSA-N 2 0 319.493 2.543 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(O)c1C ZINC000274659108 130252318 /nfs/dbraw/zinc/25/23/18/130252318.db2.gz VGUIOTVASGWLKG-RDJZCZTQSA-N 2 0 319.493 2.686 20 10 DFCDRP COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000245843501 426773810 /nfs/dbraw/zinc/77/38/10/426773810.db2.gz KNMSWPAPCBXUAW-KBXCAEBGSA-N 2 0 316.445 2.850 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000290346632 426747697 /nfs/dbraw/zinc/74/76/97/426747697.db2.gz FUXNZAMEGXHEQL-RHSMWYFYSA-N 2 0 304.434 2.707 20 10 DFCDRP COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1O ZINC000290409285 426757677 /nfs/dbraw/zinc/75/76/77/426757677.db2.gz JXTMHPUWHKJIFC-FZMZJTMJSA-N 2 0 312.841 2.826 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC000278789105 427453093 /nfs/dbraw/zinc/45/30/93/427453093.db2.gz YQKIPCXGWDOZOP-JKSUJKDBSA-N 2 0 306.450 2.852 20 10 DFCDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185014703 427577025 /nfs/dbraw/zinc/57/70/25/427577025.db2.gz URQJSRIGDVJFIM-KRWDZBQOSA-N 2 0 319.493 2.769 20 10 DFCDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185014890 427577849 /nfs/dbraw/zinc/57/78/49/427577849.db2.gz VNZSEUUQGFTQFY-HNNXBMFYSA-N 2 0 323.456 2.600 20 10 DFCDRP COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000364624810 429237334 /nfs/dbraw/zinc/23/73/34/429237334.db2.gz UZPRZKDAWPMQMK-KBPBESRZSA-N 2 0 301.390 2.995 20 10 DFCDRP C[NH+](C)CCN(C(=O)c1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000662698450 431165697 /nfs/dbraw/zinc/16/56/97/431165697.db2.gz MRYGXRBCMOFBKY-UHFFFAOYSA-N 2 0 323.440 2.541 20 10 DFCDRP Cc1cccc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)c1O ZINC000378440039 337072777 /nfs/dbraw/zinc/07/27/77/337072777.db2.gz YIBMCCRVTHPJFQ-UHFFFAOYSA-N 2 0 318.461 2.776 20 10 DFCDRP C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CC[NH+](C)C1 ZINC000156019304 523163963 /nfs/dbraw/zinc/16/39/63/523163963.db2.gz NXIRNJICHMLFHY-LLVKDONJSA-N 2 0 313.239 2.538 20 10 DFCDRP CCOc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1O ZINC000093536930 398640584 /nfs/dbraw/zinc/64/05/84/398640584.db2.gz KJHAWXLFGOXAAR-BRWVUGGUSA-N 2 0 316.445 2.707 20 10 DFCDRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc2ccccc2c1O ZINC000273435213 130120972 /nfs/dbraw/zinc/12/09/72/130120972.db2.gz WUJGOUGZHKEGIG-HOCLYGCPSA-N 2 0 314.429 2.653 20 10 DFCDRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OCC)ccc2O)C1 ZINC000093742413 426358690 /nfs/dbraw/zinc/35/86/90/426358690.db2.gz VQXLGGNOPMXRFQ-HNNXBMFYSA-N 2 0 306.450 2.955 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000290630708 426809706 /nfs/dbraw/zinc/80/97/06/426809706.db2.gz XXFCGZQBXPJTED-HOCLYGCPSA-N 2 0 304.434 2.707 20 10 DFCDRP COCCN1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185144747 427602705 /nfs/dbraw/zinc/60/27/05/427602705.db2.gz MJTXGUVRMCNUBD-GFCCVEGCSA-N 2 0 312.841 2.807 20 10 DFCDRP COc1cc(Cl)cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1O ZINC000293675167 335114631 /nfs/dbraw/zinc/11/46/31/335114631.db2.gz PDUNNPJMHIYXIR-KRWDZBQOSA-N 2 0 324.852 2.972 20 10 DFCDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(F)ccc1O ZINC000273475386 334048049 /nfs/dbraw/zinc/04/80/49/334048049.db2.gz KPFDNMGAWRDXQJ-XZOAIXRZSA-N 2 0 322.424 2.560 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000368326215 336842454 /nfs/dbraw/zinc/84/24/54/336842454.db2.gz FBEPYSCAYFWOTM-HOTGVXAUSA-N 2 0 317.477 2.520 20 10 DFCDRP Cc1ccc(O)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000359869424 337440147 /nfs/dbraw/zinc/44/01/47/337440147.db2.gz IEVXHVKAZPOBIU-UHFFFAOYSA-N 2 0 318.461 2.635 20 10 DFCDRP CCCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(O)c1 ZINC000092253792 193181399 /nfs/dbraw/zinc/18/13/99/193181399.db2.gz UJZRXEDSLVQWOB-HNNXBMFYSA-N 2 0 306.450 2.955 20 10 DFCDRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268860935 296121701 /nfs/dbraw/zinc/12/17/01/296121701.db2.gz BWSXTYBVFYSSEB-OAHLLOKOSA-N 2 0 323.456 2.655 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)c1O ZINC000093693211 426357830 /nfs/dbraw/zinc/35/78/30/426357830.db2.gz XBNCZWMXBUHKFR-HNNXBMFYSA-N 2 0 306.450 2.955 20 10 DFCDRP COc1cc(Cl)cc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)c1O ZINC000273699563 426710564 /nfs/dbraw/zinc/71/05/64/426710564.db2.gz CZKHZHSHBMJERQ-BXUZGUMPSA-N 2 0 310.825 2.580 20 10 DFCDRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1O ZINC000183632916 427303739 /nfs/dbraw/zinc/30/37/39/427303739.db2.gz VMCOUMGXXQSZMQ-AWEZNQCLSA-N 2 0 315.417 2.578 20 10 DFCDRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCc3cccc(O)c32)C[C@H](C)O1 ZINC000297869521 427471212 /nfs/dbraw/zinc/47/12/12/427471212.db2.gz UNQYCRSJSOGMKH-HLLBOEOZSA-N 2 0 318.461 2.859 20 10 DFCDRP Cc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000372190060 428422920 /nfs/dbraw/zinc/42/29/20/428422920.db2.gz AUSXUBSNMHWQLA-ZHALLVOQSA-N 2 0 318.461 2.693 20 10 DFCDRP COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000368806446 429895997 /nfs/dbraw/zinc/89/59/97/429895997.db2.gz NVSXTJJBAIKRLO-GRDNDAEWSA-N 2 0 304.434 2.878 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000093597463 193272084 /nfs/dbraw/zinc/27/20/84/193272084.db2.gz BKGZSNLGTWEYLH-OAHLLOKOSA-N 2 0 304.434 2.709 20 10 DFCDRP Cc1cc(C)c([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(O)c1 ZINC000284206104 131059618 /nfs/dbraw/zinc/05/96/18/131059618.db2.gz SKPVPSZBOMCVMC-INIZCTEOSA-N 2 0 319.493 2.686 20 10 DFCDRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccccc1O ZINC000155578601 