smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ncc(O[C@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CCN3C2)cn1 ZINC001164743758 720707199 /nfs/dbraw/zinc/70/71/99/720707199.db2.gz YEVVOGOAQGTIBQ-CVEARBPZSA-N 1 3 382.472 0.018 20 0 GCADHO CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc5c(nn4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889764 721422525 /nfs/dbraw/zinc/42/25/25/721422525.db2.gz RJSXLHBTJZHHCE-NQIIRXRSSA-N 1 3 386.544 0.888 20 0 GCADHO CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc5c(nn4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889767 721422630 /nfs/dbraw/zinc/42/26/30/721422630.db2.gz RJSXLHBTJZHHCE-RXVVDRJESA-N 1 3 386.544 0.888 20 0 GCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)C2)C1 ZINC001571282700 945858424 /nfs/dbraw/zinc/85/84/24/945858424.db2.gz NXCNATIMBCQGDZ-ZFWWWQNUSA-N 1 3 387.463 0.896 20 0 GCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)C2)C1 ZINC001571282700 945858444 /nfs/dbraw/zinc/85/84/44/945858444.db2.gz NXCNATIMBCQGDZ-ZFWWWQNUSA-N 1 3 387.463 0.896 20 0 GCADHO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574930660 949107000 /nfs/dbraw/zinc/10/70/00/949107000.db2.gz LGINVCMVZKLWMK-AWEZNQCLSA-N 1 3 387.488 0.572 20 0 GCADHO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574930660 949106987 /nfs/dbraw/zinc/10/69/87/949106987.db2.gz LGINVCMVZKLWMK-AWEZNQCLSA-N 1 3 387.488 0.572 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574955771 949574500 /nfs/dbraw/zinc/57/45/00/949574500.db2.gz DYYCFABMLCBKGE-OUCADQQQSA-N 1 3 375.452 0.940 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574955771 949574511 /nfs/dbraw/zinc/57/45/11/949574511.db2.gz DYYCFABMLCBKGE-OUCADQQQSA-N 1 3 375.452 0.940 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574955771 949574523 /nfs/dbraw/zinc/57/45/23/949574523.db2.gz DYYCFABMLCBKGE-OUCADQQQSA-N 1 3 375.452 0.940 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574955771 949574535 /nfs/dbraw/zinc/57/45/35/949574535.db2.gz DYYCFABMLCBKGE-OUCADQQQSA-N 1 3 375.452 0.940 20 0 GCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574714055 949617149 /nfs/dbraw/zinc/61/71/49/949617149.db2.gz ZXZLGJLSOWKVJO-GXTWGEPZSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574714055 949617165 /nfs/dbraw/zinc/61/71/65/949617165.db2.gz ZXZLGJLSOWKVJO-GXTWGEPZSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574714055 949617180 /nfs/dbraw/zinc/61/71/80/949617180.db2.gz ZXZLGJLSOWKVJO-GXTWGEPZSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574714055 949617195 /nfs/dbraw/zinc/61/71/95/949617195.db2.gz ZXZLGJLSOWKVJO-GXTWGEPZSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575080714 951713969 /nfs/dbraw/zinc/71/39/69/951713969.db2.gz NDCZKKFJZIAWRB-STQMWFEESA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575080714 951713978 /nfs/dbraw/zinc/71/39/78/951713978.db2.gz NDCZKKFJZIAWRB-STQMWFEESA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575080714 951713983 /nfs/dbraw/zinc/71/39/83/951713983.db2.gz NDCZKKFJZIAWRB-STQMWFEESA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575080714 951713989 /nfs/dbraw/zinc/71/39/89/951713989.db2.gz NDCZKKFJZIAWRB-STQMWFEESA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101248 951856009 /nfs/dbraw/zinc/85/60/09/951856009.db2.gz BGJCAJYCHCHWEL-TZMCWYRMSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101248 951856014 /nfs/dbraw/zinc/85/60/14/951856014.db2.gz BGJCAJYCHCHWEL-TZMCWYRMSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101248 951856018 /nfs/dbraw/zinc/85/60/18/951856018.db2.gz BGJCAJYCHCHWEL-TZMCWYRMSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101248 951856022 /nfs/dbraw/zinc/85/60/22/951856022.db2.gz BGJCAJYCHCHWEL-TZMCWYRMSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575101514 951859350 /nfs/dbraw/zinc/85/93/50/951859350.db2.gz GEOITPWCNZNAOT-OCCSQVGLSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575101514 951859354 /nfs/dbraw/zinc/85/93/54/951859354.db2.gz GEOITPWCNZNAOT-OCCSQVGLSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575101514 951859357 /nfs/dbraw/zinc/85/93/57/951859357.db2.gz GEOITPWCNZNAOT-OCCSQVGLSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575101514 951859361 /nfs/dbraw/zinc/85/93/61/951859361.db2.gz GEOITPWCNZNAOT-OCCSQVGLSA-N 1 3 375.452 0.894 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CS[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000050801265 530508506 /nfs/dbraw/zinc/50/85/06/530508506.db2.gz ZLCODBRDAUPSEB-INIZCTEOSA-N 1 3 389.587 0.582 20 0 GCADHO CC(C)C[C@H](NS(=O)(=O)CCCN(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000641600839 530760052 /nfs/dbraw/zinc/76/00/52/530760052.db2.gz UFPPZHFQPHOVGI-CVEARBPZSA-N 1 3 376.567 0.435 20 0 GCADHO CN(CCCNCc1cn(C)nc1I)CC[NH+](C)C ZINC000922276134 640109191 /nfs/dbraw/zinc/10/91/91/640109191.db2.gz YZJUEEFJRKGWSK-UHFFFAOYSA-N 1 3 379.290 0.998 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000130614283 641747335 /nfs/dbraw/zinc/74/73/35/641747335.db2.gz QMDVTUZGSNWKJT-UHFFFAOYSA-N 1 3 386.294 0.734 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000661980361 1192211373 /nfs/dbraw/zinc/21/13/73/1192211373.db2.gz AUROIRUNCWJPKQ-QRVBRYPASA-N 1 3 380.533 0.917 20 0 GCADHO O=C(NCCN1CCCCC1)[C@@H]1CC[C@@H](C(=O)NCC[NH+]2CCCCC2)O1 ZINC000188260829 1192256091 /nfs/dbraw/zinc/25/60/91/1192256091.db2.gz VXOMIMJAZFMZGV-ROUUACIJSA-N 1 3 380.533 0.738 20 0 GCADHO O=c1cc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)[nH]c2ccnn21 ZINC000662338769 1192285445 /nfs/dbraw/zinc/28/54/45/1192285445.db2.gz VUFDHPCQEHYMAT-CQSZACIVSA-N 1 3 382.472 0.535 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643502286 1192368771 /nfs/dbraw/zinc/36/87/71/1192368771.db2.gz BXKDZOSLJMFIGG-OTWHNJEPSA-N 1 3 394.560 0.794 20 0 GCADHO CC(C)[NH+](CCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C(C)C ZINC000669184032 1192373708 /nfs/dbraw/zinc/37/37/08/1192373708.db2.gz VZROSAUOJGVQAA-SFHVURJKSA-N 1 3 382.549 0.981 20 0 GCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652675442 1192450429 /nfs/dbraw/zinc/45/04/29/1192450429.db2.gz XFBXXQBMLQXGFI-WNRNVDISSA-N 1 3 380.533 0.722 20 0 GCADHO CCC1(CC)NC(=O)N(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000050802781 1192501698 /nfs/dbraw/zinc/50/16/98/1192501698.db2.gz FLJZDUTXTKXTHW-UHFFFAOYSA-N 1 3 393.532 0.772 20 0 GCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000509735677 1192530819 /nfs/dbraw/zinc/53/08/19/1192530819.db2.gz GDMMVFVYGFKGQB-SJLPKXTDSA-N 1 3 380.533 0.546 20 0 GCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000509735677 1192530821 /nfs/dbraw/zinc/53/08/21/1192530821.db2.gz GDMMVFVYGFKGQB-SJLPKXTDSA-N 1 3 380.533 0.546 20 0 GCADHO COC(=O)C1CCN(C(=O)c2cccnc2NC(=N)NCCCC[NH3+])CC1 ZINC001167877586 1192559725 /nfs/dbraw/zinc/55/97/25/1192559725.db2.gz FMXVJPGQPJKJDO-UHFFFAOYSA-N 1 3 376.461 0.782 20 0 GCADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)NC(=O)NC1CCCCC1 ZINC000512240282 1192568304 /nfs/dbraw/zinc/56/83/04/1192568304.db2.gz HRHMKLZUZMIPIB-KRWDZBQOSA-N 1 3 397.564 0.513 20 0 GCADHO C[NH+](C)CCOc1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccn1 ZINC000512286955 1192599799 /nfs/dbraw/zinc/59/97/99/1192599799.db2.gz FAPFPXUFAQHQNY-UHFFFAOYSA-N 1 3 389.500 0.402 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000418635860 1192624349 /nfs/dbraw/zinc/62/43/49/1192624349.db2.gz GAHQZAYHAMTGOQ-UHFFFAOYSA-N 1 3 383.537 0.198 20 0 GCADHO COC[C@]1(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CCC[NH2+]1 ZINC000418657599 1192624962 /nfs/dbraw/zinc/62/49/62/1192624962.db2.gz RIEBKKCUQXSRIH-QKNQBKEWSA-N 1 3 390.528 0.937 20 0 GCADHO COC[C@]1(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CCC[NH2+]1 ZINC000418657604 1192625013 /nfs/dbraw/zinc/62/50/13/1192625013.db2.gz RIEBKKCUQXSRIH-SVFBPWRDSA-N 1 3 390.528 0.937 20 0 GCADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418776751 1192642875 /nfs/dbraw/zinc/64/28/75/1192642875.db2.gz GRLPJACMZLXNSY-QGZVFWFLSA-N 1 3 375.517 0.416 20 0 GCADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418785579 1192643309 /nfs/dbraw/zinc/64/33/09/1192643309.db2.gz RFMNVQXUQVXMAH-SFHVURJKSA-N 1 3 387.528 0.573 20 0 GCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)Cc1ccccc1 ZINC000418848305 1192665122 /nfs/dbraw/zinc/66/51/22/1192665122.db2.gz LBQOVNINMAZVDJ-GOSISDBHSA-N 1 3 390.528 0.632 20 0 GCADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000418869420 1192673016 /nfs/dbraw/zinc/67/30/16/1192673016.db2.gz XDMALWIZKGGVAU-ZWKOTPCHSA-N 1 3 376.501 0.680 20 0 GCADHO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC[C@H](N)c2ccccc2)ccn1 ZINC000418952287 1192699824 /nfs/dbraw/zinc/69/98/24/1192699824.db2.gz JXIGIHGKTLQGRV-KRWDZBQOSA-N 1 3 385.468 0.454 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000418955862 1192701599 /nfs/dbraw/zinc/70/15/99/1192701599.db2.gz RFEACGHNYAEXOK-PQEBFOHHSA-N 1 3 396.532 0.100 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000418996791 1192712180 /nfs/dbraw/zinc/71/21/80/1192712180.db2.gz KOAUFIUMCOQRRR-WBVHZDCISA-N 1 3 376.501 0.854 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000418996791 1192712184 /nfs/dbraw/zinc/71/21/84/1192712184.db2.gz KOAUFIUMCOQRRR-WBVHZDCISA-N 1 3 376.501 0.854 20 0 GCADHO C[C@H]1CC[C@@H](CNC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)O1 ZINC000419002298 1192713815 /nfs/dbraw/zinc/71/38/15/1192713815.db2.gz ZHYDDTLXHOBHBP-WMZOPIPTSA-N 1 3 388.512 0.780 20 0 GCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419020417 1192722206 /nfs/dbraw/zinc/72/22/06/1192722206.db2.gz FSRXAIGBVHUXRO-HLLBOEOZSA-N 1 3 391.520 0.137 20 0 GCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419020417 1192722209 /nfs/dbraw/zinc/72/22/09/1192722209.db2.gz FSRXAIGBVHUXRO-HLLBOEOZSA-N 1 3 391.520 0.137 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419026764 1192728531 /nfs/dbraw/zinc/72/85/31/1192728531.db2.gz NSCOFKDJQNKPDA-KCITZHQASA-N 1 3 394.560 0.968 20 0 GCADHO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000419104208 1192791733 /nfs/dbraw/zinc/79/17/33/1192791733.db2.gz ACHBRUVBIQCXRH-QGZVFWFLSA-N 1 3 388.516 0.050 20 0 GCADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419132081 1192806535 /nfs/dbraw/zinc/80/65/35/1192806535.db2.gz AUTIEKPNBYHNJJ-RXVVDRJESA-N 1 3 388.512 0.591 20 0 GCADHO O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419132932 1192807238 /nfs/dbraw/zinc/80/72/38/1192807238.db2.gz CECWFXRHCWQBLJ-IBGZPJMESA-N 1 3 388.512 0.652 20 0 GCADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419160464 1192818111 /nfs/dbraw/zinc/81/81/11/1192818111.db2.gz HLIMUYVLDOZFAB-QZTJIDSGSA-N 1 3 376.501 0.445 20 0 GCADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419160465 1192818548 /nfs/dbraw/zinc/81/85/48/1192818548.db2.gz HLIMUYVLDOZFAB-ROUUACIJSA-N 1 3 376.501 0.445 20 0 GCADHO NC1(CNC(=O)C(=O)NCCc2cccnc2)CC[NH+](Cc2ccccc2)CC1 ZINC000419161458 1192819090 /nfs/dbraw/zinc/81/90/90/1192819090.db2.gz IXNOUSOCCRTPTR-UHFFFAOYSA-N 1 3 395.507 0.850 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N1CCC(C)CC1 ZINC000419162032 1192820852 /nfs/dbraw/zinc/82/08/52/1192820852.db2.gz SWGJZPBXBPYSCU-IRXDYDNUSA-N 1 3 395.548 0.069 20 0 GCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419164366 1192821351 /nfs/dbraw/zinc/82/13/51/1192821351.db2.gz LSYDIEKNNPVGNO-UHOSZYNNSA-N 1 3 388.512 0.589 20 0 GCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419164370 1192821987 /nfs/dbraw/zinc/82/19/87/1192821987.db2.gz LSYDIEKNNPVGNO-YTQUADARSA-N 1 3 388.512 0.589 20 0 GCADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419166115 1192822101 /nfs/dbraw/zinc/82/21/01/1192822101.db2.gz OJSVJJJAJWLDLL-RTBURBONSA-N 1 3 388.512 0.510 20 0 GCADHO COC[C@H](C)CNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419155462 1192823402 /nfs/dbraw/zinc/82/34/02/1192823402.db2.gz TXCPTNGNJOLYEK-MRXNPFEDSA-N 1 3 376.501 0.495 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[NH+]1CCC(C)CC1 ZINC000419156078 1192825004 /nfs/dbraw/zinc/82/50/04/1192825004.db2.gz JDWWCAOQHZNGOY-NVXWUHKLSA-N 1 3 391.520 0.137 20 0 GCADHO [NH3+]CC1CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000419171176 1192825565 /nfs/dbraw/zinc/82/55/65/1192825565.db2.gz XEIDPIWNIIXEPS-IBGZPJMESA-N 1 3 388.512 0.591 20 0 GCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419172289 1192825993 /nfs/dbraw/zinc/82/59/93/1192825993.db2.gz YWVNAYOBWTZETP-OALUTQOASA-N 1 3 390.528 0.883 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC[C@@H]1[NH3+] ZINC000419168356 1192829536 /nfs/dbraw/zinc/82/95/36/1192829536.db2.gz RSQAKNYAORHXGB-NEWSRXKRSA-N 1 3 388.512 0.589 20 0 GCADHO CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3CNCCO3)cc2)CC1 ZINC000419182562 1192834430 /nfs/dbraw/zinc/83/44/30/1192834430.db2.gz CKIZHMZUNJXHSD-LJQANCHMSA-N 1 3 388.512 0.639 20 0 GCADHO CCN1CC[C@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000893873873 1192870496 /nfs/dbraw/zinc/87/04/96/1192870496.db2.gz RNARCXDRFXQTEK-IYBDPMFKSA-N 1 3 382.549 0.981 20 0 GCADHO CCN1CC[C@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000893873873 1192870502 /nfs/dbraw/zinc/87/05/02/1192870502.db2.gz RNARCXDRFXQTEK-IYBDPMFKSA-N 1 3 382.549 0.981 20 0 GCADHO CCN1CC[C@@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000893873873 1192870509 /nfs/dbraw/zinc/87/05/09/1192870509.db2.gz RNARCXDRFXQTEK-IYBDPMFKSA-N 1 3 382.549 0.981 20 0 GCADHO CCN1CC[C@@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000893873873 1192870516 /nfs/dbraw/zinc/87/05/16/1192870516.db2.gz RNARCXDRFXQTEK-IYBDPMFKSA-N 1 3 382.549 0.981 20 0 GCADHO C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)ccn1 ZINC000893914303 1192875859 /nfs/dbraw/zinc/87/58/59/1192875859.db2.gz NJAMWYUPKLVMKR-MSOLQXFVSA-N 1 3 391.516 0.763 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCN1C1CC[NH+](C)CC1 ZINC000410727994 1192880347 /nfs/dbraw/zinc/88/03/47/1192880347.db2.gz CXAWVUQYZXUFPW-SCTDSRPQSA-N 1 3 391.560 0.308 20 0 GCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000410886946 1192913657 /nfs/dbraw/zinc/91/36/57/1192913657.db2.gz PESAEOMSMNZHMH-RTBURBONSA-N 1 3 395.592 0.802 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000643542147 1184121108 /nfs/dbraw/zinc/12/11/08/1184121108.db2.gz XTEVXBRBCMDEHL-QAPCUYQASA-N 1 3 392.500 0.160 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)N3CCCC3)[C@@H](O)C2)CC[N@@H+]1C ZINC000969511768 1184333003 /nfs/dbraw/zinc/33/30/03/1184333003.db2.gz BABRAXQYGDNFRH-HZMVEIRTSA-N 1 3 380.533 0.279 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)N3CCCC3)[C@@H](O)C2)CC[N@H+]1C ZINC000969511768 1184333008 /nfs/dbraw/zinc/33/30/08/1184333008.db2.gz BABRAXQYGDNFRH-HZMVEIRTSA-N 1 3 380.533 0.279 20 0 GCADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000154776898 1184469924 /nfs/dbraw/zinc/46/99/24/1184469924.db2.gz IEPAOKQGCUEKRX-UHFFFAOYSA-N 1 3 377.445 0.115 20 0 GCADHO O=C1C[C@@H](NC2CC[NH+](C[C@H]3CCCO3)CC2)CN1CCN1CCOCC1 ZINC000655730824 1184789970 /nfs/dbraw/zinc/78/99/70/1184789970.db2.gz UFNUMUPUYCLCCC-RTBURBONSA-N 1 3 380.533 0.153 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000579996609 1184896094 /nfs/dbraw/zinc/89/60/94/1184896094.db2.gz FBNFITLDXVRAOV-UKBAYJJMSA-N 1 3 394.560 0.717 20 0 GCADHO CC(C)(CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCCCC1 ZINC000580476860 1185245257 /nfs/dbraw/zinc/24/52/57/1185245257.db2.gz MFAPTKQKHCGKAK-ZWKOTPCHSA-N 1 3 394.560 0.861 20 0 GCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656308852 1185384168 /nfs/dbraw/zinc/38/41/68/1185384168.db2.gz JGXFECWSNLUSJB-ZWKOTPCHSA-N 1 3 380.533 0.737 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CCOC)c1 ZINC000275993629 1185388462 /nfs/dbraw/zinc/38/84/62/1185388462.db2.gz KBTUTIBSZNBLFT-KRWDZBQOSA-N 1 3 394.520 0.343 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CCOC)c1 ZINC000275993629 1185388467 /nfs/dbraw/zinc/38/84/67/1185388467.db2.gz KBTUTIBSZNBLFT-KRWDZBQOSA-N 1 3 394.520 0.343 20 0 GCADHO Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001707885946 1185402240 /nfs/dbraw/zinc/40/22/40/1185402240.db2.gz CJVRRHLXVBQMAH-QUCCMNQESA-N 1 3 391.564 0.258 20 0 GCADHO Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001707885946 1185402242 /nfs/dbraw/zinc/40/22/42/1185402242.db2.gz CJVRRHLXVBQMAH-QUCCMNQESA-N 