425922042 /nfs/dbraw/zinc/92/20/42/425922042.db2.gz UJVUKNOOGKVRFB-QGZVFWFLSA-N 2 0 306.450 2.934 20 10 DFCDRP Cc1cc(O)c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000121102927 426322205 /nfs/dbraw/zinc/32/22/05/426322205.db2.gz MMHDICCPSYUZGN-MRXNPFEDSA-N 2 0 320.477 2.534 20 10 DFCDRP CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(CCOC)CC2)cc1 ZINC000154830995 426457724 /nfs/dbraw/zinc/45/77/24/426457724.db2.gz OYBWFSYXPWEOND-MRXNPFEDSA-N 2 0 319.493 2.904 20 10 DFCDRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C)cc1O ZINC000280119748 426503865 /nfs/dbraw/zinc/50/38/65/426503865.db2.gz OGJSFIYCBSROPM-WMZOPIPTSA-N 2 0 319.493 2.625 20 10 DFCDRP COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1O ZINC000290409290 426758933 /nfs/dbraw/zinc/75/89/33/426758933.db2.gz JXTMHPUWHKJIFC-RISCZKNCSA-N 2 0 312.841 2.826 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(O)c1C ZINC000282165834 426843244 /nfs/dbraw/zinc/84/32/44/426843244.db2.gz DSNFDTQKGBXWHH-MRXNPFEDSA-N 2 0 319.493 2.686 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247267098 426920416 /nfs/dbraw/zinc/92/04/16/426920416.db2.gz XWXMMTIJIWGNKV-YOEHRIQHSA-N 2 0 304.434 2.707 20 10 DFCDRP COCCN1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185144730 427602145 /nfs/dbraw/zinc/60/21/45/427602145.db2.gz MJTXGUVRMCNUBD-LBPRGKRZSA-N 2 0 312.841 2.807 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(O)c1 ZINC000185414866 427649164 /nfs/dbraw/zinc/64/91/64/427649164.db2.gz AZXDSIFNNRRIBU-HZPDHXFCSA-N 2 0 306.450 2.588 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000373227921 428524990 /nfs/dbraw/zinc/52/49/90/428524990.db2.gz KXHJOESJYLTJNU-CQSZACIVSA-N 2 0 315.417 2.904 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1O ZINC000293773614 335113545 /nfs/dbraw/zinc/11/35/45/335113545.db2.gz YSENTBLONRYSRD-SFHVURJKSA-N 2 0 304.434 2.709 20 10 DFCDRP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000194261882 337088408 /nfs/dbraw/zinc/08/84/08/337088408.db2.gz VSCBBOQRJYDLBJ-AEFFLSMTSA-N 2 0 319.493 2.623 20 10 DFCDRP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1O ZINC000194260243 337089217 /nfs/dbraw/zinc/08/92/17/337089217.db2.gz STYZXLPFWSTTCQ-MSOLQXFVSA-N 2 0 319.493 2.705 20 10 DFCDRP Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000184732036 337199283 /nfs/dbraw/zinc/19/92/83/337199283.db2.gz RTVKCWJNRJLZBP-ZDUSSCGKSA-N 2 0 303.381 2.720 20 10 DFCDRP Cc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1O ZINC000180508370 524390065 /nfs/dbraw/zinc/39/00/65/524390065.db2.gz OANWGRYLAWYRCM-UHFFFAOYSA-N 2 0 318.461 2.777 20 10 DFCDRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc2ccccc2c1O ZINC000273595926 130141423 /nfs/dbraw/zinc/14/14/23/130141423.db2.gz QOWHBIVFPPMKND-AWEZNQCLSA-N 2 0 314.429 2.653 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(O)c1C ZINC000274659104 130252732 /nfs/dbraw/zinc/25/27/32/130252732.db2.gz VGUIOTVASGWLKG-NVXWUHKLSA-N 2 0 319.493 2.686 20 10 DFCDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000063255904 425900313 /nfs/dbraw/zinc/90/03/13/425900313.db2.gz PYECEPHRMSRQNQ-CYBMUJFWSA-N 2 0 308.422 2.721 20 10 DFCDRP COc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000093683716 426358753 /nfs/dbraw/zinc/35/87/53/426358753.db2.gz NPDHDRVAFZGUFU-OAHLLOKOSA-N 2 0 304.434 2.709 20 10 DFCDRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(C)cc1O ZINC000280207888 426520571 /nfs/dbraw/zinc/52/05/71/426520571.db2.gz TXHQQGMDDLAJMS-SFHVURJKSA-N 2 0 319.493 2.769 20 10 DFCDRP COc1ccc(O)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290295092 426734433 /nfs/dbraw/zinc/73/44/33/426734433.db2.gz ASQFVQVWTCSBEV-HNNXBMFYSA-N 2 0 304.434 2.565 20 10 DFCDRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1O ZINC000274960029 426861778 /nfs/dbraw/zinc/86/17/78/426861778.db2.gz WKZFUBUKPXRCRP-LNLFQRSKSA-N 2 0 318.461 2.811 20 10 DFCDRP COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000185074900 427588882 /nfs/dbraw/zinc/58/88/82/427588882.db2.gz XDHYNKBJCXSSEY-ZDUSSCGKSA-N 2 0 304.434 2.926 20 10 DFCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185345001 427637671 /nfs/dbraw/zinc/63/76/71/427637671.db2.gz MDCOEBISWXSQQJ-IRXDYDNUSA-N 2 0 319.493 2.625 20 10 DFCDRP Cc1ccc(O)c([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000185352913 427639698 /nfs/dbraw/zinc/63/96/98/427639698.db2.gz VHWVJWJAFHRATO-MRXNPFEDSA-N 2 0 319.493 2.625 20 10 DFCDRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)ccc1O ZINC000185492735 333209254 /nfs/dbraw/zinc/20/92/54/333209254.db2.gz DRDAVUUZYKBGBE-KGLIPLIRSA-N 2 0 322.424 2.683 20 10 DFCDRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1O ZINC000194260228 337089186 /nfs/dbraw/zinc/08/91/86/337089186.db2.gz STYZXLPFWSTTCQ-ROUUACIJSA-N 2 0 319.493 2.705 20 10 DFCDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185014718 521680261 /nfs/dbraw/zinc/68/02/61/521680261.db2.gz URQJSRIGDVJFIM-QGZVFWFLSA-N 2 0 319.493 2.769 20 10 DFCDRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1O ZINC000155675112 522824825 /nfs/dbraw/zinc/82/48/25/522824825.db2.gz ORGZDSZFIFZNRT-GOSISDBHSA-N 2 0 319.493 2.707 20 10 DFCDRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc2ccccc2c1O ZINC000273435214 130121291 /nfs/dbraw/zinc/12/12/91/130121291.db2.gz WUJGOUGZHKEGIG-ZBFHGGJFSA-N 2 0 314.429 2.653 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(O)c1 ZINC000273511556 130131329 /nfs/dbraw/zinc/13/13/29/130131329.db2.gz RSJJDAQLIGVZNJ-QGTPRVQTSA-N 2 0 318.461 2.729 20 10 DFCDRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCC)c2O)C1 