1 3 391.564 0.258 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656326729 1185422523 /nfs/dbraw/zinc/42/25/23/1185422523.db2.gz CLLAKDVOTIURTF-HCXYKTFWSA-N 1 3 392.544 0.614 20 0 GCADHO CN1CCN(Cc2ccc(CNC(=O)NCCOCC[NH+](C)C)cc2)CC1 ZINC000471633376 1185443786 /nfs/dbraw/zinc/44/37/86/1185443786.db2.gz FUMXKSTWTBYMAI-UHFFFAOYSA-N 1 3 377.533 0.811 20 0 GCADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656353655 1185449453 /nfs/dbraw/zinc/44/94/53/1185449453.db2.gz BRVXSHFMYCBLGN-ROUUACIJSA-N 1 3 380.533 0.425 20 0 GCADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656353655 1185449457 /nfs/dbraw/zinc/44/94/57/1185449457.db2.gz BRVXSHFMYCBLGN-ROUUACIJSA-N 1 3 380.533 0.425 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnccc1OC ZINC000276010366 1185459445 /nfs/dbraw/zinc/45/94/45/1185459445.db2.gz LYENAKNWSVXUPH-OAHLLOKOSA-N 1 3 377.489 0.903 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnccc1OC ZINC000276010366 1185459452 /nfs/dbraw/zinc/45/94/52/1185459452.db2.gz LYENAKNWSVXUPH-OAHLLOKOSA-N 1 3 377.489 0.903 20 0 GCADHO C[NH+](C)CCOCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000471637543 1185472084 /nfs/dbraw/zinc/47/20/84/1185472084.db2.gz XGHIPFOCDWQDGA-OALUTQOASA-N 1 3 378.517 0.747 20 0 GCADHO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000581063702 1185481402 /nfs/dbraw/zinc/48/14/02/1185481402.db2.gz NOSPJXDIOSKPAD-PBHICJAKSA-N 1 3 380.533 0.591 20 0 GCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581082393 1185489423 /nfs/dbraw/zinc/48/94/23/1185489423.db2.gz JHWFZKGPWTYVST-WZGPROSRSA-N 1 3 385.512 0.850 20 0 GCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581082393 1185489430 /nfs/dbraw/zinc/48/94/30/1185489430.db2.gz JHWFZKGPWTYVST-WZGPROSRSA-N 1 3 385.512 0.850 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(C)COC2)[C@H](O)OC(C)(C)C)C1 ZINC001143391329 1185601268 /nfs/dbraw/zinc/60/12/68/1185601268.db2.gz RMSYWVCVZYJKQT-NBFUAULTSA-N 1 3 387.521 0.319 20 0 GCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000581511444 1185734534 /nfs/dbraw/zinc/73/45/34/1185734534.db2.gz MEHVTHOTENZZLM-ROUUACIJSA-N 1 3 382.549 0.669 20 0 GCADHO [NH3+]CCNC(=O)[C@H]1CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430620721 1185795551 /nfs/dbraw/zinc/79/55/51/1185795551.db2.gz BOXRIDWYWDEDBR-HNNXBMFYSA-N 1 3 383.496 0.840 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891483485 1185887378 /nfs/dbraw/zinc/88/73/78/1185887378.db2.gz QJMXKGGCZLWFDW-KBPBESRZSA-N 1 3 375.464 0.473 20 0 GCADHO COc1cccc([C@H]2CNCCN2C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000891528251 1185905490 /nfs/dbraw/zinc/90/54/90/1185905490.db2.gz NVNWXRSAPLXVIY-QFBILLFUSA-N 1 3 375.517 0.987 20 0 GCADHO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000891566284 1185920989 /nfs/dbraw/zinc/92/09/89/1185920989.db2.gz TZOXBXXSFGOBNU-PMACEKPBSA-N 1 3 387.528 0.407 20 0 GCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc2)CC1 ZINC000785075521 1185959227 /nfs/dbraw/zinc/95/92/27/1185959227.db2.gz ZVLHXLSULUHKOJ-UHFFFAOYSA-N 1 3 391.516 0.461 20 0 GCADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000430936702 1186057570 /nfs/dbraw/zinc/05/75/70/1186057570.db2.gz WACFUWXEKPXOGD-MRXNPFEDSA-N 1 3 394.541 0.579 20 0 GCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000933847122 1186108753 /nfs/dbraw/zinc/10/87/53/1186108753.db2.gz LYAHUKYBTLJIQV-UHFFFAOYSA-N 1 3 394.560 0.938 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000582203711 1186463314 /nfs/dbraw/zinc/46/33/14/1186463314.db2.gz QCCZDIGNWWEFFJ-QRVBRYPASA-N 1 3 392.544 0.567 20 0 GCADHO Cc1cccc(N2CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC2)c1 ZINC000582346478 1186500897 /nfs/dbraw/zinc/50/08/97/1186500897.db2.gz HIKZYWYZMQLMKK-UHFFFAOYSA-N 1 3 389.544 0.595 20 0 GCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000582532605 1186558724 /nfs/dbraw/zinc/55/87/24/1186558724.db2.gz BWHHZNARDRPRRO-RTBURBONSA-N 1 3 393.576 0.556 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000582680705 1186607611 /nfs/dbraw/zinc/60/76/11/1186607611.db2.gz LRECSKAJIOBUDS-ROUUACIJSA-N 1 3 379.549 0.073 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[C@@H]2F)[C@H](O)OC(C)(C)C)C1 ZINC001143446067 1186614501 /nfs/dbraw/zinc/61/45/01/1186614501.db2.gz PIIFPMLGHFUTOK-ZNLMQHJKSA-N 1 3 375.485 0.640 20 0 GCADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N1CCCC[C@H]1C ZINC000582701986 1186616557 /nfs/dbraw/zinc/61/65/57/1186616557.db2.gz WTXWPGQABFZAHM-CVEARBPZSA-N 1 3 390.532 1.467 20 0 GCADHO CN1CCN(C)[C@@H](CNC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000583621689 1186902234 /nfs/dbraw/zinc/90/22/34/1186902234.db2.gz VWDUMCHJLRBYJR-IRXDYDNUSA-N 1 3 395.935 0.421 20 0 GCADHO CN1CCN(C)[C@@H](CNC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000583621687 1186902252 /nfs/dbraw/zinc/90/22/52/1186902252.db2.gz VWDUMCHJLRBYJR-DLBZAZTESA-N 1 3 395.935 0.421 20 0 GCADHO COC(=O)Cn1cc(CCN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nn1 ZINC000158104265 1186959830 /nfs/dbraw/zinc/95/98/30/1186959830.db2.gz MDOIEEHDPNJKMK-HZPDHXFCSA-N 1 3 379.505 0.815 20 0 GCADHO CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151474077 1186983745 /nfs/dbraw/zinc/98/37/45/1186983745.db2.gz GIACSFFTXHTPCC-UHFFFAOYSA-N 1 3 386.500 0.974 20 0 GCADHO C[C@H](O)CN1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000248638356 1187029395 /nfs/dbraw/zinc/02/93/95/1187029395.db2.gz QUWNAFZJSSCJBO-IRXDYDNUSA-N 1 3 390.532 0.430 20 0 GCADHO CN1CCN(C)[C@H](CNC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000431615699 1187179671 /nfs/dbraw/zinc/17/96/71/1187179671.db2.gz ACCHQIQXAPDDBB-QGZVFWFLSA-N 1 3 396.580 0.158 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2CCCCO2)CC1 ZINC000658535751 1187337205 /nfs/dbraw/zinc/33/72/05/1187337205.db2.gz JMYUPIJPKLLPNB-GOSISDBHSA-N 1 3 382.549 0.746 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612446809 1187493560 /nfs/dbraw/zinc/49/35/60/1187493560.db2.gz XLNFHDQJTLGPAP-SFHVURJKSA-N 1 3 393.576 0.606 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612446809 1187493563 /nfs/dbraw/zinc/49/35/63/1187493563.db2.gz XLNFHDQJTLGPAP-SFHVURJKSA-N 1 3 393.576 0.606 20 0 GCADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612594372 1187534743 /nfs/dbraw/zinc/53/47/43/1187534743.db2.gz LEBPRHXFMGDTFL-SFHVURJKSA-N 1 3 382.549 0.936 20 0 GCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000612595933 1187536457 /nfs/dbraw/zinc/53/64/57/1187536457.db2.gz LKVLNDFBYUSHNW-WMZOPIPTSA-N 1 3 378.517 0.300 20 0 GCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612597005 1187536475 /nfs/dbraw/zinc/53/64/75/1187536475.db2.gz ZLBVBFJXWLTSQU-AEFFLSMTSA-N 1 3 380.533 0.450 20 0 GCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612597005 1187536478 /nfs/dbraw/zinc/53/64/78/1187536478.db2.gz ZLBVBFJXWLTSQU-AEFFLSMTSA-N 1 3 380.533 0.450 20 0 GCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612597007 1187536515 /nfs/dbraw/zinc/53/65/15/1187536515.db2.gz ZLBVBFJXWLTSQU-SJLPKXTDSA-N 1 3 380.533 0.450 20 0 GCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612597007 1187536518 /nfs/dbraw/zinc/53/65/18/1187536518.db2.gz ZLBVBFJXWLTSQU-SJLPKXTDSA-N 1 3 380.533 0.450 20 0 GCADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612597723 1187537501 /nfs/dbraw/zinc/53/75/01/1187537501.db2.gz LGHSIWKPZGHECQ-SFHVURJKSA-N 1 3 382.549 0.936 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000612599141 1187538462 /nfs/dbraw/zinc/53/84/62/1187538462.db2.gz PUJVEIRPQHJZQH-ZWKOTPCHSA-N 1 3 378.517 0.443 20 0 GCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000612598318 1187538793 /nfs/dbraw/zinc/53/87/93/1187538793.db2.gz BUQHVVWXLNMAOQ-MSOLQXFVSA-N 1 3 378.517 0.443 20 0 GCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000612598320 1187538816 /nfs/dbraw/zinc/53/88/16/1187538816.db2.gz BUQHVVWXLNMAOQ-ROUUACIJSA-N 1 3 378.517 0.443 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)[C@H]1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000613327861 1187720174 /nfs/dbraw/zinc/72/01/74/1187720174.db2.gz DDRZGPNZSNPWQP-DSWGTCOTSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)[C@H]1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000613327861 1187720179 /nfs/dbraw/zinc/72/01/79/1187720179.db2.gz DDRZGPNZSNPWQP-DSWGTCOTSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[C@H]1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000613327861 1187720181 /nfs/dbraw/zinc/72/01/81/1187720181.db2.gz DDRZGPNZSNPWQP-DSWGTCOTSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000613327861 1187720186 /nfs/dbraw/zinc/72/01/86/1187720186.db2.gz DDRZGPNZSNPWQP-DSWGTCOTSA-N 1 3 388.556 0.974 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc2)CC1 ZINC000647594896 1187906311 /nfs/dbraw/zinc/90/63/11/1187906311.db2.gz XVCOREHWJAVTTJ-IAGOWNOFSA-N 1 3 389.544 0.682 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2ccncc2)CC1 ZINC000659318557 1187943286 /nfs/dbraw/zinc/94/32/86/1187943286.db2.gz FSELOATWMBVGCS-UHFFFAOYSA-N 1 3 375.517 0.739 20 0 GCADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)CC2)C1 ZINC000659345139 1187945519 /nfs/dbraw/zinc/94/55/19/1187945519.db2.gz DAMVUSZAYXRWFN-MOPGFXCFSA-N 1 3 391.560 0.312 20 0 GCADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)CC2)C1 ZINC000659345139 1187945521 /nfs/dbraw/zinc/94/55/21/1187945521.db2.gz DAMVUSZAYXRWFN-MOPGFXCFSA-N 1 3 391.560 0.312 20 0 GCADHO CC[C@H](C)N1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000659344748 1187946821 /nfs/dbraw/zinc/94/68/21/1187946821.db2.gz JHUJCPLTKWZDQL-PKOBYXMFSA-N 1 3 393.576 0.556 20 0 GCADHO CC[C@H](C)N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000659344748 1187946823 /nfs/dbraw/zinc/94/68/23/1187946823.db2.gz JHUJCPLTKWZDQL-PKOBYXMFSA-N 1 3 393.576 0.556 20 0 GCADHO CC[C@H](C)N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000659344748 1187946825 /nfs/dbraw/zinc/94/68/25/1187946825.db2.gz JHUJCPLTKWZDQL-PKOBYXMFSA-N 1 3 393.576 0.556 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000642960069 1187951321 /nfs/dbraw/zinc/95/13/21/1187951321.db2.gz ZPFXGPLOIINGBY-RYQLBKOJSA-N 1 3 388.512 0.949 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000642960069 1187951322 /nfs/dbraw/zinc/95/13/22/1187951322.db2.gz ZPFXGPLOIINGBY-RYQLBKOJSA-N 1 3 388.512 0.949 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000659470458 1187962318 /nfs/dbraw/zinc/96/23/18/1187962318.db2.gz BUOBHWLVQHOAIQ-CABCVRRESA-N 1 3 378.477 0.208 20 0 GCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000659513457 1187967478 /nfs/dbraw/zinc/96/74/78/1187967478.db2.gz YDFVFQDSZZUXQU-CGTJXYLNSA-N 1 3 378.517 0.251 20 0 GCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000659513457 1187967479 /nfs/dbraw/zinc/96/74/79/1187967479.db2.gz YDFVFQDSZZUXQU-CGTJXYLNSA-N 1 3 378.517 0.251 20 0 GCADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC1CCN([C@H]2CCOC2)CC1 ZINC000659541151 1187968754 /nfs/dbraw/zinc/96/87/54/1187968754.db2.gz ZTMLIVDUJSIESJ-GJZGRUSLSA-N 1 3 393.454 0.375 20 0 GCADHO CC(C)N1CCO[C@@H](CN2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)C1 ZINC000178884845 1187969257 /nfs/dbraw/zinc/96/92/57/1187969257.db2.gz GTMODCBYCGFHPB-SFTDATJTSA-N 1 3 386.540 0.954 20 0 GCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659608309 1187975954 /nfs/dbraw/zinc/97/59/54/1187975954.db2.gz MPPWWEPLDLHOBR-DLBZAZTESA-N 1 3 381.521 0.269 20 0 GCADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659632813 1187979050 /nfs/dbraw/zinc/97/90/50/1187979050.db2.gz HXRXDGKRAQUTTJ-GJZGRUSLSA-N 1 3 391.520 0.341 20 0 GCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659632812 1187979201 /nfs/dbraw/zinc/97/92/01/1187979201.db2.gz HXRXDGKRAQUTTJ-GASCZTMLSA-N 1 3 391.520 0.341 20 0 GCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659632812 1187979205 /nfs/dbraw/zinc/97/92/05/1187979205.db2.gz HXRXDGKRAQUTTJ-GASCZTMLSA-N 1 3 391.520 0.341 20 0 GCADHO C[C@]1(CNC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CCC[NH2+]C1 ZINC000659723636 1188009167 /nfs/dbraw/zinc/00/91/67/1188009167.db2.gz OQJWQVDZDFTUPF-NRFANRHFSA-N 1 3 387.528 0.916 20 0 GCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000659728488 1188011938 /nfs/dbraw/zinc/01/19/38/1188011938.db2.gz JPSKSUZJJXMSGB-MRXNPFEDSA-N 1 3 387.528 0.996 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)cc2)CC1 ZINC000415468948 1188087950 /nfs/dbraw/zinc/08/79/50/1188087950.db2.gz WJAGKXQCLRYNGY-APWZRJJASA-N 1 3 387.528 0.958 20 0 GCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)c2)CC1 ZINC000415592733 1188115224 /nfs/dbraw/zinc/11/52/24/1188115224.db2.gz CLCWXLVOYIUIPG-GOSISDBHSA-N 1 3 389.500 0.342 20 0 GCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCO1 ZINC000415597842 1188117166 /nfs/dbraw/zinc/11/71/66/1188117166.db2.gz JZQBBIZTJXJPOT-KRWDZBQOSA-N 1 3 392.525 0.403 20 0 GCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)c(C)c2)CC1 ZINC000415607905 1188122961 /nfs/dbraw/zinc/12/29/61/1188122961.db2.gz RLASHBFZXMDZTO-KRWDZBQOSA-N 1 3 389.500 0.262 20 0 GCADHO CN(C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)C1C[NH2+]C1 ZINC000415729310 1188153259 /nfs/dbraw/zinc/15/32/59/1188153259.db2.gz BPSOSXYBXMJKBM-MRXNPFEDSA-N 1 3 387.484 0.222 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415751284 1188155586 /nfs/dbraw/zinc/15/55/86/1188155586.db2.gz VXIICMCCAQBOPC-DLBZAZTESA-N 1 3 385.512 0.835 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000415747382 1188157090 /nfs/dbraw/zinc/15/70/90/1188157090.db2.gz OPOKAYKTSYGXDB-RTBURBONSA-N 1 3 399.539 0.831 20 0 GCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000472893047 1188162952 /nfs/dbraw/zinc/16/29/52/1188162952.db2.gz AXKDXALNXADZMF-GOSISDBHSA-N 1 3 381.565 0.957 20 0 GCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000472915280 1189383996 /nfs/dbraw/zinc/38/39/96/1189383996.db2.gz RKLUVWSTIMBZMB-QZTJIDSGSA-N 1 3 381.565 0.813 20 0 GCADHO O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415866720 1189388376 /nfs/dbraw/zinc/38/83/76/1189388376.db2.gz OMVLZQYPTQDEET-QGZVFWFLSA-N 1 3 392.525 0.321 20 0 GCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)c(C)c2)CC1 ZINC000415871035 1189390064 /nfs/dbraw/zinc/39/00/64/1189390064.db2.gz UQNVOOIYBSBHGW-KRWDZBQOSA-N 1 3 389.500 0.180 20 0 GCADHO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000415873917 1189391314 /nfs/dbraw/zinc/39/13/14/1189391314.db2.gz ZOQBXLSNUHOFCS-KRWDZBQOSA-N 1 3 378.473 0.450 20 0 GCADHO COCCN1CC[C@@H](NC(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000416031358 1189415801 /nfs/dbraw/zinc/41/58/01/1189415801.db2.gz SRGXASOVSHZZSJ-QGZVFWFLSA-N 1 3 391.516 0.813 20 0 GCADHO C[C@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000378313772 1189471215 /nfs/dbraw/zinc/47/12/15/1189471215.db2.gz GULIXYUHUWRJPY-QFBILLFUSA-N 1 3 396.557 0.671 20 0 GCADHO C[C@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000378313772 1189471222 /nfs/dbraw/zinc/47/12/22/1189471222.db2.gz GULIXYUHUWRJPY-QFBILLFUSA-N 1 3 396.557 0.671 20 0 GCADHO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)O1 ZINC000378437375 1189509053 /nfs/dbraw/zinc/50/90/53/1189509053.db2.gz SIIWYQQNUREZMV-ROUUACIJSA-N 1 3 395.548 0.480 20 0 GCADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000416854256 1189589169 /nfs/dbraw/zinc/58/91/69/1189589169.db2.gz UZQIKQJQBWMDHN-QZTJIDSGSA-N 1 3 375.517 0.656 20 0 GCADHO CN1CCN(CCCNC(=O)N2CCO[C@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000417015985 1189607898 /nfs/dbraw/zinc/60/78/98/1189607898.db2.gz HUFRISQLJBBFQV-MOPGFXCFSA-N 1 3 375.517 0.734 20 0 GCADHO CN1CCN(CCCNC(=O)NC[C@H]2C[NH2+]CCN2C)[C@H](c2ccccc2)C1 ZINC000417022148 1189608753 /nfs/dbraw/zinc/60/87/53/1189608753.db2.gz NXFPCMVIBZQFTN-UXHICEINSA-N 1 3 388.560 0.568 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417433019 1189663774 /nfs/dbraw/zinc/66/37/74/1189663774.db2.gz UQUYJGMBPHMPKJ-OTWHNJEPSA-N 1 3 387.528 0.984 20 0 GCADHO C[C@H](CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)CN1CCN(C)CC1 ZINC000584795453 1189667612 /nfs/dbraw/zinc/66/76/12/1189667612.db2.gz OWOKZAASYANQBJ-MOPGFXCFSA-N 1 3 395.592 0.757 20 0 GCADHO C[C@H](CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)CN1CCN(C)CC1 ZINC000584795453 1189667614 /nfs/dbraw/zinc/66/76/14/1189667614.db2.gz OWOKZAASYANQBJ-MOPGFXCFSA-N 1 3 395.592 0.757 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)CN1CCN(C)CC1 ZINC000584795455 1189668036 /nfs/dbraw/zinc/66/80/36/1189668036.db2.gz OWOKZAASYANQBJ-OALUTQOASA-N 1 3 395.592 0.757 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)CN1CCN(C)CC1 ZINC000584795455 1189668039 /nfs/dbraw/zinc/66/80/39/1189668039.db2.gz OWOKZAASYANQBJ-OALUTQOASA-N 1 3 395.592 0.757 20 0 GCADHO C[NH+](C)CCOc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000584793041 1189669430 /nfs/dbraw/zinc/66/94/30/1189669430.db2.gz GMMKLCCADFEAMQ-DOTOQJQBSA-N 1 3 375.473 0.080 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000364165363 1189687474 /nfs/dbraw/zinc/68/74/74/1189687474.db2.gz PYSKJTPJTUHALT-IAGOWNOFSA-N 1 3 381.521 0.045 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000364165363 1189687476 /nfs/dbraw/zinc/68/74/76/1189687476.db2.gz PYSKJTPJTUHALT-IAGOWNOFSA-N 1 3 381.521 0.045 20 0 GCADHO C[C@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CN1CCN(C)CC1 ZINC000417758047 1189702265 /nfs/dbraw/zinc/70/22/65/1189702265.db2.gz UOMUNHWRECFZSL-HUUCEWRRSA-N 1 3 394.486 0.005 20 0 GCADHO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000660342454 1189722604 /nfs/dbraw/zinc/72/26/04/1189722604.db2.gz BIVVHASHVTVKOF-AEFFLSMTSA-N 1 3 376.501 0.171 20 0 GCADHO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000660342454 1189722607 /nfs/dbraw/zinc/72/26/07/1189722607.db2.gz BIVVHASHVTVKOF-AEFFLSMTSA-N 1 3 376.501 0.171 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H]4NC(=O)CC[C@H]4C3)CC2)CC1 ZINC000660573184 1189907655 /nfs/dbraw/zinc/90/76/55/1189907655.db2.gz GUQMZDKMPGIJMX-MAUKXSAKSA-N 1 3 377.533 0.855 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)O[C@@H](C(=O)OC)C3)CC2)CC1 ZINC000594373914 1190038432 /nfs/dbraw/zinc/03/84/32/1190038432.db2.gz ZAXMVALYQSPKGZ-CRAIPNDOSA-N 1 3 381.517 0.972 20 0 GCADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1=O ZINC000662867282 1190063977 /nfs/dbraw/zinc/06/39/77/1190063977.db2.gz WODUUDATEPJPGH-XOKHGSTOSA-N 1 3 380.439 0.866 20 0 GCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000411016358 1193720891 /nfs/dbraw/zinc/72/08/91/1193720891.db2.gz ANUIEZGIYLYSQF-MSOLQXFVSA-N 1 3 382.549 0.887 20 0 GCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419233200 1193743065 /nfs/dbraw/zinc/74/30/65/1193743065.db2.gz VQPUBNBLERPTJN-OGWHTMIXSA-N 1 3 388.512 0.364 20 0 GCADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419233200 1193743069 /nfs/dbraw/zinc/74/30/69/1193743069.db2.gz VQPUBNBLERPTJN-OGWHTMIXSA-N 1 3 388.512 0.364 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000512813963 1193778311 /nfs/dbraw/zinc/77/83/11/1193778311.db2.gz KLJOVYUDHRWBJD-IBGZPJMESA-N 1 3 381.565 0.646 20 0 GCADHO C[NH+]1CCC(CN[C@H](Cc2ccc(F)cc2)C(N)=O)(N2CCOCC2)CC1 ZINC000419316819 1193808435 /nfs/dbraw/zinc/80/84/35/1193808435.db2.gz QYVPRJMXXJDNIK-GOSISDBHSA-N 1 3 378.492 0.608 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000419346693 1193840976 /nfs/dbraw/zinc/84/09/76/1193840976.db2.gz VSNABJNCAMBVMT-MRXNPFEDSA-N 1 3 375.517 0.246 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N(C)CCC[NH2+]C)cc2)CC1 ZINC000419345309 1193843597 /nfs/dbraw/zinc/84/35/97/1193843597.db2.gz TWIYWZUJOWBENU-UHFFFAOYSA-N 1 3 389.544 0.508 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000419349979 1193845409 /nfs/dbraw/zinc/84/54/09/1193845409.db2.gz YWJGBZZJWZHAAB-KRWDZBQOSA-N 1 3 387.528 0.248 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419360946 1193863973 /nfs/dbraw/zinc/86/39/73/1193863973.db2.gz AGAVDTOOEJHZLA-YOEHRIQHSA-N 1 3 388.512 0.431 20 0 GCADHO CO[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419372397 1193875115 /nfs/dbraw/zinc/87/51/15/1193875115.db2.gz KPHSLTFPQSAZCF-ROUUACIJSA-N 1 3 388.512 0.167 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000664174762 1193946190 /nfs/dbraw/zinc/94/61/90/1193946190.db2.gz USRFRTRIFONNGH-INIZCTEOSA-N 1 3 383.537 0.149 20 0 GCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000549937088 1193954691 /nfs/dbraw/zinc/95/46/91/1193954691.db2.gz RVGUDZUKCOBSOY-SFHVURJKSA-N 1 3 395.592 0.757 20 0 GCADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000263075931 1193961804 /nfs/dbraw/zinc/96/18/04/1193961804.db2.gz CMCVCJMJYXGMPS-IBGZPJMESA-N 1 3 394.491 0.885 20 0 GCADHO CC1CCN(CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000419401302 1194020115 /nfs/dbraw/zinc/02/01/15/1194020115.db2.gz APMUOTWBAXNLKY-ZWKOTPCHSA-N 1 3 380.533 0.579 20 0 GCADHO CC1CCN(CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000419401300 1194020141 /nfs/dbraw/zinc/02/01/41/1194020141.db2.gz APMUOTWBAXNLKY-QZTJIDSGSA-N 1 3 380.533 0.579 20 0 GCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000419420147 1194023603 /nfs/dbraw/zinc/02/36/03/1194023603.db2.gz MLFVDAQJBUTBQM-IBGZPJMESA-N 1 3 387.528 0.131 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419421003 1194024055 /nfs/dbraw/zinc/02/40/55/1194024055.db2.gz OECMRPLBQLSSEF-IBGZPJMESA-N 1 3 387.528 0.179 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419424767 1194025856 /nfs/dbraw/zinc/02/58/56/1194025856.db2.gz URIJZWRCRNDJAS-OALUTQOASA-N 1 3 387.528 0.431 20 0 GCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419425119 1194026540 /nfs/dbraw/zinc/02/65/40/1194026540.db2.gz VAUWZKIVANLEHM-KRWDZBQOSA-N 1 3 375.517 0.116 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000419414263 1194031644 /nfs/dbraw/zinc/03/16/44/1194031644.db2.gz GMFLLWFSOBUVGT-HSALFYBXSA-N 1 3 399.539 0.159 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N[C@H](C)CC[NH3+])CC2)c1 ZINC000419509621 1194048322 /nfs/dbraw/zinc/04/83/22/1194048322.db2.gz FODJZAVWRWICHU-GOSISDBHSA-N 1 3 389.544 0.867 20 0 GCADHO C[NH2+]CCNC(=O)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000419515419 1194052030 /nfs/dbraw/zinc/05/20/30/1194052030.db2.gz RHGOHUYGXAVNMF-UHFFFAOYSA-N 1 3 375.517 0.349 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N[C@H](C)C[NH3+])CC2)c1 ZINC000419518553 1194052713 /nfs/dbraw/zinc/05/27/13/1194052713.db2.gz YYCNDXGUQSYKEG-QGZVFWFLSA-N 1 3 375.517 0.477 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCSC1 ZINC000419592825 1194067447 /nfs/dbraw/zinc/06/74/47/1194067447.db2.gz XIPJOEQOTSLICE-GJYPPUQNSA-N 1 3 382.574 0.921 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419665492 1194078257 /nfs/dbraw/zinc/07/82/57/1194078257.db2.gz ORTWUAAXLHOOJX-YOEHRIQHSA-N 1 3 389.500 0.643 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000419708202 1194083574 /nfs/dbraw/zinc/08/35/74/1194083574.db2.gz GYKWOPSPSSYJEX-RHSMWYFYSA-N 1 3 376.501 0.636 20 0 GCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000419742672 1194094815 /nfs/dbraw/zinc/09/48/15/1194094815.db2.gz FARTXJSWBLDLAM-GOSISDBHSA-N 1 3 390.528 0.749 20 0 GCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000419751012 1194096802 /nfs/dbraw/zinc/09/68/02/1194096802.db2.gz TYFMTQCZCWMFIP-GOSISDBHSA-N 1 3 390.528 0.893 20 0 GCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419824206 1194110574 /nfs/dbraw/zinc/11/05/74/1194110574.db2.gz MMAXPRCTAADPCP-IRXDYDNUSA-N 1 3 381.565 0.271 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000419839820 1194118442 /nfs/dbraw/zinc/11/84/42/1194118442.db2.gz BYOOIYOZAWINIR-CALCHBBNSA-N 1 3 394.560 0.983 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000419854175 1194121643 /nfs/dbraw/zinc/12/16/43/1194121643.db2.gz BIGMBBFHHSGRFD-RKVPGOIHSA-N 1 3 380.533 0.578 20 0 GCADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419865246 1194125819 /nfs/dbraw/zinc/12/58/19/1194125819.db2.gz JQBMTSSBTKEYQF-UHFFFAOYSA-N 1 3 381.565 0.367 20 0 GCADHO C[C@H]1CN(CC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000419851742 1194129422 /nfs/dbraw/zinc/12/94/22/1194129422.db2.gz JLTWAZYJFXVECT-HOTGVXAUSA-N 1 3 380.533 0.593 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000419887866 1194133518 /nfs/dbraw/zinc/13/35/18/1194133518.db2.gz JMNVIXITNAFADL-LJQANCHMSA-N 1 3 387.528 0.131 20 0 GCADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000419905695 1194136921 /nfs/dbraw/zinc/13/69/21/1194136921.db2.gz WIFWBZLNTNTMAA-RTBURBONSA-N 1 3 388.512 0.811 20 0 GCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419950403 1194143339 /nfs/dbraw/zinc/14/33/39/1194143339.db2.gz MGSWNXZRDAAVDE-ULQDDVLXSA-N 1 3 382.549 0.696 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419960517 1194147942 /nfs/dbraw/zinc/14/79/42/1194147942.db2.gz WGAFXBDYQDYCJI-SJLPKXTDSA-N 1 3 375.517 0.866 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419995100 1194154329 /nfs/dbraw/zinc/15/43/29/1194154329.db2.gz HSAOJBCPZJIZCJ-ZHALLVOQSA-N 1 3 394.560 0.983 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420030682 1194160037 /nfs/dbraw/zinc/16/00/37/1194160037.db2.gz GRGJBNVRXVFRGP-PBHICJAKSA-N 1 3 394.491 0.945 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420030684 1194160752 /nfs/dbraw/zinc/16/07/52/1194160752.db2.gz GRGJBNVRXVFRGP-RHSMWYFYSA-N 1 3 394.491 0.945 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420030686 1194161043 /nfs/dbraw/zinc/16/10/43/1194161043.db2.gz GRGJBNVRXVFRGP-WMLDXEAASA-N 1 3 394.491 0.945 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420062790 1194165153 /nfs/dbraw/zinc/16/51/53/1194165153.db2.gz NCQTYWXXPRELLV-YOEHRIQHSA-N 1 3 394.491 0.945 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420042464 1194166866 /nfs/dbraw/zinc/16/68/66/1194166866.db2.gz QRKJGVBAFIKLRU-UKRRQHHQSA-N 1 3 382.530 0.868 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000420055152 1194170747 /nfs/dbraw/zinc/17/07/47/1194170747.db2.gz HQBKFFUILLXIRY-ZFWWWQNUSA-N 1 3 382.530 0.868 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@@H](C)O1 ZINC000420089153 1194172129 /nfs/dbraw/zinc/17/21/29/1194172129.db2.gz JFNBYRUEDHBRKS-HZPDHXFCSA-N 1 3 380.533 0.722 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000420089154 1194172226 /nfs/dbraw/zinc/17/22/26/1194172226.db2.gz JFNBYRUEDHBRKS-IYBDPMFKSA-N 1 3 380.533 0.722 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)C[C@H](C)O1 ZINC000420109877 1194181357 /nfs/dbraw/zinc/18/13/57/1194181357.db2.gz FEGAAMJMSXSXOC-VXIBKDFQSA-N 1 3 394.560 0.839 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000420133990 1194184298 /nfs/dbraw/zinc/18/42/98/1194184298.db2.gz DPILEYPXLWBUDG-CALCHBBNSA-N 1 3 392.544 0.760 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420132190 1194190103 /nfs/dbraw/zinc/19/01/03/1194190103.db2.gz AMQGSFKFTFAYPD-LJQANCHMSA-N 1 3 385.512 0.930 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)CC2)C[C@H](C)O1 ZINC000420173630 1194201263 /nfs/dbraw/zinc/20/12/63/1194201263.db2.gz VQGWWHIYKWVPTJ-SFNKJDCFSA-N 1 3 394.560 0.981 20 0 GCADHO C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420199200 1194202571 /nfs/dbraw/zinc/20/25/71/1194202571.db2.gz DNAWZFUMCNWMCX-SJORKVTESA-N 1 3 388.512 0.732 20 0 GCADHO C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420205083 1194204665 /nfs/dbraw/zinc/20/46/65/1194204665.db2.gz NHDVWRYCPGVMHF-SJLPKXTDSA-N 1 3 388.512 0.325 20 0 GCADHO CCN(CCCO)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420205762 1194204756 /nfs/dbraw/zinc/20/47/56/1194204756.db2.gz OCSBXAAGXUFMSA-UHFFFAOYSA-N 1 3 376.501 0.327 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000420205690 1194204862 /nfs/dbraw/zinc/20/48/62/1194204862.db2.gz NXOXRJADEXNUTC-KRWDZBQOSA-N 1 3 388.512 0.734 20 0 GCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420187123 1194206012 /nfs/dbraw/zinc/20/60/12/1194206012.db2.gz LTYYCIMZZKGRFW-QGZVFWFLSA-N 1 3 396.919 0.725 20 0 GCADHO CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)[NH2+][C@@H](C)c1ccccc1 ZINC000420187775 1194206773 /nfs/dbraw/zinc/20/67/73/1194206773.db2.gz BXYSYRYXAGWCJH-QXAKKESOSA-N 1 3 390.528 0.973 20 0 GCADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420192431 1194207540 /nfs/dbraw/zinc/20/75/40/1194207540.db2.gz BFCVQNXVKNMWMZ-LJQANCHMSA-N 1 3 388.512 0.462 20 0 GCADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420192431 1194207545 /nfs/dbraw/zinc/20/75/45/1194207545.db2.gz BFCVQNXVKNMWMZ-LJQANCHMSA-N 1 3 388.512 0.462 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420223062 1194210007 /nfs/dbraw/zinc/21/00/07/1194210007.db2.gz UCWHDTRHRKGQHM-MRXNPFEDSA-N 1 3 380.464 0.211 20 0 GCADHO NC1(CNC(=O)C(=O)N2CCC[C@H]2CCO)CC[NH+](Cc2ccccc2)CC1 ZINC000420210178 1194212504 /nfs/dbraw/zinc/21/25/04/1194212504.db2.gz UKKWKCCDFYCSBM-SFHVURJKSA-N 1 3 388.512 0.470 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501617840 1194214700 /nfs/dbraw/zinc/21/47/00/1194214700.db2.gz YZKTVZNOKOKJFU-QGZVFWFLSA-N 1 3 380.533 0.546 20 0 GCADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000501648651 1194219337 /nfs/dbraw/zinc/21/93/37/1194219337.db2.gz YQJGKCDMNHAXSM-IEBWSBKVSA-N 1 3 392.544 0.690 20 0 GCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652726622 1194348261 /nfs/dbraw/zinc/34/82/61/1194348261.db2.gz DWNKDLQZRNROEB-KSZLIROESA-N 1 3 382.549 0.778 20 0 GCADHO CC(C)[C@@H](C(=O)NCC1(O)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1)N(C)C ZINC000421893508 1194371040 /nfs/dbraw/zinc/37/10/40/1194371040.db2.gz UMTOISMOFRMOSF-IRXDYDNUSA-N 1 3 384.565 0.629 20 0 GCADHO CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)CC1 ZINC000422123201 1194396666 /nfs/dbraw/zinc/39/66/66/1194396666.db2.gz XPCWBQDPQMZLOP-LJQANCHMSA-N 1 3 393.576 0.558 20 0 GCADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000503183723 1194403593 /nfs/dbraw/zinc/40/35/93/1194403593.db2.gz UXVRUPNYNJJXRD-CVEARBPZSA-N 1 3 390.532 0.924 20 0 GCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000422302903 1194610078 /nfs/dbraw/zinc/61/00/78/1194610078.db2.gz HAKXPDGNXYVLHG-GOSISDBHSA-N 1 3 390.528 0.838 20 0 GCADHO [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000414698275 1194703111 /nfs/dbraw/zinc/70/31/11/1194703111.db2.gz HUYYYMINDRWUSY-LJQANCHMSA-N 1 3 382.464 0.619 20 0 GCADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC[NH2+]CC1 ZINC000422993372 1194713726 /nfs/dbraw/zinc/71/37/26/1194713726.db2.gz SPZBZSLIYLRWKR-LSDHHAIUSA-N 1 3 377.489 0.745 20 0 GCADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000422975342 1194714690 /nfs/dbraw/zinc/71/46/90/1194714690.db2.gz SOCYCDZOYQBFRP-YTQUADARSA-N 1 3 388.512 0.810 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423092964 1194726959 /nfs/dbraw/zinc/72/69/59/1194726959.db2.gz FBMUTLAHUDKNTO-INIZCTEOSA-N 1 3 380.464 0.292 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423169129 1194735076 /nfs/dbraw/zinc/73/50/76/1194735076.db2.gz VNRVRXBOAAEXFJ-SJORKVTESA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423208536 1194736392 /nfs/dbraw/zinc/73/63/92/1194736392.db2.gz YYIBUEGOJSMIFU-GOSISDBHSA-N 1 3 376.501 0.196 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423201921 1194738872 /nfs/dbraw/zinc/73/88/72/1194738872.db2.gz JPXZRQLXAODYFF-HOCLYGCPSA-N 1 3 394.466 0.923 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423206543 1194739829 /nfs/dbraw/zinc/73/98/29/1194739829.db2.gz GBRBJWXFGAHDFY-QZTJIDSGSA-N 1 3 380.533 0.546 20 0 GCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423368374 1194751535 /nfs/dbraw/zinc/75/15/35/1194751535.db2.gz NDXNLWHEIZNMKL-MRXNPFEDSA-N 1 3 393.557 0.144 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000423467326 1194758667 /nfs/dbraw/zinc/75/86/67/1194758667.db2.gz AONHGJYOMONEIN-UHFFFAOYSA-N 1 3 376.501 0.783 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000423481319 1194759297 /nfs/dbraw/zinc/75/92/97/1194759297.db2.gz QHGAOSKZZVMPLZ-NRFANRHFSA-N 1 3 388.512 0.797 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000423481323 1194759345 /nfs/dbraw/zinc/75/93/45/1194759345.db2.gz QHGAOSKZZVMPLZ-OAQYLSRUSA-N 1 3 388.512 0.797 20 0 GCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423503143 1194759865 /nfs/dbraw/zinc/75/98/65/1194759865.db2.gz MPZZXVZCBDBFCP-XYJFISCASA-N 1 3 380.533 0.545 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000423485616 1194760305 /nfs/dbraw/zinc/76/03/05/1194760305.db2.gz VJEJEYHNBPGBFR-ROUUACIJSA-N 1 3 388.512 0.653 20 0 GCADHO O=C(C(=O)N1CCCNCC1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423606954 1194772484 /nfs/dbraw/zinc/77/24/84/1194772484.db2.gz ISOHKMCQZYMYDH-FQEVSTJZSA-N 1 3 399.539 0.227 20 0 