ZINC000093742149 426357657 /nfs/dbraw/zinc/35/76/57/426357657.db2.gz MSQHKWYRWGFIJA-HNNXBMFYSA-N 2 0 306.450 2.955 20 10 DFCDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(C)cc1O ZINC000280294019 426542285 /nfs/dbraw/zinc/54/22/85/426542285.db2.gz ZKQXIPIDGGAQOK-AEFFLSMTSA-N 2 0 320.477 2.978 20 10 DFCDRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3O)CC2)C[C@H](C)O1 ZINC000179564170 426801207 /nfs/dbraw/zinc/80/12/07/426801207.db2.gz OLHIFVNYLGWVTA-IYBDPMFKSA-N 2 0 318.461 2.713 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1O ZINC000290630706 426809568 /nfs/dbraw/zinc/80/95/68/426809568.db2.gz XXFCGZQBXPJTED-GOEBONIOSA-N 2 0 304.434 2.707 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(O)c1 ZINC000185353211 427638694 /nfs/dbraw/zinc/63/86/94/427638694.db2.gz GERONIJXCQQYHN-INIZCTEOSA-N 2 0 319.493 2.625 20 10 DFCDRP COc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000093563999 278010181 /nfs/dbraw/zinc/01/01/81/278010181.db2.gz BYRNYEPJBVZJLY-MRXNPFEDSA-N 2 0 304.434 2.851 20 10 DFCDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1O ZINC000183620888 279456133 /nfs/dbraw/zinc/45/61/33/279456133.db2.gz AIOTVDYEOPKIFP-YJLNNSPDSA-N 2 0 318.461 2.811 20 10 DFCDRP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000228671386 337078143 /nfs/dbraw/zinc/07/81/43/337078143.db2.gz QOBHZQKOWFIJGL-ZIAGYGMSSA-N 2 0 310.825 2.771 20 10 DFCDRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1O ZINC000194260257 337089133 /nfs/dbraw/zinc/08/91/33/337089133.db2.gz STYZXLPFWSTTCQ-ZWKOTPCHSA-N 2 0 319.493 2.705 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(O)c1 ZINC000194261511 337089447 /nfs/dbraw/zinc/08/94/47/337089447.db2.gz YRYLGKBHLHLTQB-SJLPKXTDSA-N 2 0 319.493 2.623 20 10 DFCDRP CC[NH+](CC)CCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000131426930 337437748 /nfs/dbraw/zinc/43/77/48/337437748.db2.gz YLXLJPSUVAQXBU-UHFFFAOYSA-N 2 0 319.493 2.986 20 10 DFCDRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1O ZINC000155674997 522576645 /nfs/dbraw/zinc/57/66/45/522576645.db2.gz ORGZDSZFIFZNRT-SFHVURJKSA-N 2 0 319.493 2.707 20 10 DFCDRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1O ZINC000155658193 522606182 /nfs/dbraw/zinc/60/61/82/522606182.db2.gz ZJQLFDRNCDFRRJ-AEFFLSMTSA-N 2 0 319.493 2.707 20 10 DFCDRP COc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000093563998 193270328 /nfs/dbraw/zinc/27/03/28/193270328.db2.gz BYRNYEPJBVZJLY-INIZCTEOSA-N 2 0 304.434 2.851 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(O)c1 ZINC000273511553 130131170 /nfs/dbraw/zinc/13/11/70/130131170.db2.gz RSJJDAQLIGVZNJ-BMGDILEWSA-N 2 0 318.461 2.729 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(O)c1C ZINC000273595807 130141464 /nfs/dbraw/zinc/14/14/64/130141464.db2.gz QLOUJDCCRJJZKR-RHSMWYFYSA-N 2 0 319.493 2.543 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(O)c1C ZINC000273619829 130144832 /nfs/dbraw/zinc/14/48/32/130144832.db2.gz YQLQHIZPWNTZME-SJORKVTESA-N 2 0 320.477 2.897 20 10 DFCDRP CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(CCOC)CC2)cc1 ZINC000154831111 426457557 /nfs/dbraw/zinc/45/75/57/426457557.db2.gz OYBWFSYXPWEOND-INIZCTEOSA-N 2 0 319.493 2.904 20 10 DFCDRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(C)cc1O ZINC000280034633 426503077 /nfs/dbraw/zinc/50/30/77/426503077.db2.gz IICOLGRNGNKPIX-SFHVURJKSA-N 2 0 319.493 2.769 20 10 DFCDRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCc3cccc(O)c32)C[C@@H](C)O1 ZINC000297869515 427471854 /nfs/dbraw/zinc/47/18/54/427471854.db2.gz UNQYCRSJSOGMKH-BFYDXBDKSA-N 2 0 318.461 2.859 20 10 DFCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185345526 427640038 /nfs/dbraw/zinc/64/00/38/427640038.db2.gz SRWJFFZJVMCKEX-DLBZAZTESA-N 2 0 319.493 2.625 20 10 DFCDRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(C)cc1O ZINC000279996348 427725911 /nfs/dbraw/zinc/72/59/11/427725911.db2.gz FRMJFCOVCQBCOB-WMZOPIPTSA-N 2 0 319.493 2.767 20 10 DFCDRP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1O ZINC000194260272 337089171 /nfs/dbraw/zinc/08/91/71/337089171.db2.gz STYZXLPFWSTTCQ-QZTJIDSGSA-N 2 0 319.493 2.705 20 10 DFCDRP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c1 ZINC000182404549 337188313 /nfs/dbraw/zinc/18/83/13/337188313.db2.gz XWSOTDWXZMBIQI-ZDUSSCGKSA-N 2 0 324.384 2.832 20 10 DFCDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000180415517 521719304 /nfs/dbraw/zinc/71/93/04/521719304.db2.gz KKDYNTZKCGQQNL-HIFRSBDPSA-N 2 0 322.449 2.572 20 10 DFCDRP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163103415 523848480 /nfs/dbraw/zinc/84/84/80/523848480.db2.gz ACOUFCDELIILHY-ROUUACIJSA-N 2 0 318.461 2.858 20 10 DFCDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273395122 535698983 /nfs/dbraw/zinc/69/89/83/535698983.db2.gz LWDWZJCUKPOVMD-KRWDZBQOSA-N 2 0 319.493 2.687 20 10 DFCDRP CCOc1ccc(O)c(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000092381291 185314769 /nfs/dbraw/zinc/31/47/69/185314769.db2.gz DLKDCUOJEPQQQM-UHFFFAOYSA-N 2 0 306.450 2.955 20 10 DFCDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@H](C)C1 ZINC000122923717 426403071 /nfs/dbraw/zinc/40/30/71/426403071.db2.gz IGQASLUIIBYEFO-QAPCUYQASA-N 2 0 301.478 2.889 20 10 DFCDRP CCCOc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c(O)c1 ZINC000290427435 426761998 /nfs/dbraw/zinc/76/19/98/426761998.db2.gz LESZTPBBHCRWLI-YOEHRIQHSA-N 2 0 306.450 2.953 20 10 DFCDRP CCCOc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c(O)c1 ZINC000290427430 426762508 /nfs/dbraw/zinc/76/25/08/426762508.db2.gz LESZTPBBHCRWLI-PBHICJAKSA-N 2 