GCADHO O=C(C(=O)N1CCCNCC1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423606954 1194772485 /nfs/dbraw/zinc/77/24/85/1194772485.db2.gz ISOHKMCQZYMYDH-FQEVSTJZSA-N 1 3 399.539 0.227 20 0 GCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423595378 1194774952 /nfs/dbraw/zinc/77/49/52/1194774952.db2.gz PXBCCYUVFPUSJS-LMMKCTJWSA-N 1 3 394.560 0.935 20 0 GCADHO CCCN(C(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000423660701 1194781102 /nfs/dbraw/zinc/78/11/02/1194781102.db2.gz KSHHCWACXZDUMA-LNLFQRSKSA-N 1 3 394.560 0.935 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414768567 1194796594 /nfs/dbraw/zinc/79/65/94/1194796594.db2.gz IMRUAGQTTUICMM-KRWDZBQOSA-N 1 3 378.473 0.532 20 0 GCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000424453224 1194815231 /nfs/dbraw/zinc/81/52/31/1194815231.db2.gz JVZUKUYHKZOZCS-QGZVFWFLSA-N 1 3 389.500 0.451 20 0 GCADHO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000414864489 1194883799 /nfs/dbraw/zinc/88/37/99/1194883799.db2.gz CTMCSTAWALXHBS-QFIPXVFZSA-N 1 3 394.475 0.982 20 0 GCADHO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000414864489 1194883801 /nfs/dbraw/zinc/88/38/01/1194883801.db2.gz CTMCSTAWALXHBS-QFIPXVFZSA-N 1 3 394.475 0.982 20 0 GCADHO C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CCCNCC3)CC2)C[C@H](C)O1 ZINC000514667697 1194893026 /nfs/dbraw/zinc/89/30/26/1194893026.db2.gz NURZDLQRUNQGLZ-IRXDYDNUSA-N 1 3 380.533 0.546 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000664473473 1194896037 /nfs/dbraw/zinc/89/60/37/1194896037.db2.gz RNZSJLZSNDBGJO-IRXDYDNUSA-N 1 3 383.537 0.026 20 0 GCADHO COCCN(C)CCN1C[C@@H](NC(=O)C2C[NH+](C3CCCCC3)C2)CC1=O ZINC000425327724 1194916805 /nfs/dbraw/zinc/91/68/05/1194916805.db2.gz ZXSHEWHZLRRMOH-KRWDZBQOSA-N 1 3 380.533 0.546 20 0 GCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425398514 1194951567 /nfs/dbraw/zinc/95/15/67/1194951567.db2.gz IEOXDAULYDRMLP-RCCFBDPRSA-N 1 3 380.533 0.498 20 0 GCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000515500871 1194978604 /nfs/dbraw/zinc/97/86/04/1194978604.db2.gz QNPLRKVHCIBJEA-DOTOQJQBSA-N 1 3 391.520 0.137 20 0 GCADHO COCC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000515500440 1194978701 /nfs/dbraw/zinc/97/87/01/1194978701.db2.gz VUFNUINTTDIXQD-XLIONFOSSA-N 1 3 390.484 0.122 20 0 GCADHO COCC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000515500440 1194978702 /nfs/dbraw/zinc/97/87/02/1194978702.db2.gz VUFNUINTTDIXQD-XLIONFOSSA-N 1 3 390.484 0.122 20 0 GCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCC(=O)NC(=O)NCC(F)(F)F ZINC000436047204 1194982051 /nfs/dbraw/zinc/98/20/51/1194982051.db2.gz CLQMYEKKZYXUGD-LLVKDONJSA-N 1 3 381.399 0.084 20 0 GCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCC(=O)NC(=O)NCC(F)(F)F ZINC000436047214 1194982106 /nfs/dbraw/zinc/98/21/06/1194982106.db2.gz CLQMYEKKZYXUGD-NSHDSACASA-N 1 3 381.399 0.084 20 0 GCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000652732340 1194987540 /nfs/dbraw/zinc/98/75/40/1194987540.db2.gz JEHNWCLMHNSYNW-ZWKOTPCHSA-N 1 3 380.533 0.676 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000664576293 1195024474 /nfs/dbraw/zinc/02/44/74/1195024474.db2.gz FUXXZTKDQNKCGZ-UHFFFAOYSA-N 1 3 390.532 0.959 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000516533137 1195064300 /nfs/dbraw/zinc/06/43/00/1195064300.db2.gz UMFPHSINECMPQA-UHFFFAOYSA-N 1 3 391.516 0.208 20 0 GCADHO COC(=O)[C@@H](O)C1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000437998604 1195180769 /nfs/dbraw/zinc/18/07/69/1195180769.db2.gz JFXODAOJQOYLGR-SFHVURJKSA-N 1 3 396.532 0.501 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C[NH+]1CCCCC1 ZINC000517595974 1195194998 /nfs/dbraw/zinc/19/49/98/1195194998.db2.gz IMYUXYREHYXELH-MSOLQXFVSA-N 1 3 381.565 0.224 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)CN1CCN(C)CC1 ZINC000517595976 1195195080 /nfs/dbraw/zinc/19/50/80/1195195080.db2.gz IMYUXYREHYXELH-ROUUACIJSA-N 1 3 381.565 0.224 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506437822 1195268893 /nfs/dbraw/zinc/26/88/93/1195268893.db2.gz KEKLQZCAQYPZBM-UHFFFAOYSA-N 1 3 390.528 0.238 20 0 GCADHO C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H]1O ZINC000664750028 1195316299 /nfs/dbraw/zinc/31/62/99/1195316299.db2.gz QARJFRZQJBLMAR-QYZOEREBSA-N 1 3 376.501 0.594 20 0 GCADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000439393625 1195317251 /nfs/dbraw/zinc/31/72/51/1195317251.db2.gz GEDZRSFJVDJFPY-HNNXBMFYSA-N 1 3 389.500 0.903 20 0 GCADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000439393625 1195317254 /nfs/dbraw/zinc/31/72/54/1195317254.db2.gz GEDZRSFJVDJFPY-HNNXBMFYSA-N 1 3 389.500 0.903 20 0 GCADHO Cc1nc2ccccc2n1CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000550124799 1195443820 /nfs/dbraw/zinc/44/38/20/1195443820.db2.gz QANGCYWKFDAKQS-UHFFFAOYSA-N 1 3 388.516 0.413 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1(C)C ZINC000550267460 1195472776 /nfs/dbraw/zinc/47/27/76/1195472776.db2.gz ZVPXPFDZMSIUSG-UHFFFAOYSA-N 1 3 381.565 0.554 20 0 GCADHO C[NH+](C)CCOc1ccc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000519609632 1195532472 /nfs/dbraw/zinc/53/24/72/1195532472.db2.gz IOUXNRWEZSTRSO-FUHWJXTLSA-N 1 3 389.500 0.123 20 0 GCADHO CC(C)[C@@H](CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)N1CCN(C)CC1 ZINC000473873179 1195553527 /nfs/dbraw/zinc/55/35/27/1195553527.db2.gz FYBZIMCAFYNIBB-GOSISDBHSA-N 1 3 383.581 0.793 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000519667682 1195563251 /nfs/dbraw/zinc/56/32/51/1195563251.db2.gz POCJAKTXVAHUEK-WBVHZDCISA-N 1 3 380.533 0.733 20 0 GCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000519704563 1195564280 /nfs/dbraw/zinc/56/42/80/1195564280.db2.gz DXMRXOHGCRNAKT-SJORKVTESA-N 1 3 380.533 0.452 20 0 GCADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC000550345596 1195639234 /nfs/dbraw/zinc/63/92/34/1195639234.db2.gz GXIXHPXLSNCUAM-HNNXBMFYSA-N 1 3 389.504 0.594 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC[C@H](C(=O)N(C)C)O3)CC2)CC1 ZINC000521066740 1195959102 /nfs/dbraw/zinc/95/91/02/1195959102.db2.gz OHYMYTHTGHHJBC-RTBURBONSA-N 1 3 394.560 0.935 20 0 GCADHO Cc1ccc2c(c1)nc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n2C ZINC000521675417 1196011160 /nfs/dbraw/zinc/01/11/60/1196011160.db2.gz HFWJXNFWZNKFRH-UHFFFAOYSA-N 1 3 388.516 0.450 20 0 GCADHO CCOCCCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000469764981 1196022346 /nfs/dbraw/zinc/02/23/46/1196022346.db2.gz QRBPNUWZLHTLSW-DOTOQJQBSA-N 1 3 387.550 0.425 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN(Cc4ncc[nH]4)CC3)CC2)CC1 ZINC000522221480 1196063041 /nfs/dbraw/zinc/06/30/41/1196063041.db2.gz HKCKJIUKOCMEAS-UHFFFAOYSA-N 1 3 389.548 0.796 20 0 GCADHO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000550513267 1196070676 /nfs/dbraw/zinc/07/06/76/1196070676.db2.gz GGKDJESCXWSSNK-UHFFFAOYSA-N 1 3 395.592 0.709 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000114602562 1196106055 /nfs/dbraw/zinc/10/60/55/1196106055.db2.gz DXAIQTKEUQRDAO-LJQANCHMSA-N 1 3 381.565 0.646 20 0 GCADHO C[C@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[NH+]1CCC(C)CC1 ZINC000114592423 1196106325 /nfs/dbraw/zinc/10/63/25/1196106325.db2.gz RPAQQSPDYBLYGQ-LJQANCHMSA-N 1 3 383.581 0.796 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000281374002 1196292110 /nfs/dbraw/zinc/29/21/10/1196292110.db2.gz WVWUVRHTIVFPPO-UHFFFAOYSA-N 1 3 380.514 0.622 20 0 GCADHO COC1(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)CC[NH2+]CC1 ZINC000168401228 1196677383 /nfs/dbraw/zinc/67/73/83/1196677383.db2.gz SJRKSZNFAIEODR-UHFFFAOYSA-N 1 3 388.512 0.897 20 0 GCADHO COC(=O)c1ccc(F)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525882894 1196720790 /nfs/dbraw/zinc/72/07/90/1196720790.db2.gz XKIXGHOEPQRXFR-UHFFFAOYSA-N 1 3 382.436 0.503 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000527374235 1196784081 /nfs/dbraw/zinc/78/40/81/1196784081.db2.gz LOLIUSJODLUXLU-UHFFFAOYSA-N 1 3 398.529 0.122 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000527374244 1196784269 /nfs/dbraw/zinc/78/42/69/1196784269.db2.gz PVNAYFNMFZBDHR-UHFFFAOYSA-N 1 3 393.463 0.601 20 0 GCADHO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)CN3CCN(C)CC3)C2)CC1 ZINC000531584720 1197085586 /nfs/dbraw/zinc/08/55/86/1197085586.db2.gz GZIMEUROZXTGCL-RTBURBONSA-N 1 3 380.581 0.432 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(N(C)C)ncn1 ZINC000453711820 1197125282 /nfs/dbraw/zinc/12/52/82/1197125282.db2.gz RGVSWMNPCKUIOO-OAHLLOKOSA-N 1 3 391.520 0.356 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(N(C)C)ncn1 ZINC000453711820 1197125284 /nfs/dbraw/zinc/12/52/84/1197125284.db2.gz RGVSWMNPCKUIOO-OAHLLOKOSA-N 1 3 391.520 0.356 20 0 GCADHO C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)CN1CCN(C)CC1 ZINC000532264896 1197132376 /nfs/dbraw/zinc/13/23/76/1197132376.db2.gz FFMKCTDTZPCBEQ-NEWSRXKRSA-N 1 3 381.565 0.547 20 0 GCADHO CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN(C)CC1 ZINC000532281215 1197137863 /nfs/dbraw/zinc/13/78/63/1197137863.db2.gz ITLICIGQDIYPKD-AABGKKOBSA-N 1 3 395.592 0.935 20 0 GCADHO CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCN(C)CC1 ZINC000532281216 1197137951 /nfs/dbraw/zinc/13/79/51/1197137951.db2.gz ITLICIGQDIYPKD-HSALFYBXSA-N 1 3 395.592 0.935 20 0 GCADHO CN(C)CCCS(=O)(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000632460499 1197161978 /nfs/dbraw/zinc/16/19/78/1197161978.db2.gz ZPAAZUDZACZHKH-UHFFFAOYSA-N 1 3 396.557 0.755 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729610174 1197308336 /nfs/dbraw/zinc/30/83/36/1197308336.db2.gz DODWOKQGHXQQBE-BBWFWOEESA-N 1 3 381.521 0.092 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729610174 1197308337 /nfs/dbraw/zinc/30/83/37/1197308337.db2.gz DODWOKQGHXQQBE-BBWFWOEESA-N 1 3 381.521 0.092 20 0 GCADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc21 ZINC000897440165 1197325955 /nfs/dbraw/zinc/32/59/55/1197325955.db2.gz OANVFKWCQLXCAR-IBGZPJMESA-N 1 3 377.489 0.736 20 0 GCADHO CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000112212914 1197333677 /nfs/dbraw/zinc/33/36/77/1197333677.db2.gz VDKZETCYTNDRMZ-GOSISDBHSA-N 1 3 381.565 0.766 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCCN2CCN(C)CC2)CC1=O ZINC000112911252 1197335344 /nfs/dbraw/zinc/33/53/44/1197335344.db2.gz VVPRRYJVPAYTSO-MOPGFXCFSA-N 1 3 393.576 0.415 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCCN2CCN(C)CC2)CC1=O ZINC000112911252 1197335346 /nfs/dbraw/zinc/33/53/46/1197335346.db2.gz VVPRRYJVPAYTSO-MOPGFXCFSA-N 1 3 393.576 0.415 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCCN2CCN(C)CC2)CC1=O ZINC000112911251 1197335421 /nfs/dbraw/zinc/33/54/21/1197335421.db2.gz VVPRRYJVPAYTSO-RTBURBONSA-N 1 3 393.576 0.415 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCCN2CCN(C)CC2)CC1=O ZINC000112911251 1197335425 /nfs/dbraw/zinc/33/54/25/1197335425.db2.gz VVPRRYJVPAYTSO-RTBURBONSA-N 1 3 393.576 0.415 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)CC1 ZINC000124426627 1197352719 /nfs/dbraw/zinc/35/27/19/1197352719.db2.gz FMTGKRLNOJZVAE-HDICACEKSA-N 1 3 390.528 0.836 20 0 GCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000897474955 1197365277 /nfs/dbraw/zinc/36/52/77/1197365277.db2.gz GOHYYESZISTLFS-DNVCBOLYSA-N 1 3 391.541 0.672 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000050798589 1197381379 /nfs/dbraw/zinc/38/13/79/1197381379.db2.gz VCQDRVLOIPDJHP-HNNXBMFYSA-N 1 3 386.562 0.333 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)N3CCOCC3)CC2)CC1 ZINC000051759681 1197383575 /nfs/dbraw/zinc/38/35/75/1197383575.db2.gz RIAVNCXVDTZKQH-UHFFFAOYSA-N 1 3 381.565 0.955 20 0 GCADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000897494180 1197402381 /nfs/dbraw/zinc/40/23/81/1197402381.db2.gz NAKQAEKGYDWNFF-SFHVURJKSA-N 1 3 393.576 0.463 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])cc2)CC1 ZINC000419340142 1197417739 /nfs/dbraw/zinc/41/77/39/1197417739.db2.gz MXDUFJQHTSXRQC-UHFFFAOYSA-N 1 3 375.517 0.294 20 0 GCADHO COCCN1CC[C@H](NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000533223741 1197439343 /nfs/dbraw/zinc/43/93/43/1197439343.db2.gz MHFKCIRASWAFJO-SFHVURJKSA-N 1 3 381.565 0.907 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCCN2CCN(C)CC2)CC1=O ZINC000247113692 1197476117 /nfs/dbraw/zinc/47/61/17/1197476117.db2.gz VVPRRYJVPAYTSO-OALUTQOASA-N 1 3 393.576 0.415 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCCN2CCN(C)CC2)CC1=O ZINC000247113692 1197476121 /nfs/dbraw/zinc/47/61/21/1197476121.db2.gz VVPRRYJVPAYTSO-OALUTQOASA-N 1 3 393.576 0.415 20 0 GCADHO O=C(NC[C@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261794580 1197515403 /nfs/dbraw/zinc/51/54/03/1197515403.db2.gz IKCAJBBYOKWLCC-CVEARBPZSA-N 1 3 391.516 0.431 20 0 GCADHO C[NH2+]CCC1CCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000262012762 1197522033 /nfs/dbraw/zinc/52/20/33/1197522033.db2.gz UXIWUVDEKPSLNH-OAHLLOKOSA-N 1 3 396.557 0.703 20 0 GCADHO CCN1CCN(C(=O)CC2CC[NH+](CCC(=O)N3CCNCC3)CC2)CC1 ZINC000262171850 1197527159 /nfs/dbraw/zinc/52/71/59/1197527159.db2.gz QKZUZYJPFHTWEK-UHFFFAOYSA-N 1 3 379.549 0.075 20 0 GCADHO CN1CCC[C@@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000455656963 1197560169 /nfs/dbraw/zinc/56/01/69/1197560169.db2.gz CGZYQPFOXHABNV-HZPDHXFCSA-N 1 3 382.549 0.981 20 0 GCADHO CN1CCC[C@@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000455656963 1197560171 /nfs/dbraw/zinc/56/01/71/1197560171.db2.gz CGZYQPFOXHABNV-HZPDHXFCSA-N 1 3 382.549 0.981 20 0 GCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000672305858 1199197895 /nfs/dbraw/zinc/19/78/95/1199197895.db2.gz GVRLJHULCMYCCF-GOSISDBHSA-N 1 3 392.544 0.690 20 0 GCADHO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672308942 1199203390 /nfs/dbraw/zinc/20/33/90/1199203390.db2.gz FBOMCFFXFRBQQT-KRWDZBQOSA-N 1 3 380.533 0.546 20 0 GCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672311568 1199204914 /nfs/dbraw/zinc/20/49/14/1199204914.db2.gz JDGFXQXDHXRFQK-ROUUACIJSA-N 1 3 380.533 0.546 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465949017 1199216866 /nfs/dbraw/zinc/21/68/66/1199216866.db2.gz MMTBYZIKMJUUKH-DLBZAZTESA-N 1 3 383.537 0.326 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465949017 1199216868 /nfs/dbraw/zinc/21/68/68/1199216868.db2.gz MMTBYZIKMJUUKH-DLBZAZTESA-N 1 3 383.537 0.326 20 0 GCADHO CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1CCN(C)CC1 ZINC000465957398 1199226187 /nfs/dbraw/zinc/22/61/87/1199226187.db2.gz QBBSQWMYAHMWAB-QZTJIDSGSA-N 1 3 396.580 0.145 20 0 GCADHO CC(C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1CCN(C)CC1 ZINC000465957398 1199226192 /nfs/dbraw/zinc/22/61/92/1199226192.db2.gz QBBSQWMYAHMWAB-QZTJIDSGSA-N 1 3 396.580 0.145 20 0 GCADHO CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639892 1199295349 /nfs/dbraw/zinc/29/53/49/1199295349.db2.gz OKABFGUZOOYNJD-AEFFLSMTSA-N 1 3 379.549 0.070 20 0 GCADHO CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639892 1199295352 /nfs/dbraw/zinc/29/53/52/1199295352.db2.gz OKABFGUZOOYNJD-AEFFLSMTSA-N 1 3 379.549 0.070 20 0 GCADHO CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639893 1199296497 /nfs/dbraw/zinc/29/64/97/1199296497.db2.gz OKABFGUZOOYNJD-FUHWJXTLSA-N 1 3 379.549 0.070 20 0 GCADHO CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639893 1199296499 /nfs/dbraw/zinc/29/64/99/1199296499.db2.gz OKABFGUZOOYNJD-FUHWJXTLSA-N 1 3 379.549 0.070 20 0 GCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1C ZINC000672641857 1199302295 /nfs/dbraw/zinc/30/22/95/1199302295.db2.gz YLWKPCNGBDKDNJ-SJLPKXTDSA-N 1 3 379.549 0.070 20 0 GCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1C ZINC000672641857 1199302297 /nfs/dbraw/zinc/30/22/97/1199302297.db2.gz YLWKPCNGBDKDNJ-SJLPKXTDSA-N 1 3 379.549 0.070 20 0 GCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000672690095 1199317016 /nfs/dbraw/zinc/31/70/16/1199317016.db2.gz NIRRTICCWWMXHF-IRXDYDNUSA-N 1 3 380.533 0.594 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000673133882 1199436373 /nfs/dbraw/zinc/43/63/73/1199436373.db2.gz YETYEUHGZXCYRU-UHFFFAOYSA-N 1 3 378.492 0.925 20 0 GCADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583051 1199829489 /nfs/dbraw/zinc/82/94/89/1199829489.db2.gz MQEGIBIGIFLKJA-RCCFBDPRSA-N 1 3 378.517 0.081 20 0 GCADHO Cn1cc(N2C[C@H](C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2=O)cn1 ZINC000624938421 1199842882 /nfs/dbraw/zinc/84/28/82/1199842882.db2.gz YVXJSAOZBJAGBH-OAHLLOKOSA-N 1 3 388.516 0.448 20 0 GCADHO CN1CCN(C(=[NH2+])Nc2ncc(C(=O)N3CCC[C@@H]3C(N)=O)cc2Cl)CC1 ZINC001168735548 1199879096 /nfs/dbraw/zinc/87/90/96/1199879096.db2.gz BOASYCXIDMRSTB-CYBMUJFWSA-N 1 3 393.879 0.419 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC1 ZINC000888462241 1200239412 /nfs/dbraw/zinc/23/94/12/1200239412.db2.gz CNAJSGANIOLQLX-INIZCTEOSA-N 1 3 383.537 0.637 20 0 GCADHO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCN3CCCC3)ccc2oc1=O ZINC000172304404 1200270606 /nfs/dbraw/zinc/27/06/06/1200270606.db2.gz SQJQWMNIHOCWSU-UHFFFAOYSA-N 1 3 389.456 0.307 20 0 GCADHO CN(C)CCN(Cc1ccco1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000674872030 1200328141 /nfs/dbraw/zinc/32/81/41/1200328141.db2.gz KMFZNMADGVAWJM-INIZCTEOSA-N 1 3 379.505 0.940 20 0 GCADHO CN(C)CCN(Cc1ccco1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000674872030 1200328149 /nfs/dbraw/zinc/32/81/49/1200328149.db2.gz KMFZNMADGVAWJM-INIZCTEOSA-N 1 3 379.505 0.940 20 0 GCADHO [NH3+]CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000923485544 1201040511 /nfs/dbraw/zinc/04/05/11/1201040511.db2.gz VKJHRMIGSPNZQU-HNNXBMFYSA-N 1 3 398.504 0.329 20 0 GCADHO C[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)CN1CCN(C)CC1 ZINC000745824674 1201891388 /nfs/dbraw/zinc/89/13/88/1201891388.db2.gz KWZHNQBBKOZOAK-IEBWSBKVSA-N 1 3 381.565 0.813 20 0 GCADHO C[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)CN1CCN(C)CC1 ZINC000745824676 1201891531 /nfs/dbraw/zinc/89/15/31/1201891531.db2.gz KWZHNQBBKOZOAK-PKOBYXMFSA-N 1 3 381.565 0.813 20 0 GCADHO C[C@@H]1CN(CCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000767612681 1201979796 /nfs/dbraw/zinc/97/97/96/1201979796.db2.gz QUIPDUUIBDOUPD-VQIMIIECSA-N 1 3 380.558 0.834 20 0 GCADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[NH+]1CCC(C)CC1 ZINC000787613626 1205394870 /nfs/dbraw/zinc/39/48/70/1205394870.db2.gz AUOLLPGTNADBRJ-CEXWTWQISA-N 1 3 394.560 0.839 20 0 GCADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1nnnn1C1CC1 ZINC000790269233 1205461647 /nfs/dbraw/zinc/46/16/47/1205461647.db2.gz ZHMBUWBLOZDFAI-ZDUSSCGKSA-N 1 3 376.509 0.927 20 0 GCADHO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793707123 1205504580 /nfs/dbraw/zinc/50/45/80/1205504580.db2.gz DNIXCJPFLYDAHE-INIZCTEOSA-N 1 3 382.549 0.983 20 0 GCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000793909440 1205509260 /nfs/dbraw/zinc/50/92/60/1205509260.db2.gz GYEBFNJRECSVFJ-IKGGRYGDSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000793909440 1205509261 /nfs/dbraw/zinc/50/92/61/1205509261.db2.gz GYEBFNJRECSVFJ-IKGGRYGDSA-N 1 3 380.533 0.593 20 0 GCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)n1 ZINC001130220639 1205538165 /nfs/dbraw/zinc/53/81/65/1205538165.db2.gz HJRKSIZHZVIHLZ-CBBWQLFWSA-N 1 3 380.493 0.012 20 0 GCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)[nH]1 ZINC001130220639 1205538167 /nfs/dbraw/zinc/53/81/67/1205538167.db2.gz HJRKSIZHZVIHLZ-CBBWQLFWSA-N 1 3 380.493 0.012 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001131500196 1205613383 /nfs/dbraw/zinc/61/33/83/1205613383.db2.gz MGSMGQOZIUUXIZ-ZESCBINXSA-N 1 3 392.544 0.591 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001131500196 1205613387 /nfs/dbraw/zinc/61/33/87/1205613387.db2.gz MGSMGQOZIUUXIZ-ZESCBINXSA-N 1 3 392.544 0.591 20 0 GCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170563560 1205613456 /nfs/dbraw/zinc/61/34/56/1205613456.db2.gz MGGLHNLVAQICMS-VYDXJSESSA-N 1 3 394.516 0.976 20 0 GCADHO CCN1CC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)CC1=O ZINC001172040263 1205712557 /nfs/dbraw/zinc/71/25/57/1205712557.db2.gz NUUZXPCBXQCWRR-QGZVFWFLSA-N 1 3 379.549 0.168 20 0 GCADHO CCN1CC[C@H]([NH+]2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)CC1=O ZINC001172040251 1205712580 /nfs/dbraw/zinc/71/25/80/1205712580.db2.gz NUUZXPCBXQCWRR-KRWDZBQOSA-N 1 3 379.549 0.168 20 0 GCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173749971 1205727253 /nfs/dbraw/zinc/72/72/53/1205727253.db2.gz DJAHNQOITLWWSY-QZTJIDSGSA-N 1 3 385.516 0.981 20 0 GCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173749971 1205727254 /nfs/dbraw/zinc/72/72/54/1205727254.db2.gz DJAHNQOITLWWSY-QZTJIDSGSA-N 1 3 385.516 0.981 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cc[nH]n2)[C@@H](O)OC(C)(C)C)C1 ZINC001175762211 1205740970 /nfs/dbraw/zinc/74/09/70/1205740970.db2.gz QIMDXQZJMQBGQJ-AHMROAQXSA-N 1 3 397.520 0.248 20 0 GCADHO CC(C)[C@H](O)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001179607725 1205812431 /nfs/dbraw/zinc/81/24/31/1205812431.db2.gz XIHWPCFADAOQFK-WELJMZOKSA-N 1 3 389.537 0.299 20 0 GCADHO CCN(CC)CC(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001180387465 1205823411 /nfs/dbraw/zinc/82/34/11/1205823411.db2.gz IBABWCHEZTVYOW-KRWDZBQOSA-N 1 3 378.521 0.695 20 0 GCADHO CO[C@H](C)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001181459755 1205844285 /nfs/dbraw/zinc/84/42/85/1205844285.db2.gz HPLXJXQZIBMPKF-VNMRFUOBSA-N 1 3 375.510 0.317 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[C@H](O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001182647660 1205878446 /nfs/dbraw/zinc/87/84/46/1205878446.db2.gz FQVRDWUJJGDSCN-GAFCNROLSA-N 1 3 387.521 0.053 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[C@H](O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001182647658 1205878455 /nfs/dbraw/zinc/87/84/55/1205878455.db2.gz FQVRDWUJJGDSCN-AAQOISQYSA-N 1 3 387.521 0.053 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC(F)F)[C@H](O)OC(C)(C)C)C1 ZINC001182967290 1205884312 /nfs/dbraw/zinc/88/43/12/1205884312.db2.gz QQXSTULAENWFCT-PVIIJVKYSA-N 1 3 381.464 0.937 20 0 GCADHO c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nnc1OC1CC[NH2+]CC1 ZINC001164745809 720769131 /nfs/dbraw/zinc/76/91/31/720769131.db2.gz VWPROYGSYWMZFD-DOTOQJQBSA-N 1 3 397.483 0.739 20 0 GCADHO CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889745 721391905 /nfs/dbraw/zinc/39/19/05/721391905.db2.gz MAAUJZRDXAFCHD-NQIIRXRSSA-N 1 3 386.544 0.888 20 0 GCADHO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001164927924 721876248 /nfs/dbraw/zinc/87/62/48/721876248.db2.gz XFWFYEAZTIOTMP-MSOLQXFVSA-N 1 3 387.532 0.131 20 0 GCADHO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001164927924 721876251 /nfs/dbraw/zinc/87/62/51/721876251.db2.gz XFWFYEAZTIOTMP-MSOLQXFVSA-N 1 3 387.532 0.131 20 0 GCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082184 951730412 /nfs/dbraw/zinc/73/04/12/951730412.db2.gz VJEJXIYPEOAMRA-ZDUSSCGKSA-N 1 3 387.463 0.944 20 0 GCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082184 951730419 /nfs/dbraw/zinc/73/04/19/951730419.db2.gz VJEJXIYPEOAMRA-ZDUSSCGKSA-N 1 3 387.463 0.944 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089066 951746426 /nfs/dbraw/zinc/74/64/26/951746426.db2.gz CYGDKXSYRKDIRP-IUODEOHRSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089066 951746435 /nfs/dbraw/zinc/74/64/35/951746435.db2.gz CYGDKXSYRKDIRP-IUODEOHRSA-N 1 3 375.452 0.799 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1c(Br)cnn1C ZINC000637634512 530121050 /nfs/dbraw/zinc/12/10/50/530121050.db2.gz ORAJENBMPAVCSE-UHFFFAOYSA-N 1 3 375.315 0.817 20 0 GCADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000561256528 530275521 /nfs/dbraw/zinc/27/55/21/530275521.db2.gz DKBIZILLEVYCER-UHFFFAOYSA-N 1 3 383.290 0.427 20 0 GCADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000642909206 530265182 /nfs/dbraw/zinc/26/51/82/530265182.db2.gz IJLRJEWHTZILPH-LBPRGKRZSA-N 1 3 385.306 0.803 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000050801261 530508541 /nfs/dbraw/zinc/50/85/41/530508541.db2.gz ZLCODBRDAUPSEB-MRXNPFEDSA-N 1 3 389.587 0.582 20 0 GCADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000419868660 530963913 /nfs/dbraw/zinc/96/39/13/530963913.db2.gz IDWVTDYEPNHQAO-UHFFFAOYSA-N 1 3 385.306 0.675 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000572567390 531184818 /nfs/dbraw/zinc/18/48/18/531184818.db2.gz BHVBJOAJNPYKQI-UHFFFAOYSA-N 1 3 390.937 0.570 20 0 GCADHO C[NH+](C)CCOc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736768606 598522977 /nfs/dbraw/zinc/52/29/77/598522977.db2.gz GEKBSTPVHPGSMP-HNNXBMFYSA-N 1 3 397.487 0.835 20 0 GCADHO C[NH+](C)CCOc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736768606 598522978 /nfs/dbraw/zinc/52/29/78/598522978.db2.gz GEKBSTPVHPGSMP-HNNXBMFYSA-N 1 3 397.487 0.835 20 0 GCADHO C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736768609 598523080 /nfs/dbraw/zinc/52/30/80/598523080.db2.gz GEKBSTPVHPGSMP-OAHLLOKOSA-N 1 3 397.487 0.835 20 0 GCADHO C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736768609 598523081 /nfs/dbraw/zinc/52/30/81/598523081.db2.gz GEKBSTPVHPGSMP-OAHLLOKOSA-N 1 3 397.487 0.835 20 0 GCADHO CCOCCCN1CC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@H](C)C1 ZINC000772946625 640852708 /nfs/dbraw/zinc/85/27/08/640852708.db2.gz ODCKOAUZKHRSPA-SJORKVTESA-N 1 3 377.551 0.375 20 0 GCADHO C[NH2+]CCOCCN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000863543808 641240512 /nfs/dbraw/zinc/24/05/12/641240512.db2.gz ZHLWPXSMEXSPRZ-ZDUSSCGKSA-N 1 3 393.531 0.299 20 0 GCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)C1 ZINC000652348152 1192199102 /nfs/dbraw/zinc/19/91/02/1192199102.db2.gz WAOWEVBHKITHIQ-KSZLIROESA-N 1 3 378.517 0.286 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599229488 1192237518 /nfs/dbraw/zinc/23/75/18/1192237518.db2.gz PPAYSGSXQLAUGO-ZDUSSCGKSA-N 1 3 388.490 0.498 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cc(C(=O)OC)no1 ZINC000599229488 1192237520 /nfs/dbraw/zinc/23/75/20/1192237520.db2.gz PPAYSGSXQLAUGO-ZDUSSCGKSA-N 1 3 388.490 0.498 20 0 GCADHO CC(C)(C)n1nnc(CCN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338929 1192285416 /nfs/dbraw/zinc/28/54/16/1192285416.db2.gz WZKOLEIXQVMNLZ-OAHLLOKOSA-N 1 3 387.536 0.983 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000663445353 1192338688 /nfs/dbraw/zinc/33/86/88/1192338688.db2.gz OBFJPIZXNLCOJY-SFHVURJKSA-N 1 3 377.533 0.821 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)CC1 ZINC000050800424 1192501657 /nfs/dbraw/zinc/50/16/57/1192501657.db2.gz SPEAYZUELUMDRN-HXUWFJFHSA-N 1 3 391.516 0.382 20 0 GCADHO C[NH2+][C@H](C)CNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418783613 1192644753 /nfs/dbraw/zinc/64/47/53/1192644753.db2.gz OVTXXRJANYGTGL-QGZVFWFLSA-N 1 3 375.517 0.429 20 0 GCADHO C[C@@H]([NH2+]C1(CNC(=O)C(=O)NC[C@@H]2CNCCO2)CCCC1)c1ccccc1 ZINC000418870388 1192673720 /nfs/dbraw/zinc/67/37/20/1192673720.db2.gz UAIAEUYWWXYVIJ-AEFFLSMTSA-N 1 3 388.512 0.871 20 0 GCADHO NC1(CNC(=O)C(=O)NC[C@@H]2CCCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000418932043 1192694443 /nfs/dbraw/zinc/69/44/43/1192694443.db2.gz HKJLNNPOHLVVPE-SFHVURJKSA-N 1 3 388.512 0.781 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000418960958 1192702220 /nfs/dbraw/zinc/70/22/20/1192702220.db2.gz JJFDJIMADNZEOC-CGTJXYLNSA-N 1 3 376.501 0.588 20 0 GCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419020419 1192722093 /nfs/dbraw/zinc/72/20/93/1192722093.db2.gz FSRXAIGBVHUXRO-VYDXJSESSA-N 1 3 391.520 0.137 20 0 GCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419020419 1192722096 /nfs/dbraw/zinc/72/20/96/1192722096.db2.gz FSRXAIGBVHUXRO-VYDXJSESSA-N 1 3 391.520 0.137 20 0 GCADHO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000419104207 1192791851 /nfs/dbraw/zinc/79/18/51/1192791851.db2.gz ACHBRUVBIQCXRH-KRWDZBQOSA-N 1 3 388.516 0.050 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000419120602 1192793556 /nfs/dbraw/zinc/79/35/56/1192793556.db2.gz CNFBBDBXKIXZAM-ROUUACIJSA-N 1 3 375.517 0.191 20 0 GCADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CCN(Cc2ccccc2)CC1 ZINC000419131753 1192807276 /nfs/dbraw/zinc/80/72/76/1192807276.db2.gz DFSVMDLUFJTAPW-SFHVURJKSA-N 1 3 399.539 0.449 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)N1CCC(C)CC1 ZINC000419141094 1192813302 /nfs/dbraw/zinc/81/33/02/1192813302.db2.gz AOSPKRDWECWZJN-QRQLOZEOSA-N 1 3 394.560 0.968 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)N1CCC(C)CC1 ZINC000419141090 1192813352 /nfs/dbraw/zinc/81/33/52/1192813352.db2.gz AOSPKRDWECWZJN-NEWSRXKRSA-N 1 3 394.560 0.968 20 0 GCADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419156028 1192824637 /nfs/dbraw/zinc/82/46/37/1192824637.db2.gz BRGPQQCOOFVHKN-MOPGFXCFSA-N 1 3 390.528 0.835 20 0 GCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419168821 1192830440 /nfs/dbraw/zinc/83/04/40/1192830440.db2.gz TUOMQLXVEAAEHJ-NEWSRXKRSA-N 1 3 388.512 0.589 20 0 GCADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000419194786 1192832790 /nfs/dbraw/zinc/83/27/90/1192832790.db2.gz UEBJMAJARUQCEF-LPHOPBHVSA-N 1 3 388.512 0.782 20 0 GCADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000419194786 1192832799 /nfs/dbraw/zinc/83/27/99/1192832799.db2.gz UEBJMAJARUQCEF-LPHOPBHVSA-N 1 3 388.512 0.782 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000549823197 1192892448 /nfs/dbraw/zinc/89/24/48/1192892448.db2.gz DDIFVMZZCDKWPM-MSOLQXFVSA-N 1 3 380.533 0.687 20 0 GCADHO C[NH+](C)C1(CNC(=O)NCCCCN2CCN(CCO)CC2)CCCCC1 ZINC000512560554 1192903887 /nfs/dbraw/zinc/90/38/87/1192903887.db2.gz RLNBNXIRGKSJFD-UHFFFAOYSA-N 1 3 383.581 0.940 20 0 GCADHO CCS(=O)(=O)NCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761070 1192907183 /nfs/dbraw/zinc/90/71/83/1192907183.db2.gz ZQGHZIKGHZYBGH-UHFFFAOYSA-N 1 3 389.566 0.174 20 0 GCADHO Cc1csc([C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C2CC2)n1 ZINC000579697458 1184095015 /nfs/dbraw/zinc/09/50/15/1184095015.db2.gz UXZCYGVGTFMFLB-OAHLLOKOSA-N 1 3 381.546 0.971 20 0 GCADHO C[NH+](C)CCNC(=O)C1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000579725928 1184114878 /nfs/dbraw/zinc/11/48/78/1184114878.db2.gz SRTVJNXXJJBTFS-UHFFFAOYSA-N 1 3 379.505 0.241 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)C[C@@H](C)O1 ZINC000643543482 1184140799 /nfs/dbraw/zinc/14/07/99/1184140799.db2.gz MUOYGRWWHFDYOK-RWQQGDIJSA-N 1 3 392.544 0.402 20 0 GCADHO O=C(c1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1)N1CCNC(=O)C1 ZINC000655693951 1184780301 /nfs/dbraw/zinc/78/03/01/1184780301.db2.gz BGSPURCTTPVUKW-IBGZPJMESA-N 1 3 386.496 0.602 20 0 GCADHO CC(C)OCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001143378931 1184820280 /nfs/dbraw/zinc/82/02/80/1184820280.db2.gz HDUAHEKTQOYHKJ-OIDVLUPKSA-N 1 3 389.537 0.707 20 0 GCADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000275645178 1184854265 /nfs/dbraw/zinc/85/42/65/1184854265.db2.gz FKGRULBQDUCBIE-UHFFFAOYSA-N 1 3 399.499 0.690 20 0 GCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000579980255 1184877323 /nfs/dbraw/zinc/87/73/23/1184877323.db2.gz QQJZHQXXRXHUFQ-IAGOWNOFSA-N 1 3 395.548 0.069 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000579996608 1184895477 /nfs/dbraw/zinc/89/54/77/1184895477.db2.gz FBNFITLDXVRAOV-NEPXVJNWSA-N 1 3 394.560 0.717 20 0 GCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000556369070 1184901354 /nfs/dbraw/zinc/90/13/54/1184901354.db2.gz OYZZAIHKIYNCIR-KRWDZBQOSA-N 1 3 381.565 0.224 20 0 GCADHO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000656083321 1185020714 /nfs/dbraw/zinc/02/07/14/1185020714.db2.gz GNWRNMHBZGKHJZ-SFHVURJKSA-N 1 3 394.560 0.890 20 0 GCADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000580172932 1185105031 /nfs/dbraw/zinc/10/50/31/1185105031.db2.gz MQMONIICODGBLH-RBUKOAKNSA-N 1 3 375.517 0.480 20 0 GCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000580196339 1185114378 /nfs/dbraw/zinc/11/43/78/1185114378.db2.gz GJCQYIJWKBKPOO-JZXOWHBKSA-N 1 3 376.501 0.636 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000580245844 1185127514 /nfs/dbraw/zinc/12/75/14/1185127514.db2.gz FYCZMEDTQOTAPA-QGZVFWFLSA-N 1 3 382.549 0.794 20 0 GCADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000642786031 1185161042 /nfs/dbraw/zinc/16/10/42/1185161042.db2.gz XPZSJOGITHPOPH-RCCFBDPRSA-N 1 3 378.517 0.332 20 0 GCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCCO1 ZINC000580354455 