0 306.450 2.953 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247267084 426919570 /nfs/dbraw/zinc/91/95/70/426919570.db2.gz XWXMMTIJIWGNKV-WMLDXEAASA-N 2 0 304.434 2.707 20 10 DFCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185345509 427640666 /nfs/dbraw/zinc/64/06/66/427640666.db2.gz SRWJFFZJVMCKEX-SJORKVTESA-N 2 0 319.493 2.625 20 10 DFCDRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1O ZINC000373459152 428582025 /nfs/dbraw/zinc/58/20/25/428582025.db2.gz DONHQQVVTJPLFP-MAUKXSAKSA-N 2 0 317.477 2.601 20 10 DFCDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(F)ccc1O ZINC000273475382 334048100 /nfs/dbraw/zinc/04/81/00/334048100.db2.gz KPFDNMGAWRDXQJ-ULFGMLNVSA-N 2 0 322.424 2.560 20 10 DFCDRP Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000184732055 337199182 /nfs/dbraw/zinc/19/91/82/337199182.db2.gz RTVKCWJNRJLZBP-CYBMUJFWSA-N 2 0 303.381 2.720 20 10 DFCDRP [NH3+]Cc1cccc2c1N(Cc1cccc3c1CC[NH2+]C3)CCC2 ZINC000629561149 399648781 /nfs/dbraw/zinc/64/87/81/399648781.db2.gz RIQROASFCSRFQT-UHFFFAOYSA-N 2 0 307.441 2.744 20 10 DFCDRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc2ccccc2c1O ZINC000273435212 130120138 /nfs/dbraw/zinc/12/01/38/130120138.db2.gz WUJGOUGZHKEGIG-GOEBONIOSA-N 2 0 314.429 2.653 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(O)c1C ZINC000273615481 130145105 /nfs/dbraw/zinc/14/51/05/130145105.db2.gz XCNDIUFDRHNMRM-KRWDZBQOSA-N 2 0 319.493 2.687 20 10 DFCDRP COc1cc(Cl)cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1O ZINC000228671485 426634986 /nfs/dbraw/zinc/63/49/86/426634986.db2.gz AQNMXPKHGYMZCD-LBPRGKRZSA-N 2 0 312.841 2.876 20 10 DFCDRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1O ZINC000274960035 426859969 /nfs/dbraw/zinc/85/99/69/426859969.db2.gz WKZFUBUKPXRCRP-YQVWRLOYSA-N 2 0 318.461 2.811 20 10 DFCDRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1O ZINC000183520602 427286909 /nfs/dbraw/zinc/28/69/09/427286909.db2.gz ACKXBULIIKUDEY-HUUCEWRRSA-N 2 0 304.434 2.544 20 10 DFCDRP COc1cc(O)c(C[NH2+]CCCCC[NH+]2CCCC2)cc1OC ZINC000293542023 427357586 /nfs/dbraw/zinc/35/75/86/427357586.db2.gz CYWJABOKSOSIHB-UHFFFAOYSA-N 2 0 322.449 2.765 20 10 DFCDRP COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000364624850 429237235 /nfs/dbraw/zinc/23/72/35/429237235.db2.gz UZPRZKDAWPMQMK-ZIAGYGMSSA-N 2 0 301.390 2.995 20 10 DFCDRP Cc1cc(O)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1C ZINC000530249361 430108907 /nfs/dbraw/zinc/10/89/07/430108907.db2.gz WQJMGLXPYPVIKB-SFHVURJKSA-N 2 0 318.461 2.600 20 10 DFCDRP CC[C@H](c1ccccc1O)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000363687266 332221672 /nfs/dbraw/zinc/22/16/72/332221672.db2.gz NRZOSFJEBKPNIT-GOSISDBHSA-N 2 0 318.461 2.888 20 10 DFCDRP COc1cc(Cl)cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1O ZINC000293675169 335114885 /nfs/dbraw/zinc/11/48/85/335114885.db2.gz PDUNNPJMHIYXIR-QGZVFWFLSA-N 2 0 324.852 2.972 20 10 DFCDRP CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(C)cc1O ZINC000366859333 335221633 /nfs/dbraw/zinc/22/16/33/335221633.db2.gz TZOOYGPUAWFXAS-INMHGKMJSA-N 2 0 304.434 2.605 20 10 DFCDRP CC[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(C)cc1O ZINC000366859336 335221664 /nfs/dbraw/zinc/22/16/64/335221664.db2.gz TZOOYGPUAWFXAS-ZOBUZTSGSA-N 2 0 304.434 2.605 20 10 DFCDRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1O ZINC000373459154 336961083 /nfs/dbraw/zinc/96/10/83/336961083.db2.gz DONHQQVVTJPLFP-YJBOKZPZSA-N 2 0 317.477 2.601 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCCC[C@@H]3CO2)c(O)c1C ZINC000375242462 337006510 /nfs/dbraw/zinc/00/65/10/337006510.db2.gz OJOFTUMWFRVWDM-GVDBMIGSSA-N 2 0 318.461 2.913 20 10 DFCDRP COc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000180470720 524748136 /nfs/dbraw/zinc/74/81/36/524748136.db2.gz LGEAOIDKIOTVPN-OAHLLOKOSA-N 2 0 304.434 2.709 20 10 DFCDRP COc1ccc(C[NH2+][C@H]2CCO[C@@H](c3cncn3C)C2)cc1C ZINC000275530611 130330319 /nfs/dbraw/zinc/33/03/19/130330319.db2.gz LWPKQHOJVYOKBB-MAUKXSAKSA-N 2 0 315.417 2.747 20 10 DFCDRP COc1ccc(C[NH2+][C@@H]2CCO[C@H](c3cncn3C)C2)cc1C ZINC000275530616 130330847 /nfs/dbraw/zinc/33/08/47/130330847.db2.gz LWPKQHOJVYOKBB-QAPCUYQASA-N 2 0 315.417 2.747 20 10 DFCDRP COc1cc(Cl)cc(C[NH2+]CCC[N@H+](C)C(C)C)c1O ZINC000230934023 542893224 /nfs/dbraw/zinc/89/32/24/542893224.db2.gz WKGSHIPCYNLOID-UHFFFAOYSA-N 2 0 300.830 2.874 20 10 DFCDRP COc1ccc(O)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000180481611 286338576 /nfs/dbraw/zinc/33/85/76/286338576.db2.gz QHYUOWURTVGZNM-UHFFFAOYSA-N 2 0 306.450 2.955 20 10 DFCDRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C)cc1O ZINC000280119746 426502199 /nfs/dbraw/zinc/50/21/99/426502199.db2.gz OGJSFIYCBSROPM-SJLPKXTDSA-N 2 0 319.493 2.625 20 10 DFCDRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(C)cc1O ZINC000280086815 426502334 /nfs/dbraw/zinc/50/23/34/426502334.db2.gz MBWQJWOZBPANTK-GOSISDBHSA-N 2 0 319.493 2.767 20 10 DFCDRP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000245573212 426753439 /nfs/dbraw/zinc/75/34/39/426753439.db2.gz ACOUFCDELIILHY-ZWKOTPCHSA-N 2 0 318.461 2.858 20 10 DFCDRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(C)cc1O ZINC000282325598 426881196 /nfs/dbraw/zinc/88/11/96/426881196.db2.gz NUNJLVXQOSUONG-QGZVFWFLSA-N 2 0 319.493 2.767 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293524505 427350311 /nfs/dbraw/zinc/35/03/11/427350311.db2.gz BHSQAFSEONSOTN-SFHVURJKSA-N 2 0 304.434 2.709 20 10 DFCDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185014429 427578489 /nfs/dbraw/zinc/57/84/89/427578489.db2.gz