1185196341 /nfs/dbraw/zinc/19/63/41/1185196341.db2.gz DXLKCMMDLLLCFZ-QZTJIDSGSA-N 1 3 380.533 0.690 20 0 GCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCCO1 ZINC000580354455 1185196343 /nfs/dbraw/zinc/19/63/43/1185196343.db2.gz DXLKCMMDLLLCFZ-QZTJIDSGSA-N 1 3 380.533 0.690 20 0 GCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000564825268 1185223728 /nfs/dbraw/zinc/22/37/28/1185223728.db2.gz YORWTIRDULNHNP-INIZCTEOSA-N 1 3 380.533 0.533 20 0 GCADHO Cc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(OCC[NH+](C)C)c1 ZINC000580466768 1185239752 /nfs/dbraw/zinc/23/97/52/1185239752.db2.gz MGEDRQHDZCVYFP-HUUCEWRRSA-N 1 3 375.473 0.711 20 0 GCADHO COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000580722842 1185315705 /nfs/dbraw/zinc/31/57/05/1185315705.db2.gz HMFOPKADOOWIMP-UXHICEINSA-N 1 3 384.565 0.192 20 0 GCADHO COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000580722842 1185315710 /nfs/dbraw/zinc/31/57/10/1185315710.db2.gz HMFOPKADOOWIMP-UXHICEINSA-N 1 3 384.565 0.192 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000581000821 1185469027 /nfs/dbraw/zinc/46/90/27/1185469027.db2.gz SMLVMZLFTBRYQC-FQEVSTJZSA-N 1 3 388.560 0.608 20 0 GCADHO COc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1NC(C)=O ZINC000581050406 1185479261 /nfs/dbraw/zinc/47/92/61/1185479261.db2.gz NEVAGNMXDAPOEW-UHFFFAOYSA-N 1 3 393.488 0.544 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(OC)nc1 ZINC000276028559 1185500931 /nfs/dbraw/zinc/50/09/31/1185500931.db2.gz OCDYPEAUYJLGBB-INIZCTEOSA-N 1 3 377.489 0.903 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(OC)nc1 ZINC000276028559 1185500937 /nfs/dbraw/zinc/50/09/37/1185500937.db2.gz OCDYPEAUYJLGBB-INIZCTEOSA-N 1 3 377.489 0.903 20 0 GCADHO C[NH2+]CCN(C)C(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419421371 1185505961 /nfs/dbraw/zinc/50/59/61/1185505961.db2.gz OXPJIKIXFKCJBH-SFHVURJKSA-N 1 3 375.517 0.159 20 0 GCADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000581261334 1185560836 /nfs/dbraw/zinc/56/08/36/1185560836.db2.gz KBIXXUKOBXASCT-GBESFXJTSA-N 1 3 387.528 0.893 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000581367341 1185618165 /nfs/dbraw/zinc/61/81/65/1185618165.db2.gz UUCDOVOGCOGWLC-LJQANCHMSA-N 1 3 387.528 0.309 20 0 GCADHO COc1cccc([C@H]2CNCCN2C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000891528252 1185905383 /nfs/dbraw/zinc/90/53/83/1185905383.db2.gz NVNWXRSAPLXVIY-VQIMIIECSA-N 1 3 375.517 0.987 20 0 GCADHO COc1cccc([C@@H]2CNCCN2C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000891528249 1185905780 /nfs/dbraw/zinc/90/57/80/1185905780.db2.gz NVNWXRSAPLXVIY-APWZRJJASA-N 1 3 375.517 0.987 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000130624862 1185931256 /nfs/dbraw/zinc/93/12/56/1185931256.db2.gz XGXKFNCDCDTFAQ-UHFFFAOYSA-N 1 3 386.500 0.822 20 0 GCADHO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430935639 1186058027 /nfs/dbraw/zinc/05/80/27/1186058027.db2.gz UUGABKHJTCEOQC-UONOGXRCSA-N 1 3 382.530 0.440 20 0 GCADHO CN1CCN(c2cc(CNC(=O)NCCN3CCC(O)CC3)ccn2)CC1 ZINC000891829846 1186069753 /nfs/dbraw/zinc/06/97/53/1186069753.db2.gz KOXQUZLBYKAYOO-UHFFFAOYSA-N 1 3 376.505 0.089 20 0 GCADHO Cn1cnc2c1c(=O)n(CCCN1C[C@@H](C[NH3+])[C@H](c3ccccc3)C1)c(=O)n2C ZINC000410074547 1186097772 /nfs/dbraw/zinc/09/77/72/1186097772.db2.gz LVBUHYZEGOTEEP-SJORKVTESA-N 1 3 396.495 0.498 20 0 GCADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891857425 1186099896 /nfs/dbraw/zinc/09/98/96/1186099896.db2.gz AZOGCDZMCZDVHG-VQHPVUNQSA-N 1 3 377.489 0.580 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000276840318 1186115224 /nfs/dbraw/zinc/11/52/24/1186115224.db2.gz IRNHMDLHMNNNMS-WBVHZDCISA-N 1 3 376.505 0.480 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458229858 1186219296 /nfs/dbraw/zinc/21/92/96/1186219296.db2.gz QUSLTXCIKZQWND-IRXDYDNUSA-N 1 3 383.537 0.075 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458229858 1186219305 /nfs/dbraw/zinc/21/93/05/1186219305.db2.gz QUSLTXCIKZQWND-IRXDYDNUSA-N 1 3 383.537 0.075 20 0 GCADHO O=C1CCN(CC2(C[N@@H+]3CCCCCNC(=O)CC3)COC2)CCCCCN1 ZINC000934154379 1186315404 /nfs/dbraw/zinc/31/54/04/1186315404.db2.gz BVAVFPFZIMJMTJ-UHFFFAOYSA-N 1 3 394.560 0.987 20 0 GCADHO O=C1CCN(CC2(C[N@H+]3CCCCCNC(=O)CC3)COC2)CCCCCN1 ZINC000934154379 1186315410 /nfs/dbraw/zinc/31/54/10/1186315410.db2.gz BVAVFPFZIMJMTJ-UHFFFAOYSA-N 1 3 394.560 0.987 20 0 GCADHO COCC1(CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[NH2+]CC1 ZINC000892112181 1186346853 /nfs/dbraw/zinc/34/68/53/1186346853.db2.gz ICIBWSHRHDWOQW-UHFFFAOYSA-N 1 3 395.548 0.518 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000582203708 1186463234 /nfs/dbraw/zinc/46/32/34/1186463234.db2.gz QCCZDIGNWWEFFJ-GUDVDZBRSA-N 1 3 392.544 0.567 20 0 GCADHO Cn1cc(CNCC2(O)CC[NH+](C)CC2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657371288 1186470150 /nfs/dbraw/zinc/47/01/50/1186470150.db2.gz ILHIBMZZXSYOTI-UHFFFAOYSA-N 1 3 397.479 0.763 20 0 GCADHO CN(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)Cc1ccccc1 ZINC000125159902 1186545053 /nfs/dbraw/zinc/54/50/53/1186545053.db2.gz UNAQQCTWNOZATK-GOSISDBHSA-N 1 3 386.500 0.672 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000582555204 1186565257 /nfs/dbraw/zinc/56/52/57/1186565257.db2.gz KAARTMNTCDZKGJ-INIZCTEOSA-N 1 3 380.533 0.546 20 0 GCADHO C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N1CCCC[C@@H]1C ZINC000582701993 1186616785 /nfs/dbraw/zinc/61/67/85/1186616785.db2.gz WTXWPGQABFZAHM-JKSUJKDBSA-N 1 3 390.532 1.467 20 0 GCADHO CN(C)Cc1ccc(N2CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)nc1 ZINC000563610071 1186733922 /nfs/dbraw/zinc/73/39/22/1186733922.db2.gz YOJGDTCOKNQJHH-KRWDZBQOSA-N 1 3 376.505 0.353 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccn(C)c1=O ZINC000124623158 1186799308 /nfs/dbraw/zinc/79/93/08/1186799308.db2.gz WRSLOBAYEFKYJS-HNNXBMFYSA-N 1 3 377.489 0.198 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccn(C)c1=O ZINC000124623158 1186799309 /nfs/dbraw/zinc/79/93/09/1186799309.db2.gz WRSLOBAYEFKYJS-HNNXBMFYSA-N 1 3 377.489 0.198 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)C2)CC1 ZINC000583281574 1186816510 /nfs/dbraw/zinc/81/65/10/1186816510.db2.gz OXIHOIOXZLFGCK-KRWDZBQOSA-N 1 3 379.549 0.214 20 0 GCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)CCN2C1=O ZINC000584005912 1186978963 /nfs/dbraw/zinc/97/89/63/1186978963.db2.gz OSISKPVTTLEBLE-YQQAZPJKSA-N 1 3 391.541 0.914 20 0 GCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)CCN2C1=O ZINC000584005912 1186978965 /nfs/dbraw/zinc/97/89/65/1186978965.db2.gz OSISKPVTTLEBLE-YQQAZPJKSA-N 1 3 391.541 0.914 20 0 GCADHO C[NH+](C)CCOc1cnccc1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458767590 1186982090 /nfs/dbraw/zinc/98/20/90/1186982090.db2.gz DCUGJKPTVSSOQZ-QGZVFWFLSA-N 1 3 379.505 0.668 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000584039212 1186987760 /nfs/dbraw/zinc/98/77/60/1186987760.db2.gz JSFOSSBSMZLPRQ-UHFFFAOYSA-N 1 3 382.549 0.888 20 0 GCADHO C[C@H](O)CN1CCN(c2cnc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)cn2)[C@H](C)C1 ZINC000685273058 1187008968 /nfs/dbraw/zinc/00/89/68/1187008968.db2.gz FKUHFMQIWONCJQ-BDXSIMOUSA-N 1 3 392.548 0.259 20 0 GCADHO C[C@H](O)CN1CCN(c2cnc(N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)cn2)[C@H](C)C1 ZINC000685273058 1187008971 /nfs/dbraw/zinc/00/89/71/1187008971.db2.gz FKUHFMQIWONCJQ-BDXSIMOUSA-N 1 3 392.548 0.259 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC3CC[NH2+]CC3)cc2)CC1 ZINC000584219783 1187017570 /nfs/dbraw/zinc/01/75/70/1187017570.db2.gz GKAUVBGMDMBMCK-UHFFFAOYSA-N 1 3 387.528 0.878 20 0 GCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000584277683 1187024808 /nfs/dbraw/zinc/02/48/08/1187024808.db2.gz BSIIMFFJFSSJHP-ZSYWTGECSA-N 1 3 391.560 0.166 20 0 GCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000584277683 1187024810 /nfs/dbraw/zinc/02/48/10/1187024810.db2.gz BSIIMFFJFSSJHP-ZSYWTGECSA-N 1 3 391.560 0.166 20 0 GCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000584424702 1187058043 /nfs/dbraw/zinc/05/80/43/1187058043.db2.gz OKDZOLIHSZPYRT-SFHVURJKSA-N 1 3 395.592 0.613 20 0 GCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1COc2ccccc21 ZINC000685405409 1187123456 /nfs/dbraw/zinc/12/34/56/1187123456.db2.gz WLAYCTBJZAOXDB-WBVHZDCISA-N 1 3 376.501 0.619 20 0 GCADHO CN1CCN(C)[C@@H](CNC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000431615698 1187179848 /nfs/dbraw/zinc/17/98/48/1187179848.db2.gz ACCHQIQXAPDDBB-KRWDZBQOSA-N 1 3 396.580 0.158 20 0 GCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000612484362 1187505626 /nfs/dbraw/zinc/50/56/26/1187505626.db2.gz GMGLFSYQFLZDAW-QGZVFWFLSA-N 1 3 382.549 0.528 20 0 GCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000612484362 1187505629 /nfs/dbraw/zinc/50/56/29/1187505629.db2.gz GMGLFSYQFLZDAW-QGZVFWFLSA-N 1 3 382.549 0.528 20 0 GCADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612597775 1187537483 /nfs/dbraw/zinc/53/74/83/1187537483.db2.gz NAGZHZCTBZKZHI-RYQLBKOJSA-N 1 3 378.517 0.299 20 0 GCADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612597775 1187537487 /nfs/dbraw/zinc/53/74/87/1187537487.db2.gz NAGZHZCTBZKZHI-RYQLBKOJSA-N 1 3 378.517 0.299 20 0 GCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000612600699 1187540123 /nfs/dbraw/zinc/54/01/23/1187540123.db2.gz KVKQQQNGQHHTSH-SFHVURJKSA-N 1 3 387.484 0.100 20 0 GCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000612601708 1187540245 /nfs/dbraw/zinc/54/02/45/1187540245.db2.gz SYVVAAZNKFXNCZ-ROUUACIJSA-N 1 3 378.517 0.443 20 0 GCADHO CN1CCC[C@H]1CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612876644 1187609805 /nfs/dbraw/zinc/60/98/05/1187609805.db2.gz MNEPPKKHGWZNLO-CVEARBPZSA-N 1 3 375.521 0.803 20 0 GCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000247023767 1187623278 /nfs/dbraw/zinc/62/32/78/1187623278.db2.gz QLAIGGZQIFHEGJ-ZWKOTPCHSA-N 1 3 379.549 0.912 20 0 GCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000247023767 1187623281 /nfs/dbraw/zinc/62/32/81/1187623281.db2.gz QLAIGGZQIFHEGJ-ZWKOTPCHSA-N 1 3 379.549 0.912 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4CCC[C@]4(C(N)=O)C3)CC2)CC1 ZINC000892521692 1187664130 /nfs/dbraw/zinc/66/41/30/1187664130.db2.gz BKHWFCZSDGDUPN-YWZLYKJASA-N 1 3 377.533 0.842 20 0 GCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000659112753 1187889463 /nfs/dbraw/zinc/88/94/63/1187889463.db2.gz KYJRQMSMDFVNRE-WBVHZDCISA-N 1 3 384.484 0.993 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H](C)N1C ZINC000659345063 1187945038 /nfs/dbraw/zinc/94/50/38/1187945038.db2.gz VYGBREOHLDQINJ-SOLBZPMBSA-N 1 3 379.549 0.164 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H](C)N1C ZINC000659345063 1187945040 /nfs/dbraw/zinc/94/50/40/1187945040.db2.gz VYGBREOHLDQINJ-SOLBZPMBSA-N 1 3 379.549 0.164 20 0 GCADHO CC(C)N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000659344558 1187946618 /nfs/dbraw/zinc/94/66/18/1187946618.db2.gz FWFAFCXMKGXZRN-SFHVURJKSA-N 1 3 379.549 0.166 20 0 GCADHO CC(C)N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000659344558 1187946621 /nfs/dbraw/zinc/94/66/21/1187946621.db2.gz FWFAFCXMKGXZRN-SFHVURJKSA-N 1 3 379.549 0.166 20 0 GCADHO CN(C(=O)C(=O)N1CCN(C2CCC2)CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344579 1187946766 /nfs/dbraw/zinc/94/67/66/1187946766.db2.gz GZASUASPBBGPRD-IBGZPJMESA-N 1 3 391.560 0.310 20 0 GCADHO CN(C(=O)C(=O)N1CCN(C2CCC2)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344579 1187946767 /nfs/dbraw/zinc/94/67/67/1187946767.db2.gz GZASUASPBBGPRD-IBGZPJMESA-N 1 3 391.560 0.310 20 0 GCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000659513458 1187967219 /nfs/dbraw/zinc/96/72/19/1187967219.db2.gz YDFVFQDSZZUXQU-JQHSSLGASA-N 1 3 378.517 0.251 20 0 GCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000659513458 1187967221 /nfs/dbraw/zinc/96/72/21/1187967221.db2.gz YDFVFQDSZZUXQU-JQHSSLGASA-N 1 3 378.517 0.251 20 0 GCADHO CC(C)N1CCO[C@H](CN2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)C1 ZINC000178884833 1187969483 /nfs/dbraw/zinc/96/94/83/1187969483.db2.gz GTMODCBYCGFHPB-RTWAWAEBSA-N 1 3 386.540 0.954 20 0 GCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659608311 1187976109 /nfs/dbraw/zinc/97/61/09/1187976109.db2.gz MPPWWEPLDLHOBR-IRXDYDNUSA-N 1 3 381.521 0.269 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1(C)C ZINC000659688569 1187997488 /nfs/dbraw/zinc/99/74/88/1187997488.db2.gz BIQDNVUGKWKCGY-GOSISDBHSA-N 1 3 393.576 0.367 20 0 GCADHO CN1CCN(CCCCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659699126 1188004304 /nfs/dbraw/zinc/00/43/04/1188004304.db2.gz QDBCRZLDXZVRBF-LJQANCHMSA-N 1 3 393.576 0.368 20 0 GCADHO CC[C@@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000659729933 1188015324 /nfs/dbraw/zinc/01/53/24/1188015324.db2.gz QOUQFHVIORMKBZ-MOPGFXCFSA-N 1 3 387.528 0.996 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000415390630 1188069208 /nfs/dbraw/zinc/06/92/08/1188069208.db2.gz HSNOJJOPTSMDCF-QGZVFWFLSA-N 1 3 387.528 0.878 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](C)C[NH2+]C)cc2)CC1 ZINC000415409134 1188072021 /nfs/dbraw/zinc/07/20/21/1188072021.db2.gz DFBLUXKJBSEZMI-MRXNPFEDSA-N 1 3 375.517 0.734 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(-c2cn(C)nn2)c1 ZINC000565242356 1188115983 /nfs/dbraw/zinc/11/59/83/1188115983.db2.gz DOFCEVORORESQX-UHFFFAOYSA-N 1 3 387.488 0.372 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C[C@@]1(C)C[NH3+] ZINC000415842789 1189381382 /nfs/dbraw/zinc/38/13/82/1189381382.db2.gz QTSKUBYHUFIREB-JLTOFOAXSA-N 1 3 389.500 0.936 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)CC1 ZINC000415898928 1189400536 /nfs/dbraw/zinc/40/05/36/1189400536.db2.gz UEWKALJKKAXZPS-MOPGFXCFSA-N 1 3 399.539 0.831 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2)CC1 ZINC000415898932 1189400609 /nfs/dbraw/zinc/40/06/09/1189400609.db2.gz UEWKALJKKAXZPS-OALUTQOASA-N 1 3 399.539 0.831 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415968193 1189410986 /nfs/dbraw/zinc/41/09/86/1189410986.db2.gz XMHSVWXAUDOZDP-YJBOKZPZSA-N 1 3 388.516 0.962 20 0 GCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000363806976 1189484613 /nfs/dbraw/zinc/48/46/13/1189484613.db2.gz SCDYVSCOUHITDI-SFHVURJKSA-N 1 3 393.576 0.415 20 0 GCADHO C[C@@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C(=O)NCC[NH+](C)C ZINC000582072551 1189571084 /nfs/dbraw/zinc/57/10/84/1189571084.db2.gz ZFGVOYOMBOONOH-GOSISDBHSA-N 1 3 389.544 0.771 20 0 GCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000417037019 1189611657 /nfs/dbraw/zinc/61/16/57/1189611657.db2.gz TXIBNHCBONOOHW-IBGZPJMESA-N 1 3 387.528 0.931 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417433018 1189664006 /nfs/dbraw/zinc/66/40/06/1189664006.db2.gz UQUYJGMBPHMPKJ-IPMKNSEASA-N 1 3 387.528 0.984 20 0 GCADHO C[C@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CN1CCN(C)CC1 ZINC000417758045 1189702783 /nfs/dbraw/zinc/70/27/83/1189702783.db2.gz UOMUNHWRECFZSL-CABCVRRESA-N 1 3 394.486 0.005 20 0 GCADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000662755039 1190021515 /nfs/dbraw/zinc/02/15/15/1190021515.db2.gz CIUCOVLCVYBUDW-FHWLQOOXSA-N 1 3 387.528 0.806 20 0 GCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000411016364 1193720937 /nfs/dbraw/zinc/72/09/37/1193720937.db2.gz ANUIEZGIYLYSQF-ZWKOTPCHSA-N 1 3 382.549 0.887 20 0 GCADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419223891 1193723092 /nfs/dbraw/zinc/72/30/92/1193723092.db2.gz YWMPOGOFFGMSGZ-APWZRJJASA-N 1 3 388.512 0.639 20 0 GCADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419223891 1193723096 /nfs/dbraw/zinc/72/30/96/1193723096.db2.gz YWMPOGOFFGMSGZ-APWZRJJASA-N 1 3 388.512 0.639 20 0 GCADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419233199 1193743215 /nfs/dbraw/zinc/74/32/15/1193743215.db2.gz VQPUBNBLERPTJN-NUJGCVRESA-N 1 3 388.512 0.364 20 0 GCADHO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433125958 1193761377 /nfs/dbraw/zinc/76/13/77/1193761377.db2.gz ASBGYMFOBFMLAU-GOSISDBHSA-N 1 3 388.560 0.912 20 0 GCADHO COC1CC[NH+](C(C)(C)CNC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000664032739 1193764467 /nfs/dbraw/zinc/76/44/67/1193764467.db2.gz AWUMPGQOSVRPIW-UHFFFAOYSA-N 1 3 