ASVZZQLVCROCQW-KRWDZBQOSA-N 2 0 319.493 2.769 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000367472256 429657864 /nfs/dbraw/zinc/65/78/64/429657864.db2.gz HGMGASMYAGXTNL-NXHRZFHOSA-N 2 0 316.445 2.707 20 10 DFCDRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1O ZINC000183620903 278336164 /nfs/dbraw/zinc/33/61/64/278336164.db2.gz AIOTVDYEOPKIFP-BJZITVGISA-N 2 0 318.461 2.811 20 10 DFCDRP CC[C@@H](c1ccccc1O)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000363687267 332221682 /nfs/dbraw/zinc/22/16/82/332221682.db2.gz NRZOSFJEBKPNIT-SFHVURJKSA-N 2 0 318.461 2.888 20 10 DFCDRP Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000368326044 336842441 /nfs/dbraw/zinc/84/24/41/336842441.db2.gz DMKRZOOZZKCETK-JKSUJKDBSA-N 2 0 317.477 2.520 20 10 DFCDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000227438173 337205179 /nfs/dbraw/zinc/20/51/79/337205179.db2.gz CKZVFPFHLBDKRM-LLVKDONJSA-N 2 0 313.239 2.586 20 10 DFCDRP COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000180765851 524746440 /nfs/dbraw/zinc/74/64/40/524746440.db2.gz KNMSWPAPCBXUAW-RDTXWAMCSA-N 2 0 316.445 2.850 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(O)c1C ZINC000273595810 130142187 /nfs/dbraw/zinc/14/21/87/130142187.db2.gz QLOUJDCCRJJZKR-WMLDXEAASA-N 2 0 319.493 2.543 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(O)c1C ZINC000273609696 130142913 /nfs/dbraw/zinc/14/29/13/130142913.db2.gz VMZGUWUMJIHSNS-INIZCTEOSA-N 2 0 319.493 2.686 20 10 DFCDRP Cc1cc(C)c([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(O)c1 ZINC000285020735 131131819 /nfs/dbraw/zinc/13/18/19/131131819.db2.gz HKFAQIRAGQQODZ-INIZCTEOSA-N 2 0 319.493 2.686 20 10 DFCDRP CCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1O ZINC000289260270 131369817 /nfs/dbraw/zinc/36/98/17/131369817.db2.gz FQSLSSXCYNIGPT-XYPWUTKMSA-N 2 0 304.434 2.848 20 10 DFCDRP Cc1ccc(O)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735149 426358240 /nfs/dbraw/zinc/35/82/40/426358240.db2.gz DFHCDQGIILPVLG-UHFFFAOYSA-N 2 0 318.461 2.777 20 10 DFCDRP COc1cc(Cl)cc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1O ZINC000273699568 426710468 /nfs/dbraw/zinc/71/04/68/426710468.db2.gz CZKHZHSHBMJERQ-FZMZJTMJSA-N 2 0 310.825 2.580 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1O ZINC000290387350 426754057 /nfs/dbraw/zinc/75/40/57/426754057.db2.gz INSVPTCIFQEIHV-INIZCTEOSA-N 2 0 318.461 2.955 20 10 DFCDRP COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000246109818 426799568 /nfs/dbraw/zinc/79/95/68/426799568.db2.gz JSLHWKHADNVRMY-YOEHRIQHSA-N 2 0 316.445 2.850 20 10 DFCDRP COc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1O ZINC000290647494 426812049 /nfs/dbraw/zinc/81/20/49/426812049.db2.gz YXKAZENFCKNBJS-OAHLLOKOSA-N 2 0 304.434 2.565 20 10 DFCDRP CCOCc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ccc1OC ZINC000271773463 427585761 /nfs/dbraw/zinc/58/57/61/427585761.db2.gz CDJKZBXHOBZAOD-UHFFFAOYSA-N 2 0 304.434 2.583 20 10 DFCDRP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000290298827 274095216 /nfs/dbraw/zinc/09/52/16/274095216.db2.gz BBFBNRCSAOQPGF-DOMZBBRYSA-N 2 0 324.852 2.970 20 10 DFCDRP CC[C@H](c1ccccc1O)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000366679030 281024716 /nfs/dbraw/zinc/02/47/16/281024716.db2.gz LZSNJPXABCPACT-FUHWJXTLSA-N 2 0 317.477 2.555 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000375472636 337011817 /nfs/dbraw/zinc/01/18/17/337011817.db2.gz LBVUBCDWWDJINP-UHFFFAOYSA-N 2 0 304.434 2.851 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(O)c1 ZINC000194261497 337089409 /nfs/dbraw/zinc/08/94/09/337089409.db2.gz YRYLGKBHLHLTQB-WMZOPIPTSA-N 2 0 319.493 2.623 20 10 DFCDRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000159090351 523297851 /nfs/dbraw/zinc/29/78/51/523297851.db2.gz KCJWBMRRPGFKPY-INIZCTEOSA-N 2 0 319.493 2.904 20 10 DFCDRP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000273488070 130127795 /nfs/dbraw/zinc/12/77/95/130127795.db2.gz NQELBDPENBEJNJ-POZUXBRTSA-N 2 0 318.461 2.729 20 10 DFCDRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1O ZINC000274960026 130276919 /nfs/dbraw/zinc/27/69/19/130276919.db2.gz WKZFUBUKPXRCRP-JENIJYKNSA-N 2 0 318.461 2.811 20 10 DFCDRP COc1cc(Cl)cc(C[NH2+]CCC2CC[NH+](C)CC2)c1O ZINC000169086652 426136601 /nfs/dbraw/zinc/13/66/01/426136601.db2.gz DTAFIAHKKMUVPL-UHFFFAOYSA-N 2 0 312.841 2.876 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043567 426346992 /nfs/dbraw/zinc/34/69/92/426346992.db2.gz XWXMMTIJIWGNKV-RHSMWYFYSA-N 2 0 304.434 2.707 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043568 426347180 /nfs/dbraw/zinc/34/71/80/426347180.db2.gz XWXMMTIJIWGNKV-PBHICJAKSA-N 2 0 304.434 2.707 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093598099 426355581 /nfs/dbraw/zinc/35/55/81/426355581.db2.gz HIGJBCCKMXPHTC-OAHLLOKOSA-N 2 0 304.434 2.709 20 10 DFCDRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccccc3O)CC2)C[C@H](C)O1 ZINC000179564177 426801523 /nfs/dbraw/zinc/80/15/23/426801523.db2.gz OLHIFVNYLGWVTA-HOTGVXAUSA-N 2 0 318.461 2.713 20 10 DFCDRP COc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1O ZINC000290647493 426813020 /nfs/dbraw/zinc/81/30/20/426813020.db2.gz YXKAZENFCKNBJS-HNNXBMFYSA-N 2 0 304.434 2.565 20 10 DFCDRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1O ZINC000183520570 427288515 /nfs/dbraw/zinc/28/85/15/427288515.db2.gz ACKXBULIIKUDEY-CABCVRRESA-N 2 0 304.434 2.544 20 10 DFCDRP CC[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccccc1O ZINC000278476813 427442980 /nfs/dbraw/zinc/44/29/80/427442980.db2.gz