385.553 0.537 20 0 GCADHO C[C@@H]1C[N@H+](CCCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000433324808 1193807709 /nfs/dbraw/zinc/80/77/09/1193807709.db2.gz CPRJCXMATSXKQZ-QZTJIDSGSA-N 1 3 397.564 0.729 20 0 GCADHO C[C@@H]1C[N@@H+](CCCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000433324808 1193807715 /nfs/dbraw/zinc/80/77/15/1193807715.db2.gz CPRJCXMATSXKQZ-QZTJIDSGSA-N 1 3 397.564 0.729 20 0 GCADHO C[NH+]1CCC(CN[C@@H](Cc2ccc(F)cc2)C(N)=O)(N2CCOCC2)CC1 ZINC000419316820 1193808085 /nfs/dbraw/zinc/80/80/85/1193808085.db2.gz QYVPRJMXXJDNIK-SFHVURJKSA-N 1 3 378.492 0.608 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000419332452 1193823609 /nfs/dbraw/zinc/82/36/09/1193823609.db2.gz HVNMMRBHJOQUSK-IBGZPJMESA-N 1 3 387.528 0.390 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc2)CC1 ZINC000419333115 1193826272 /nfs/dbraw/zinc/82/62/72/1193826272.db2.gz IIYXJGYWTQLADN-INIZCTEOSA-N 1 3 375.517 0.246 20 0 GCADHO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000247875384 1193826872 /nfs/dbraw/zinc/82/68/72/1193826872.db2.gz YLJIQUUHKFXQLX-NCXUSEDFSA-N 1 3 381.565 0.906 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CCC([NH3+])CC3)cc2)CC1 ZINC000419339250 1193833729 /nfs/dbraw/zinc/83/37/29/1193833729.db2.gz LUDOLZJMSHVKRA-UHFFFAOYSA-N 1 3 387.528 0.390 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000419342951 1193833844 /nfs/dbraw/zinc/83/38/44/1193833844.db2.gz QDAVYOSBAIOGMM-IBGZPJMESA-N 1 3 387.528 0.294 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000419340436 1193835878 /nfs/dbraw/zinc/83/58/78/1193835878.db2.gz NHONFTXRIOCTGW-IBGZPJMESA-N 1 3 387.528 0.261 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000419346122 1193842014 /nfs/dbraw/zinc/84/20/14/1193842014.db2.gz UYHLZOSGPWVVAS-LJQANCHMSA-N 1 3 389.544 0.540 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])cc2)CC1 ZINC000419346103 1193842036 /nfs/dbraw/zinc/84/20/36/1193842036.db2.gz UWLSFRKACUCNSX-INIZCTEOSA-N 1 3 375.517 0.151 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000419346374 1193842081 /nfs/dbraw/zinc/84/20/81/1193842081.db2.gz VEDYKMWROURQJY-UHFFFAOYSA-N 1 3 387.528 0.438 20 0 GCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)Cc2ccccc2C1 ZINC000419375076 1193878465 /nfs/dbraw/zinc/87/84/65/1193878465.db2.gz PYBCEZXOULWDQV-CEXWTWQISA-N 1 3 384.524 0.706 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000513475904 1193955477 /nfs/dbraw/zinc/95/54/77/1193955477.db2.gz LZANYBGUMRWXSC-INIZCTEOSA-N 1 3 397.564 0.092 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000664213206 1193966745 /nfs/dbraw/zinc/96/67/45/1193966745.db2.gz YXQLPBLIIBBXDZ-UHFFFAOYSA-N 1 3 389.544 0.747 20 0 GCADHO CO[C@H]1CC[C@H](NC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419399071 1194019499 /nfs/dbraw/zinc/01/94/99/1194019499.db2.gz IWAWUOJPQVAZNU-ROUUACIJSA-N 1 3 388.512 0.780 20 0 GCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000419402278 1194020002 /nfs/dbraw/zinc/02/00/02/1194020002.db2.gz CBKPLFXETVIFEK-NXHRZFHOSA-N 1 3 380.533 0.579 20 0 GCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000419402692 1194020310 /nfs/dbraw/zinc/02/03/10/1194020310.db2.gz CVXAKWVQORPALD-ZWKOTPCHSA-N 1 3 376.476 0.927 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000419418490 1194022534 /nfs/dbraw/zinc/02/25/34/1194022534.db2.gz LDYBEIAXGXKHSC-RTBURBONSA-N 1 3 387.528 0.431 20 0 GCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419421588 1194023396 /nfs/dbraw/zinc/02/33/96/1194023396.db2.gz LPQMNSGXYXHJDY-KBAYOESNSA-N 1 3 380.533 0.722 20 0 GCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419424739 1194024962 /nfs/dbraw/zinc/02/49/62/1194024962.db2.gz ULIYLQRPFATYMW-WMZOPIPTSA-N 1 3 375.517 0.335 20 0 GCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419425547 1194026574 /nfs/dbraw/zinc/02/65/74/1194026574.db2.gz VZEPGKJABWPLMG-MOPGFXCFSA-N 1 3 389.544 0.581 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000419411220 1194029873 /nfs/dbraw/zinc/02/98/73/1194029873.db2.gz BFISTCOIYCJCAP-QRVBRYPASA-N 1 3 388.512 0.904 20 0 GCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419413804 1194030405 /nfs/dbraw/zinc/03/04/05/1194030405.db2.gz FYXCRHGRXFJXEK-MJGOQNOKSA-N 1 3 389.544 0.596 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419411955 1194030503 /nfs/dbraw/zinc/03/05/03/1194030503.db2.gz CJHGETAAOQRYBA-RTBURBONSA-N 1 3 387.528 0.335 20 0 GCADHO COCC[C@@H](C)NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419444407 1194035525 /nfs/dbraw/zinc/03/55/25/1194035525.db2.gz XNRTUOMDVGYAJA-MRXNPFEDSA-N 1 3 376.501 0.637 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000419512120 1194050902 /nfs/dbraw/zinc/05/09/02/1194050902.db2.gz JOOJTXDPYOYJFO-GOSISDBHSA-N 1 3 387.528 0.573 20 0 GCADHO O=C(NCCCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419693931 1194086305 /nfs/dbraw/zinc/08/63/05/1194086305.db2.gz OMOAEPKJMBEEBF-LJQANCHMSA-N 1 3 387.528 0.179 20 0 GCADHO CN(CC[NH3+])C(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000419696417 1194086851 /nfs/dbraw/zinc/08/68/51/1194086851.db2.gz VEABCHPXRNBAQA-UHFFFAOYSA-N 1 3 375.517 0.118 20 0 GCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000419744372 1194095180 /nfs/dbraw/zinc/09/51/80/1194095180.db2.gz IJUGPMMGGFWPDL-SFHVURJKSA-N 1 3 388.512 0.599 20 0 GCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000419744370 1194095326 /nfs/dbraw/zinc/09/53/26/1194095326.db2.gz IJUGPMMGGFWPDL-GOSISDBHSA-N 1 3 388.512 0.599 20 0 GCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419824201 1194110596 /nfs/dbraw/zinc/11/05/96/1194110596.db2.gz MMAXPRCTAADPCP-DLBZAZTESA-N 1 3 381.565 0.271 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)CN1CCN(C)CC1 ZINC000419835433 1194117288 /nfs/dbraw/zinc/11/72/88/1194117288.db2.gz VCJBTEMKYIJCHG-KRWDZBQOSA-N 1 3 381.565 0.415 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000419836793 1194117636 /nfs/dbraw/zinc/11/76/36/1194117636.db2.gz CFGJWBCGEJEHQL-IBGZPJMESA-N 1 3 387.528 0.131 20 0 GCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000419839822 1194118151 /nfs/dbraw/zinc/11/81/51/1194118151.db2.gz BYOOIYOZAWINIR-IRXDYDNUSA-N 1 3 394.560 0.983 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419838541 1194118316 /nfs/dbraw/zinc/11/83/16/1194118316.db2.gz GAEUDPCQHSWGMF-JZXOWHBKSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000419854174 1194121397 /nfs/dbraw/zinc/12/13/97/1194121397.db2.gz BIGMBBFHHSGRFD-IIDMSEBBSA-N 1 3 380.533 0.578 20 0 GCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419869737 1194127476 /nfs/dbraw/zinc/12/74/76/1194127476.db2.gz JQOHXHJCEJYMKQ-QRQLOZEOSA-N 1 3 388.512 0.857 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000419915417 1194137847 /nfs/dbraw/zinc/13/78/47/1194137847.db2.gz PJDOEEQSLFQULX-MRXNPFEDSA-N 1 3 376.501 0.701 20 0 GCADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419920031 1194138728 /nfs/dbraw/zinc/13/87/28/1194138728.db2.gz FTWWTDPPKYHMHL-UHFFFAOYSA-N 1 3 386.418 0.931 20 0 GCADHO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000419908121 1194140933 /nfs/dbraw/zinc/14/09/33/1194140933.db2.gz YFESZVYUAHEDPP-MOPGFXCFSA-N 1 3 388.512 0.810 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000419949490 1194143113 /nfs/dbraw/zinc/14/31/13/1194143113.db2.gz LJKPUWXCQPIZAM-QGZVFWFLSA-N 1 3 376.501 0.844 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419938356 1194145090 /nfs/dbraw/zinc/14/50/90/1194145090.db2.gz PJMNGZLZQFDBTF-ZIFCJYIRSA-N 1 3 394.560 0.983 20 0 GCADHO N[C@@H](CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000419935794 1194145212 /nfs/dbraw/zinc/14/52/12/1194145212.db2.gz SSPNTNMACKYBIB-IBGZPJMESA-N 1 3 388.512 0.906 20 0 GCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419980593 1194151924 /nfs/dbraw/zinc/15/19/24/1194151924.db2.gz RANAVTOFHPABOK-ZWKOTPCHSA-N 1 3 375.517 0.994 20 0 GCADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)o1 ZINC000420023594 1194158333 /nfs/dbraw/zinc/15/83/33/1194158333.db2.gz AUHIKPPSAQHILP-GDBMZVCRSA-N 1 3 380.489 0.707 20 0 GCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420027706 1194159564 /nfs/dbraw/zinc/15/95/64/1194159564.db2.gz DHSITTOJVJXOMP-NVXWUHKLSA-N 1 3 398.548 0.565 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1)Cc1ccccc1 ZINC000420059973 1194164262 /nfs/dbraw/zinc/16/42/62/1194164262.db2.gz KDHNDKQKHBRYMJ-IBGZPJMESA-N 1 3 387.528 0.116 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420042465 1194166974 /nfs/dbraw/zinc/16/69/74/1194166974.db2.gz QRKJGVBAFIKLRU-ZFWWWQNUSA-N 1 3 382.530 0.868 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC3(C)CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000420093610 1194183655 /nfs/dbraw/zinc/18/36/55/1194183655.db2.gz WYXFNXUIYLTRDR-IAGOWNOFSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000420136980 1194184599 /nfs/dbraw/zinc/18/45/99/1194184599.db2.gz WPNIVUVAPNGNRA-VXNCWWDNSA-N 1 3 394.560 0.981 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)C[C@@H](C)O1 ZINC000420137177 1194184755 /nfs/dbraw/zinc/18/47/55/1194184755.db2.gz WRYUQSOAMZARQH-YWTNHNAXSA-N 1 3 394.560 0.839 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420183499 1194197564 /nfs/dbraw/zinc/19/75/64/1194197564.db2.gz GZRBGAUMTOJWGV-INIZCTEOSA-N 1 3 398.454 0.350 20 0 GCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000420184623 1194197910 /nfs/dbraw/zinc/19/79/10/1194197910.db2.gz ILIVXNNGVHXQDR-SFHVURJKSA-N 1 3 376.501 0.380 20 0 GCADHO NC1(CNC(=O)C(=O)N2CCO[C@@H](CF)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000420198350 1194202195 /nfs/dbraw/zinc/20/21/95/1194202195.db2.gz CFKAKRVUTJGQGY-KRWDZBQOSA-N 1 3 392.475 0.293 20 0 GCADHO C[C@H](O)CCN(C)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420199062 1194203131 /nfs/dbraw/zinc/20/31/31/1194203131.db2.gz DAXULURJKBYJNQ-INIZCTEOSA-N 1 3 376.501 0.325 20 0 GCADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420202349 1194203632 /nfs/dbraw/zinc/20/36/32/1194203632.db2.gz PCHJKBHZZGFVHG-SJLPKXTDSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420202349 1194203636 /nfs/dbraw/zinc/20/36/36/1194203636.db2.gz PCHJKBHZZGFVHG-SJLPKXTDSA-N 1 3 380.533 0.594 20 0 GCADHO CC[C@]1(O)CCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420202236 1194203791 /nfs/dbraw/zinc/20/37/91/1194203791.db2.gz JCNLLVFJPNMBHQ-NRFANRHFSA-N 1 3 388.512 0.470 20 0 GCADHO C[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420209591 1194211443 /nfs/dbraw/zinc/21/14/43/1194211443.db2.gz TYYRNXUXPGXIRM-AEFFLSMTSA-N 1 3 388.512 0.325 20 0 GCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420208364 1194211571 /nfs/dbraw/zinc/21/15/71/1194211571.db2.gz XYZOXVXYLQJNDA-SFHVURJKSA-N 1 3 376.501 0.114 20 0 GCADHO C[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420209594 1194211761 /nfs/dbraw/zinc/21/17/61/1194211761.db2.gz TYYRNXUXPGXIRM-FUHWJXTLSA-N 1 3 388.512 0.325 20 0 GCADHO CCOCCN(C)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420210953 1194212932 /nfs/dbraw/zinc/21/29/32/1194212932.db2.gz VDGCQSQZXSAMEK-UHFFFAOYSA-N 1 3 376.501 0.591 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000420210715 1194213063 /nfs/dbraw/zinc/21/30/63/1194213063.db2.gz SLQKXRZHFPNIBV-UKBAYJJMSA-N 1 3 394.560 0.968 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CCN1C1CC[NH+](C)CC1 ZINC000422103442 1194385680 /nfs/dbraw/zinc/38/56/80/1194385680.db2.gz GSESGRVOQJQIQU-WMZOPIPTSA-N 1 3 379.549 0.166 20 0 GCADHO COCCN1CC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000272764480 1194498441 /nfs/dbraw/zinc/49/84/41/1194498441.db2.gz LGDTYPFJOYJHBV-RTBURBONSA-N 1 3 376.501 0.773 20 0 GCADHO COCCN1CC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000272764480 1194498442 /nfs/dbraw/zinc/49/84/42/1194498442.db2.gz LGDTYPFJOYJHBV-RTBURBONSA-N 1 3 376.501 0.773 20 0 GCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)C2)C1 ZINC000652729142 1194536487 /nfs/dbraw/zinc/53/64/87/1194536487.db2.gz UBYXDWFKSVHTQR-MANSERQUSA-N 1 3 392.544 0.818 20 0 GCADHO C[C@@H](CN1CCOCC1)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000273149979 1194543196 /nfs/dbraw/zinc/54/31/96/1194543196.db2.gz YRQAOYWRWRJVGI-SFHVURJKSA-N 1 3 375.517 0.678 20 0 GCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000422396578 1194635937 /nfs/dbraw/zinc/63/59/37/1194635937.db2.gz LGFSJQUGJAQFIM-KRWDZBQOSA-N 1 3 391.516 0.579 20 0 GCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423066949 1194724028 /nfs/dbraw/zinc/72/40/28/1194724028.db2.gz YGRMBKWWQCKOLO-ROUUACIJSA-N 1 3 382.549 0.778 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423208375 1194736402 /nfs/dbraw/zinc/73/64/02/1194736402.db2.gz HTVJLJOZWFZMPC-ROUUACIJSA-N 1 3 394.560 0.792 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423205825 1194736480 /nfs/dbraw/zinc/73/64/80/1194736480.db2.gz PRSJXMXVUHEJRD-GOEBONIOSA-N 1 3 394.466 0.923 20 0 GCADHO C[C@H]1CN(CC2CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC2)C[C@H](C)O1 ZINC000423200100 1194738843 /nfs/dbraw/zinc/73/88/43/1194738843.db2.gz DDYRDCDLUOCVAX-HOTGVXAUSA-N 1 3 382.549 0.778 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC2)C[C@H](C)O1 ZINC000423200102 1194739034 /nfs/dbraw/zinc/73/90/34/1194739034.db2.gz DDYRDCDLUOCVAX-IYBDPMFKSA-N 1 3 382.549 0.778 20 0 GCADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000423202749 1194739188 /nfs/dbraw/zinc/73/91/88/1194739188.db2.gz LEMBAGSHBJVZDI-IRXDYDNUSA-N 1 3 394.560 0.792 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423205395 1194739430 /nfs/dbraw/zinc/73/94/30/1194739430.db2.gz POPFKOGFERCUSI-HZPDHXFCSA-N 1 3 394.466 0.923 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423221279 1194741082 /nfs/dbraw/zinc/74/10/82/1194741082.db2.gz ZQFSKZYXIHBRMB-CEXWTWQISA-N 1 3 388.512 0.509 20 0 GCADHO O=C(C(=O)N1CCCN(CCCc2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423229679 1194742064 /nfs/dbraw/zinc/74/20/64/1194742064.db2.gz HQCLJZNTLMPUCP-BGYRXZFFSA-N 1 3 384.524 0.831 20 0 GCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000423258862 1194744412 /nfs/dbraw/zinc/74/44/12/1194744412.db2.gz MVVNCPOPHDHIIF-GOSISDBHSA-N 1 3 376.501 0.461 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000423271117 1194745385 /nfs/dbraw/zinc/74/53/85/1194745385.db2.gz XGLLPBPZQYRWQZ-IBGZPJMESA-N 1 3 387.528 0.212 20 0 GCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423505657 1194760127 /nfs/dbraw/zinc/76/01/27/1194760127.db2.gz OQMCCCMQTCLYRD-ZIFCJYIRSA-N 1 3 394.560 0.792 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000423484067 1194760283 /nfs/dbraw/zinc/76/02/83/1194760283.db2.gz TTYLJYREPYIOCH-MJGOQNOKSA-N 1 3 388.512 0.796 20 0 GCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423509535 1194760312 /nfs/dbraw/zinc/76/03/12/1194760312.db2.gz RNPYJXAASDOZND-CALCHBBNSA-N 1 3 382.549 0.792 20 0 GCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423509538 1194760326 /nfs/dbraw/zinc/76/03/26/1194760326.db2.gz RNPYJXAASDOZND-IAGOWNOFSA-N 1 3 382.549 0.792 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000423486789 1194760475 /nfs/dbraw/zinc/76/04/75/1194760475.db2.gz WOTVLCYTAMBNSI-GOSISDBHSA-N 1 3 392.500 0.162 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423494214 1194761000 /nfs/dbraw/zinc/76/10/00/1194761000.db2.gz ACEVVCKISUUGHN-LLGFUMIMSA-N 1 3 394.560 0.922 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414768578 1194797000 /nfs/dbraw/zinc/79/70/00/1194797000.db2.gz IMRUAGQTTUICMM-QGZVFWFLSA-N 1 3 378.473 0.532 20 0 GCADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000424339067 1194809123 /nfs/dbraw/zinc/80/91/23/1194809123.db2.gz VMPRPEPEKOZZRZ-IAGOWNOFSA-N 1 3 398.504 0.518 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414803173 1194826667 /nfs/dbraw/zinc/82/66/67/1194826667.db2.gz LULVYCCFGYDTEZ-UHFFFAOYSA-N 1 3 399.495 0.037 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000664475361 1194895610 /nfs/dbraw/zinc/89/56/10/1194895610.db2.gz PSBFUXJWZRRHLJ-ROUUACIJSA-N 1 3 397.564 0.416 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000664475358 1194895823 /nfs/dbraw/zinc/89/58/23/1194895823.db2.gz PSBFUXJWZRRHLJ-MSOLQXFVSA-N 1 3 397.564 0.416 20 0 GCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000514886524 1194925340 /nfs/dbraw/zinc/92/53/40/1194925340.db2.gz DRNJGTDGXNMSLG-FPAYPSAMSA-N 1 3 391.560 0.070 