KFJDHDSYYDFTJB-DOTOQJQBSA-N 2 0 306.450 2.934 20 10 DFCDRP CC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184700326 427521723 /nfs/dbraw/zinc/52/17/23/427521723.db2.gz HFHQYEVXDRNEGP-LBPRGKRZSA-N 2 0 312.841 2.828 20 10 DFCDRP COc1ccc(O)c([C@@H](C)[NH2+]CCCNc2ccccn2)c1 ZINC000185659616 427685322 /nfs/dbraw/zinc/68/53/22/427685322.db2.gz ABIKJDGHIBNVRR-CYBMUJFWSA-N 2 0 301.390 2.949 20 10 DFCDRP Oc1cccc(Cl)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247577 430108543 /nfs/dbraw/zinc/10/85/43/430108543.db2.gz AVDVUTAKSRARSJ-AWEZNQCLSA-N 2 0 324.852 2.636 20 10 DFCDRP [NH3+]C[C@@H]1CCN(Cc2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000634691062 430079951 /nfs/dbraw/zinc/07/99/51/430079951.db2.gz ZELLQOBFWJCCNH-HNNXBMFYSA-N 2 0 307.441 2.785 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1O ZINC000293773610 335113350 /nfs/dbraw/zinc/11/33/50/335113350.db2.gz YSENTBLONRYSRD-GOSISDBHSA-N 2 0 304.434 2.709 20 10 DFCDRP Cc1cc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(O)c1 ZINC000293796494 335117456 /nfs/dbraw/zinc/11/74/56/335117456.db2.gz QWSXTXWLIMPXCQ-IRXDYDNUSA-N 2 0 320.477 2.897 20 10 DFCDRP COc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000180765875 524746184 /nfs/dbraw/zinc/74/61/84/524746184.db2.gz KNMSWPAPCBXUAW-KDOFPFPSSA-N 2 0 316.445 2.850 20 10 DFCDRP CN(C)c1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1F ZINC000278493122 130696053 /nfs/dbraw/zinc/69/60/53/130696053.db2.gz LRKSOHIHSLRLBA-UHFFFAOYSA-N 2 0 305.441 2.856 20 10 DFCDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000165966723 426125076 /nfs/dbraw/zinc/12/50/76/426125076.db2.gz ALTFZOWPQLPHGG-MAUKXSAKSA-N 2 0 307.482 2.760 20 10 DFCDRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(C)cc1O ZINC000280144632 426506808 /nfs/dbraw/zinc/50/68/08/426506808.db2.gz PWDIUXXDXAPIBD-SFHVURJKSA-N 2 0 319.493 2.767 20 10 DFCDRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(C)cc1O ZINC000280086820 426502969 /nfs/dbraw/zinc/50/29/69/426502969.db2.gz MBWQJWOZBPANTK-SFHVURJKSA-N 2 0 319.493 2.767 20 10 DFCDRP COc1cc(Cl)cc(CN(C)CCC[NH+]2CCCC2)c1O ZINC000281340232 426714576 /nfs/dbraw/zinc/71/45/76/426714576.db2.gz SPRUFBPTDWPKFO-UHFFFAOYSA-N 2 0 312.841 2.972 20 10 DFCDRP COc1cccc(C[NH2+]C2CCN(c3ccccn3)CC2)c1O ZINC000237366109 426692579 /nfs/dbraw/zinc/69/25/79/426692579.db2.gz QFBNQTDDFJDAJI-UHFFFAOYSA-N 2 0 313.401 2.554 20 10 DFCDRP COc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000245843506 426773999 /nfs/dbraw/zinc/77/39/99/426773999.db2.gz KNMSWPAPCBXUAW-KSSFIOAISA-N 2 0 316.445 2.850 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000290346665 426747988 /nfs/dbraw/zinc/74/79/88/426747988.db2.gz FUXNZAMEGXHEQL-YOEHRIQHSA-N 2 0 304.434 2.707 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC000278789103 427453009 /nfs/dbraw/zinc/45/30/09/427453009.db2.gz YQKIPCXGWDOZOP-HZPDHXFCSA-N 2 0 306.450 2.852 20 10 DFCDRP Oc1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000369857932 428077152 /nfs/dbraw/zinc/07/71/52/428077152.db2.gz UPYOUYWVYCXEOC-KDURUIRLSA-N 2 0 308.425 2.956 20 10 DFCDRP COc1cccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1O ZINC000373227956 428523013 /nfs/dbraw/zinc/52/30/13/428523013.db2.gz LCKSARIYZUQHSN-CQSZACIVSA-N 2 0 301.390 2.514 20 10 DFCDRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1O ZINC000373459151 428581553 /nfs/dbraw/zinc/58/15/53/428581553.db2.gz DONHQQVVTJPLFP-CRAIPNDOSA-N 2 0 317.477 2.601 20 10 DFCDRP COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1O ZINC000290298833 274095225 /nfs/dbraw/zinc/09/52/25/274095225.db2.gz BBFBNRCSAOQPGF-SWLSCSKDSA-N 2 0 324.852 2.970 20 10 DFCDRP COc1ccc(N2CCC([NH2+][C@@H](C)CC[NH+](C)C)CC2)cc1 ZINC000361245991 336746476 /nfs/dbraw/zinc/74/64/76/336746476.db2.gz KPWRKUZHVKBGTP-HNNXBMFYSA-N 2 0 305.466 2.594 20 10 DFCDRP COc1ccc(O)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000156012155 524736423 /nfs/dbraw/zinc/73/64/23/524736423.db2.gz BLKBZHAJSPJCEL-UHFFFAOYSA-N 2 0 304.434 2.709 20 10 DFCDRP COCCN1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000154833669 426457257 /nfs/dbraw/zinc/45/72/57/426457257.db2.gz JFWGJZFCSXLOMO-HNNXBMFYSA-N 2 0 305.466 2.514 20 10 DFCDRP COc1cc(Cl)cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1O ZINC000228671476 426635006 /nfs/dbraw/zinc/63/50/06/426635006.db2.gz AQNMXPKHGYMZCD-GFCCVEGCSA-N 2 0 312.841 2.876 20 10 DFCDRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc2ccccc2c1O ZINC000273595927 426694401 /nfs/dbraw/zinc/69/44/01/426694401.db2.gz QOWHBIVFPPMKND-CQSZACIVSA-N 2 0 314.429 2.653 20 10 DFCDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293603018 427375565 /nfs/dbraw/zinc/37/55/65/427375565.db2.gz GDXSXOHZFDWNML-QGZVFWFLSA-N 2 0 319.493 2.687 20 10 DFCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185345039 427636223 /nfs/dbraw/zinc/63/62/23/427636223.db2.gz MDCOEBISWXSQQJ-DLBZAZTESA-N 2 0 319.493 2.625 20 10 DFCDRP Cc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000185491701 427660617 /nfs/dbraw/zinc/66/06/17/427660617.db2.gz KCEBZYXOMNXVRF-HZPDHXFCSA-N 2 0 318.461 2.852 20 10 DFCDRP Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1C ZINC000365547163 429339418 /nfs/dbraw/zinc/33/94/18/429339418.db2.gz BMJQKQYDEMYSFQ-KZNAEPCWSA-N 2 0 300.446 2.925 20 10 DFCDRP COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000368806447 429895742 /nfs/dbraw/zinc/89/57/42/429895742.db2.gz NVSXTJJBAIKRLO-JJRVBVJISA-N 2 0 304.434 2.878 20 10 DFCDRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)ccc1O ZINC000185492717 333209358 /nfs/dbraw/zinc/20/93/58/333209358.db2.gz DRDAVUUZYKBGBE-KBPBESRZSA-N 2 0 322.424 2.683 20 10 DFCDRP COc1ccc(O)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000180363223 524735987 /nfs/dbraw/zinc/73/59/87/524735987.db2.gz LMRNGCGHOZUUJR-MRXNPFEDSA-N 2 0 304.434 2.851 20 10 DFCDRP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000273488081 130128254 /nfs/dbraw/zinc/12/82/54/130128254.db2.gz NQELBDPENBEJNJ-YJLNNSPDSA-N 2 0 318.461 2.729 20 10 DFCDRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1[O-] ZINC000285510030 131175577 /nfs/dbraw/zinc/17/55/77/131175577.db2.gz AOQTUEGRVSBBQK-KRWDZBQOSA-N 2 0 323.456 2.600 20 10 DFCDRP COc1cc(Cl)cc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1O ZINC000273699572 426709618 /nfs/dbraw/zinc/70/96/18/426709618.db2.gz CZKHZHSHBMJERQ-RISCZKNCSA-N 2 0 310.825 2.580 20 10 DFCDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1O ZINC000183620916 427304449 /nfs/dbraw/zinc/30/44/49/427304449.db2.gz AIOTVDYEOPKIFP-FNHZYXHNSA-N 2 0 318.461 2.811 20 10 DFCDRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1O ZINC000183520584 427288138 /nfs/dbraw/zinc/28/81/38/427288138.db2.gz ACKXBULIIKUDEY-LSDHHAIUSA-N 2 0 304.434 2.544 20 10 DFCDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185014447 427577764 /nfs/dbraw/zinc/57/77/64/427577764.db2.gz ASVZZQLVCROCQW-QGZVFWFLSA-N 2 0 319.493 2.769 20 10 DFCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185345057 427636545 /nfs/dbraw/zinc/63/65/45/427636545.db2.gz MDCOEBISWXSQQJ-IAGOWNOFSA-N 2 0 319.493 2.625 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000368326214 429831705 /nfs/dbraw/zinc/83/17/05/429831705.db2.gz FBEPYSCAYFWOTM-CVEARBPZSA-N 2 0 317.477 2.520 20 10 DFCDRP CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000175716535 333103306 /nfs/dbraw/zinc/10/33/06/333103306.db2.gz UHALWUGUGCNDPW-ABAIWWIYSA-N 2 0 308.397 2.648 20 10 DFCDRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)ccc1O ZINC000185492748 333209262 /nfs/dbraw/zinc/20/92/62/333209262.db2.gz DRDAVUUZYKBGBE-UONOGXRCSA-N 2 0 322.424 2.683 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000368326217 336842448 /nfs/dbraw/zinc/84/24/48/336842448.db2.gz FBEPYSCAYFWOTM-JKSUJKDBSA-N 2 0 317.477 2.520 20 10 DFCDRP Cc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1O ZINC000374992276 337001040 /nfs/dbraw/zinc/00/10/40/337001040.db2.gz WTRDYBGYDYXZHC-UHFFFAOYSA-N 2 0 318.461 2.635 20 10 DFCDRP Oc1ccc(Cl)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248342 340783725 /nfs/dbraw/zinc/78/37/25/340783725.db2.gz JKPHYNUHIIREKD-INIZCTEOSA-N 2 0 324.852 2.636 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000156095330 521346195 /nfs/dbraw/zinc/34/61/95/521346195.db2.gz GJSIRCUQTQOTLF-GDBMZVCRSA-N 2 0 304.434 2.707 20 10 DFCDRP COc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000180470741 524745801 /nfs/dbraw/zinc/74/58/01/524745801.db2.gz LGEAOIDKIOTVPN-HNNXBMFYSA-N 2 0 304.434 2.709 20 10 DFCDRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(O)c1C ZINC000273619822 130145748 /nfs/dbraw/zinc/14/57/48/130145748.db2.gz YQLQHIZPWNTZME-IAGOWNOFSA-N 2 0 320.477 2.897 20 10 DFCDRP Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(O)c1 ZINC000283849607 131029065 /nfs/dbraw/zinc/02/90/65/131029065.db2.gz BDXSMHBVZISDSF-MRXNPFEDSA-N 2 0 319.493 2.686 20 10 DFCDRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C)cc1O ZINC000280119741 426503457 /nfs/dbraw/zinc/50/34/57/426503457.db2.gz OGJSFIYCBSROPM-AEFFLSMTSA-N 2 0 319.493 2.625 20 10 DFCDRP C[NH+](C)CCCC[NH2+]Cc1cc(Br)ccc1O ZINC000227441855 426626488 /nfs/dbraw/zinc/62/64/88/426626488.db2.gz QAERJYLOHLXARG-UHFFFAOYSA-N 2 0 301.228 2.586 20 10 DFCDRP COc1ccc(O)c(C[NH2+]CCn2c(C)nc3ccccc32)c1 ZINC000237360660 426691763 /nfs/dbraw/zinc/69/17/63/426691763.db2.gz RHYZQJPZMFCXCO-UHFFFAOYSA-N 2 0 311.385 2.849 20 10 DFCDRP CCC[N@H+](CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1O ZINC000290488615 426774971 /nfs/dbraw/zinc/77/49/71/426774971.db2.gz OLOYUHWQEHXTSE-UHFFFAOYSA-N 2 0 310.438 2.573 20 10 DFCDRP COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1O ZINC000290409279 426758340 /nfs/dbraw/zinc/75/83/40/426758340.db2.gz JXTMHPUWHKJIFC-BXUZGUMPSA-N 2 0 312.841 2.826 20 10 DFCDRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268870209 427139024 /nfs/dbraw/zinc/13/90/24/427139024.db2.gz CZWVUGHIRUSKEL-HUUCEWRRSA-N 2 0 323.456 2.653 20 10 DFCDRP COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1O ZINC000184698430 427522508 /nfs/dbraw/zinc/52/25/08/427522508.db2.gz IYDYHHQKHGMCBL-BXUZGUMPSA-N 2 0 312.841 2.969 20 10 DFCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185345547 427638451 /nfs/dbraw/zinc/63/84/51/427638451.db2.gz SRWJFFZJVMCKEX-IAGOWNOFSA-N 2 0 319.493 2.625 20 10 DFCDRP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(O)c1 ZINC000185414887 427647099 /nfs/dbraw/zinc/64/70/99/427647099.db2.gz AZXDSIFNNRRIBU-JKSUJKDBSA-N 2 0 306.450 2.588 20 10 DFCDRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(C)cc1O ZINC000279996344 427725952 /nfs/dbraw/zinc/72/59/52/427725952.db2.gz FRMJFCOVCQBCOB-SJLPKXTDSA-N 2 0 319.493 2.767 20 10 DFCDRP CCOc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1O ZINC000371403148 428389230 /nfs/dbraw/zinc/38/92/30/428389230.db2.gz KJHAWXLFGOXAAR-ZACQAIPSSA-N 2 0 316.445 2.707 20 10 DFCDRP COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000364624848 429236424 /nfs/dbraw/zinc/23/64/24/429236424.db2.gz UZPRZKDAWPMQMK-KGLIPLIRSA-N 2 0 301.390 2.995 20 10 DFCDRP CC[C@@H](c1ccccc1O)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000366679029 429492742 /nfs/dbraw/zinc/49/27/42/429492742.db2.gz LZSNJPXABCPACT-AEFFLSMTSA-N 2 0 317.477 2.555 20 10 DFCDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC000367757470 429712414 /nfs/dbraw/zinc/71/24/14/429712414.db2.gz ZIDNTMSAUGGCSQ-VNQPRFMTSA-N 2 0 324.852 2.729 20 10 DFCDRP COc1cccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1O ZINC000093688606 278010141 /nfs/dbraw/zinc/01/01/41/278010141.db2.gz OINKTMISQDYQDF-UHFFFAOYSA-N 2 0 306.450 2.955 20 10 DFCDRP CC[C@H](c1ccccc1O)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000366679031 281024728 /nfs/dbraw/zinc/02/47/28/281024728.db2.gz LZSNJPXABCPACT-SJLPKXTDSA-N 2 0 317.477 2.555 20 10 DFCDRP Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000368326041 336842462 /nfs/dbraw/zinc/84/24/62/336842462.db2.gz DMKRZOOZZKCETK-CVEARBPZSA-N 2 0 317.477 2.520 20 10 DFCDRP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c1 ZINC000182404566 337188271 /nfs/dbraw/zinc/18/82/71/337188271.db2.gz XWSOTDWXZMBIQI-CYBMUJFWSA-N 2 0 324.384 2.832 20 10 DFCDRP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000131387925 520624177 /nfs/dbraw/zinc/62/41/77/520624177.db2.gz AOFPISLHUNHFFH-QGZVFWFLSA-N 2 0 319.493 2.906 20 10 DFCDRP COc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1O ZINC000156012309 525933610 /nfs/dbraw/zinc/93/36/10/525933610.db2.gz CLZMOZLKZFMENI-UHFFFAOYSA-N 2 0 304.434 2.709 20 10 DFCDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000165966603 286198215 /nfs/dbraw/zinc/19/82/15/286198215.db2.gz ALTFZOWPQLPHGG-YJBOKZPZSA-N 2 0 307.482 2.760 20 10 DFCDRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000062252930 425899936 /nfs/dbraw/zinc/89/99/36/425899936.db2.gz BEPDWVDTXHAEPG-IRXDYDNUSA-N 2 0 320.477 2.983 20 10 DFCDRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000163259702 426095027 /nfs/dbraw/zinc/09/50/27/426095027.db2.gz BCDFYOOLIBAVEL-MRXNPFEDSA-N 2 0 317.477 2.595 20 10 DFCDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000122928972 426404504 /nfs/dbraw/zinc/40/45/04/426404504.db2.gz AGRHSCPALVIEAX-RKVPGOIHSA-N 2 0 301.478 2.887 20 10 DFCDRP CCOc1ccc(O)c(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000093639571 426358097 /nfs/dbraw/zinc/35/80/97/426358097.db2.gz WBLHCNCMRDYMOW-PBHICJAKSA-N 2 0 306.450 2.953 20 10 DFCDRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCC)c2O)C1 ZINC000093742150 426358342 /nfs/dbraw/zinc/35/83/42/426358342.db2.gz MSQHKWYRWGFIJA-OAHLLOKOSA-N 2 0 306.450 2.955 20 10 DFCDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(C)cc1O ZINC000280294032 426542342 /nfs/dbraw/zinc/54/23/42/426542342.db2.gz ZKQXIPIDGGAQOK-SJLPKXTDSA-N 2 0 320.477 2.978 20 10 DFCDRP CCOc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1O ZINC000290387352 426753494 /nfs/dbraw/zinc/75/34/94/426753494.db2.gz INSVPTCIFQEIHV-MRXNPFEDSA-N 2 0 318.461 2.955 20 10 DFCDRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1O ZINC000183520556 427287448 /nfs/dbraw/zinc/28/74/48/427287448.db2.gz ACKXBULIIKUDEY-GJZGRUSLSA-N 2 0 304.434 2.544 20 10 DFCDRP COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1O ZINC000184698488 427522318 /nfs/dbraw/zinc/52/23/18/427522318.db2.gz IYDYHHQKHGMCBL-FZMZJTMJSA-N 2 0 312.841 2.969 20 10 DFCDRP C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Br)cc1O ZINC000185142521 427602820 /nfs/dbraw/zinc/60/28/20/427602820.db2.gz IQCDRSXOZPBZSL-PWSUYJOCSA-N 2 0 313.239 2.900 20 10 DFCDRP Cc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000372190056 428422453 /nfs/dbraw/zinc/42/24/53/428422453.db2.gz AUSXUBSNMHWQLA-JENIJYKNSA-N 2 0 318.461 2.693 20 10 DFCDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000373227917 428523866 /nfs/dbraw/zinc/52/38/66/428523866.db2.gz KXHJOESJYLTJNU-AWEZNQCLSA-N 2 0 315.417 2.904 20 10 DFCDRP COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000364624849 429237108 /nfs/dbraw/zinc/23/71/08/429237108.db2.gz UZPRZKDAWPMQMK-UONOGXRCSA-N 2 0 301.390 2.995 20 10 DFCDRP C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(F)cc1[O-] ZINC000368478742 429855254 /nfs/dbraw/zinc/85/52/54/429855254.db2.gz VVMWTNIMQPZRFR-GFCCVEGCSA-N 2 0 303.381 2.957 20 10 DFCDRP COc1ccc(N2CCC([NH2+]CCC[NH+]3CCCC3)CC2)cc1 ZINC000372778292 336939275 /nfs/dbraw/zinc/93/92/75/336939275.db2.gz BPSQHIOCKYITJG-UHFFFAOYSA-N 2 0 317.477 2.740 20 10 DFCDRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1O ZINC000373459153 336961085 /nfs/dbraw/zinc/96/10/85/336961085.db2.gz DONHQQVVTJPLFP-QAPCUYQASA-N 2 0 317.477 2.601 20 10 DFCDRP COc1ccc(N2CCC([NH2+]CC3=CC[N@H+](C)CC3)CC2)cc1 ZINC000378458741 337073310 /nfs/dbraw/zinc/07/33/10/337073310.db2.gz SDBRTBJGPXFHEJ-UHFFFAOYSA-N 2 0 315.461 2.516 20 10 DFCDRP COc1cc(Cl)cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000184697704 337199810 /nfs/dbraw/zinc/19/98/10/337199810.db2.gz JEQMFMPPABASHY-CYBMUJFWSA-N 2 0 324.852 2.972 20 10 DFCDRP COc1ccc(N2CCC([NH2+]CC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000132133981 337440928 /nfs/dbraw/zinc/44/09/28/337440928.db2.gz HBMWUXMZNJKPBB-UHFFFAOYSA-N 2 0 319.493 2.841 20 10 DFCDRP CCCOc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(O)c1 ZINC000156011684 520345556 /nfs/dbraw/zinc/34/55/56/520345556.db2.gz AQZRLTZTJQZZRH-UHFFFAOYSA-N 2 0 306.450 2.955 20 10 DFCDRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000159090474 523298261 /nfs/dbraw/zinc/29/82/61/523298261.db2.gz KCJWBMRRPGFKPY-MRXNPFEDSA-N 2 0 319.493 2.904 20 10 DFCDRP Oc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180284001 526348709 /nfs/dbraw/zinc/34/87/09/526348709.db2.gz RXGRYKOXHGVWGI-DYVFJYSZSA-N 2 0 304.409 2.980 20 10 DFCDRP