20 0 GCADHO CCNC(=O)COc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000435386916 1194926569 /nfs/dbraw/zinc/92/65/69/1194926569.db2.gz WEUJOEFNJZSISB-INIZCTEOSA-N 1 3 392.500 0.497 20 0 GCADHO C[NH+](C)CCCOc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000515073865 1194945724 /nfs/dbraw/zinc/94/57/24/1194945724.db2.gz LPPQSZYMXSYWLV-WMZOPIPTSA-N 1 3 389.500 0.471 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000425403493 1194955169 /nfs/dbraw/zinc/95/51/69/1194955169.db2.gz ONYKZGJTQDZTCT-CADBVGFASA-N 1 3 391.560 0.023 20 0 GCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCC(=O)NC(=O)NCc1ccccc1 ZINC000436066620 1194983763 /nfs/dbraw/zinc/98/37/63/1194983763.db2.gz ZMJITXTXNFNTOC-KRWDZBQOSA-N 1 3 389.500 0.722 20 0 GCADHO O=C(C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000516964881 1195120158 /nfs/dbraw/zinc/12/01/58/1195120158.db2.gz BASNCXOWYGINFW-JQVVWYNYSA-N 1 3 382.508 0.931 20 0 GCADHO CC1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000517198475 1195150601 /nfs/dbraw/zinc/15/06/01/1195150601.db2.gz FCTYYBQADXSSLT-QZTJIDSGSA-N 1 3 380.533 0.329 20 0 GCADHO COC(=O)[C@H](O)C1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000437998603 1195180820 /nfs/dbraw/zinc/18/08/20/1195180820.db2.gz JFXODAOJQOYLGR-GOSISDBHSA-N 1 3 396.532 0.501 20 0 GCADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000426162970 1195252664 /nfs/dbraw/zinc/25/26/64/1195252664.db2.gz UMFKWWWIUMXEJV-GOSISDBHSA-N 1 3 381.565 0.273 20 0 GCADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000414975455 1195277692 /nfs/dbraw/zinc/27/76/92/1195277692.db2.gz LRCLHQMGKPLTNT-YOEHRIQHSA-N 1 3 387.484 0.410 20 0 GCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCCN1CCN(CCO)CC1 ZINC000439287746 1195304511 /nfs/dbraw/zinc/30/45/11/1195304511.db2.gz XKZBYPXDQITTEP-MOPGFXCFSA-N 1 3 381.565 0.645 20 0 GCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCCN1CCN(CCO)CC1 ZINC000439287746 1195304514 /nfs/dbraw/zinc/30/45/14/1195304514.db2.gz XKZBYPXDQITTEP-MOPGFXCFSA-N 1 3 381.565 0.645 20 0 GCADHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000439393626 1195317376 /nfs/dbraw/zinc/31/73/76/1195317376.db2.gz GEDZRSFJVDJFPY-OAHLLOKOSA-N 1 3 389.500 0.903 20 0 GCADHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000439393626 1195317380 /nfs/dbraw/zinc/31/73/80/1195317380.db2.gz GEDZRSFJVDJFPY-OAHLLOKOSA-N 1 3 389.500 0.903 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000518802356 1195335742 /nfs/dbraw/zinc/33/57/42/1195335742.db2.gz ALDBCYNZBUZALL-PKOBYXMFSA-N 1 3 391.560 0.214 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000518802356 1195335743 /nfs/dbraw/zinc/33/57/43/1195335743.db2.gz ALDBCYNZBUZALL-PKOBYXMFSA-N 1 3 391.560 0.214 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000506640899 1195339092 /nfs/dbraw/zinc/33/90/92/1195339092.db2.gz CEYFXFXFKNMTTP-INIZCTEOSA-N 1 3 383.537 0.339 20 0 GCADHO COc1cccc([C@H](CNC(=O)C(=O)N2CCN(C)CC[C@H]2C)N(C)C)c1 ZINC000550029561 1195408500 /nfs/dbraw/zinc/40/85/00/1195408500.db2.gz RFWMZZRDYVQELJ-QAPCUYQASA-N 1 3 376.501 0.967 20 0 GCADHO COc1cccc([C@H](CNC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)N(C)C)c1 ZINC000550029561 1195408501 /nfs/dbraw/zinc/40/85/01/1195408501.db2.gz RFWMZZRDYVQELJ-QAPCUYQASA-N 1 3 376.501 0.967 20 0 GCADHO COc1cccc([C@H](CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)N(C)C)c1 ZINC000550029561 1195408505 /nfs/dbraw/zinc/40/85/05/1195408505.db2.gz RFWMZZRDYVQELJ-QAPCUYQASA-N 1 3 376.501 0.967 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550115095 1195440780 /nfs/dbraw/zinc/44/07/80/1195440780.db2.gz KILRLFJFUJIWOW-IBGZPJMESA-N 1 3 390.528 0.934 20 0 GCADHO C[C@@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000550137523 1195446942 /nfs/dbraw/zinc/44/69/42/1195446942.db2.gz FEIYDEFQLZDQHS-AEFFLSMTSA-N 1 3 380.533 0.737 20 0 GCADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](O)CN3CCOCC3)cc2)CC1 ZINC000520218942 1195607508 /nfs/dbraw/zinc/60/75/08/1195607508.db2.gz JEHCFNDBJMJSBU-NRFANRHFSA-N 1 3 376.545 0.607 20 0 GCADHO CN(C)C(=O)CN1CCC(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC1 ZINC000473924569 1195640245 /nfs/dbraw/zinc/64/02/45/1195640245.db2.gz PFERSLORTJWFSW-UHFFFAOYSA-N 1 3 396.580 0.254 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)N1CCN(C)CC1 ZINC000550382366 1195650745 /nfs/dbraw/zinc/65/07/45/1195650745.db2.gz SGMUIWRVAXHCLD-ROUUACIJSA-N 1 3 381.565 0.365 20 0 GCADHO CNS(=O)(=O)c1cccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050803026 1195692369 /nfs/dbraw/zinc/69/23/69/1195692369.db2.gz CNAMKCJFCXUBJV-UHFFFAOYSA-N 1 3 394.541 0.883 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000520771815 1195852643 /nfs/dbraw/zinc/85/26/43/1195852643.db2.gz BSONHHSLKYSYML-RTBURBONSA-N 1 3 385.512 0.821 20 0 GCADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000441970569 1195937181 /nfs/dbraw/zinc/93/71/81/1195937181.db2.gz ARUMSZQZSVKVJN-INIZCTEOSA-N 1 3 389.500 0.390 20 0 GCADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000441970569 1195937185 /nfs/dbraw/zinc/93/71/85/1195937185.db2.gz ARUMSZQZSVKVJN-INIZCTEOSA-N 1 3 389.500 0.390 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442669589 1195998734 /nfs/dbraw/zinc/99/87/34/1195998734.db2.gz HHUZJACEIAJKCA-UHFFFAOYSA-N 1 3 396.580 0.208 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442669589 1195998735 /nfs/dbraw/zinc/99/87/35/1195998735.db2.gz HHUZJACEIAJKCA-UHFFFAOYSA-N 1 3 396.580 0.208 20 0 GCADHO CC[N@H+](CC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1)C1CC1 ZINC000442832961 1196007270 /nfs/dbraw/zinc/00/72/70/1196007270.db2.gz GQOSWYHKRFGGOP-UHFFFAOYSA-N 1 3 379.549 0.168 20 0 GCADHO CC[N@@H+](CC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1)C1CC1 ZINC000442832961 1196007274 /nfs/dbraw/zinc/00/72/74/1196007274.db2.gz GQOSWYHKRFGGOP-UHFFFAOYSA-N 1 3 379.549 0.168 20 0 GCADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000522014940 1196034397 /nfs/dbraw/zinc/03/43/97/1196034397.db2.gz RSPHNEXLOGGOED-BVBHFADKSA-N 1 3 385.512 0.850 20 0 GCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000522014940 1196034400 /nfs/dbraw/zinc/03/44/00/1196034400.db2.gz RSPHNEXLOGGOED-BVBHFADKSA-N 1 3 385.512 0.850 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1(C)C ZINC000281762266 1196329489 /nfs/dbraw/zinc/32/94/89/1196329489.db2.gz ASOLTTYVNGAPQW-UHFFFAOYSA-N 1 3 389.544 0.871 20 0 GCADHO CCO[C@H]1C[C@](N)(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000444272350 1196369945 /nfs/dbraw/zinc/36/99/45/1196369945.db2.gz VXHOMAUTMGYCJJ-KSSFIOAISA-N 1 3 380.493 0.032 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000525882396 1196720742 /nfs/dbraw/zinc/72/07/42/1196720742.db2.gz CARNZERPUAWJAO-UHFFFAOYSA-N 1 3 387.488 0.217 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000525882757 1196720872 /nfs/dbraw/zinc/72/08/72/1196720872.db2.gz MFPQDYSXZBCUQU-UHFFFAOYSA-N 1 3 389.500 0.469 20 0 GCADHO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000447436102 1196722643 /nfs/dbraw/zinc/72/26/43/1196722643.db2.gz UDNNFAJKDGQXSK-HZPDHXFCSA-N 1 3 393.557 0.800 20 0 GCADHO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000526132133 1196744134 /nfs/dbraw/zinc/74/41/34/1196744134.db2.gz CNGWPBUEKSVGCT-UHFFFAOYSA-N 1 3 398.529 0.371 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000527124363 1196767341 /nfs/dbraw/zinc/76/73/41/1196767341.db2.gz RTNAMERXFKPYIK-UHFFFAOYSA-N 1 3 383.880 0.329 20 0 GCADHO C[C@@H]1CN(c2cc(N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)ncn2)C[C@H](C)N1CCO ZINC000450786536 1196954163 /nfs/dbraw/zinc/95/41/63/1196954163.db2.gz AGZNVEDXFRPONO-USTZCAOPSA-N 1 3 392.548 0.259 20 0 GCADHO C[C@@H]1CN(c2cc(N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)ncn2)C[C@H](C)N1CCO ZINC000450786536 1196954165 /nfs/dbraw/zinc/95/41/65/1196954165.db2.gz AGZNVEDXFRPONO-USTZCAOPSA-N 1 3 392.548 0.259 20 0 GCADHO c1nc(NCCN2C[C@H]3CC[C@@H](C2)O3)cc(NCCN2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000450796123 1196954522 /nfs/dbraw/zinc/95/45/22/1196954522.db2.gz VGCIWAAJBATIRB-USTZCAOPSA-N 1 3 388.516 1.027 20 0 GCADHO c1nc(NCCN2C[C@H]3CC[C@@H](C2)O3)cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000450796123 1196954524 /nfs/dbraw/zinc/95/45/24/1196954524.db2.gz VGCIWAAJBATIRB-USTZCAOPSA-N 1 3 388.516 1.027 20 0 GCADHO c1nc(NCCN2C[C@H]3CC[C@@H](C2)O3)cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000450796123 1196954527 /nfs/dbraw/zinc/95/45/27/1196954527.db2.gz VGCIWAAJBATIRB-USTZCAOPSA-N 1 3 388.516 1.027 20 0 GCADHO CN1CCN(CCCCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000531759066 1197095129 /nfs/dbraw/zinc/09/51/29/1197095129.db2.gz DWVWILKWQNLGAM-RTBURBONSA-N 1 3 381.565 0.691 20 0 GCADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)cc1 ZINC000453804523 1197138617 /nfs/dbraw/zinc/13/86/17/1197138617.db2.gz HZMQGTDLMGLCGR-SFHVURJKSA-N 1 3 376.501 0.692 20 0 GCADHO CN1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(NC(=O)CC[NH+](C)C)cc3)C[C@H]21 ZINC000453917368 1197157848 /nfs/dbraw/zinc/15/78/48/1197157848.db2.gz MNTUHBNNNDJIMQ-WMLDXEAASA-N 1 3 387.484 0.678 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000177971519 1197192934 /nfs/dbraw/zinc/19/29/34/1197192934.db2.gz QCTGLPRBSIAKPJ-SFHVURJKSA-N 1 3 377.533 0.809 20 0 GCADHO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@@H](C)C1 ZINC000192826033 1197248701 /nfs/dbraw/zinc/24/87/01/1197248701.db2.gz CGVLVDILXDMDGF-RBUKOAKNSA-N 1 3 396.576 0.525 20 0 GCADHO C[C@@H](O)C[N@H+]1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@@H](C)C1 ZINC000192826033 1197248704 /nfs/dbraw/zinc/24/87/04/1197248704.db2.gz CGVLVDILXDMDGF-RBUKOAKNSA-N 1 3 396.576 0.525 20 0 GCADHO CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000102812045 1197254678 /nfs/dbraw/zinc/25/46/78/1197254678.db2.gz DIOZOAHSQHHAIG-QGZVFWFLSA-N 1 3 389.544 0.871 20 0 GCADHO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000332969889 1197348354 /nfs/dbraw/zinc/34/83/54/1197348354.db2.gz LHYDNIBUAMVZFB-DLBZAZTESA-N 1 3 381.521 0.045 20 0 GCADHO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000332969889 1197348355 /nfs/dbraw/zinc/34/83/55/1197348355.db2.gz LHYDNIBUAMVZFB-DLBZAZTESA-N 1 3 381.521 0.045 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CCN1c1cc[nH+]cc1 ZINC000897474835 1197365312 /nfs/dbraw/zinc/36/53/12/1197365312.db2.gz CMJVLLCOWAUFEM-HNAYVOBHSA-N 1 3 391.541 0.672 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CSc3nnnn3C3CC3)CC2)CC1 ZINC000050799238 1197380948 /nfs/dbraw/zinc/38/09/48/1197380948.db2.gz IQTXBVWKQVGADG-UHFFFAOYSA-N 1 3 379.534 0.775 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CNC(=O)COc3ccccc3)CC2)CC1 ZINC000051464003 1197382784 /nfs/dbraw/zinc/38/27/84/1197382784.db2.gz NZJCESHGDIEFDI-UHFFFAOYSA-N 1 3 388.512 0.856 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCNC(=O)c3ccco3)CC2)CC1 ZINC000051758919 1197383733 /nfs/dbraw/zinc/38/37/33/1197383733.db2.gz BEXSJDOHYWMXPV-UHFFFAOYSA-N 1 3 377.489 0.867 20 0 GCADHO C[C@H](CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1)CN1CCN(C)CC1 ZINC000897493900 1197402480 /nfs/dbraw/zinc/40/24/80/1197402480.db2.gz ILWANQNIEILGSL-LJQANCHMSA-N 1 3 395.592 0.711 20 0 GCADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000897494179 1197402619 /nfs/dbraw/zinc/40/26/19/1197402619.db2.gz NAKQAEKGYDWNFF-GOSISDBHSA-N 1 3 393.576 0.463 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419347128 1197417767 /nfs/dbraw/zinc/41/77/67/1197417767.db2.gz WICAMVQUBWGDTG-LJQANCHMSA-N 1 3 387.528 0.309 20 0 GCADHO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)CC1 ZINC000532918859 1197421799 /nfs/dbraw/zinc/42/17/99/1197421799.db2.gz IFZIRZCIMZTOOB-SFHVURJKSA-N 1 3 393.576 0.414 20 0 GCADHO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000520796646 1197449098 /nfs/dbraw/zinc/44/90/98/1197449098.db2.gz XEHVSYUJOXEUKZ-LWYYNNOASA-N 1 3 382.508 0.787 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1=O ZINC000246415796 1197469539 /nfs/dbraw/zinc/46/95/39/1197469539.db2.gz LOBWZXRCBBPEDI-GBESFXJTSA-N 1 3 393.576 0.319 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1=O ZINC000246415796 1197469541 /nfs/dbraw/zinc/46/95/41/1197469541.db2.gz LOBWZXRCBBPEDI-GBESFXJTSA-N 1 3 393.576 0.319 20 0 GCADHO CCNC(=O)COc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000262129410 1197526048 /nfs/dbraw/zinc/52/60/48/1197526048.db2.gz NQSDAWIERYNUJR-KRWDZBQOSA-N 1 3 376.501 0.690 20 0 GCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)CCO1 ZINC000643487630 1197532998 /nfs/dbraw/zinc/53/29/98/1197532998.db2.gz UZAZXEHKBAMHHG-WMLDXEAASA-N 1 3 380.464 0.291 20 0 GCADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672007884 1198999242 /nfs/dbraw/zinc/99/92/42/1198999242.db2.gz FUVABHOKYJXJOP-OAHLLOKOSA-N 1 3 389.500 0.585 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013525 1199005265 /nfs/dbraw/zinc/00/52/65/1199005265.db2.gz FETASLUNYQKHKS-HNNXBMFYSA-N 1 3 382.549 0.839 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000465852693 1199087922 /nfs/dbraw/zinc/08/79/22/1199087922.db2.gz XICHUZFVTXIJJK-MSOLQXFVSA-N 1 3 397.564 0.681 20 0 GCADHO C[C@@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)CN1CCN(C)CC1 ZINC000465866158 1199141841 /nfs/dbraw/zinc/14/18/41/1199141841.db2.gz JJVDIFZGDAEQDA-KRWDZBQOSA-N 1 3 396.580 0.112 20 0 GCADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000672305718 1199197987 /nfs/dbraw/zinc/19/79/87/1199197987.db2.gz APXLLSMANHWFOS-OTWHNJEPSA-N 1 3 392.544 0.471 20 0 GCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000672305719 1199198456 /nfs/dbraw/zinc/19/84/56/1199198456.db2.gz APXLLSMANHWFOS-QRVBRYPASA-N 1 3 392.544 0.471 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000672442735 1199234857 /nfs/dbraw/zinc/23/48/57/1199234857.db2.gz LJVWSMSLDOLBPJ-INIZCTEOSA-N 1 3 382.549 0.981 20 0 GCADHO Cc1nccn1CCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672641112 1199298539 /nfs/dbraw/zinc/29/85/39/1199298539.db2.gz NFAZVRVHSABKJJ-KRWDZBQOSA-N 1 3 390.532 0.373 20 0 GCADHO Cc1nccn1CCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672641112 1199298543 /nfs/dbraw/zinc/29/85/43/1199298543.db2.gz NFAZVRVHSABKJJ-KRWDZBQOSA-N 1 3 390.532 0.373 20 0 GCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000672690094 1199316708 /nfs/dbraw/zinc/31/67/08/1199316708.db2.gz NIRRTICCWWMXHF-IAGOWNOFSA-N 1 3 380.533 0.594 20 0 GCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000672693403 1199317468 /nfs/dbraw/zinc/31/74/68/1199317468.db2.gz VYMXQSZBZNFULY-NEWSRXKRSA-N 1 3 394.560 0.861 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000265830303 1199537650 /nfs/dbraw/zinc/53/76/50/1199537650.db2.gz RWNPDSIAHHAPLV-UHFFFAOYSA-N 1 3 394.516 0.911 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446303 1199659600 /nfs/dbraw/zinc/65/96/00/1199659600.db2.gz VGEPWBRCMKARBG-IAGOWNOFSA-N 1 3 382.549 0.792 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446303 1199659603 /nfs/dbraw/zinc/65/96/03/1199659603.db2.gz VGEPWBRCMKARBG-IAGOWNOFSA-N 1 3 382.549 0.792 20 0 GCADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(N3CCN(C)CC3)nc1)C2 ZINC000922390019 1199771822 /nfs/dbraw/zinc/77/18/22/1199771822.db2.gz ZIZGMDAATYYIMA-BNDYYXHWSA-N 1 3 388.560 0.798 20 0 GCADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(N3CCN(C)CC3)nc1)C2 ZINC000922390019 1199771827 /nfs/dbraw/zinc/77/18/27/1199771827.db2.gz ZIZGMDAATYYIMA-BNDYYXHWSA-N 1 3 388.560 0.798 20 0 GCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583049 1199829678 /nfs/dbraw/zinc/82/96/78/1199829678.db2.gz MQEGIBIGIFLKJA-KURKYZTESA-N 1 3 378.517 0.081 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC[C@H](C)[NH2+]C)cc2)CC1 ZINC001118016362 1200432372 /nfs/dbraw/zinc/43/23/72/1200432372.db2.gz DIUNCTCAMYHYQV-INIZCTEOSA-N 1 3 375.517 0.877 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000675817655 1200462041 /nfs/dbraw/zinc/46/20/41/1200462041.db2.gz WLDBXGYPDBVENI-MSOLQXFVSA-N 1 3 390.594 0.290 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000675817655 1200462044 /nfs/dbraw/zinc/46/20/44/1200462044.db2.gz WLDBXGYPDBVENI-MSOLQXFVSA-N 1 3 390.594 0.290 20 0 GCADHO C[NH+](C)CCOc1ccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000676417947 1200557625 /nfs/dbraw/zinc/55/76/25/1200557625.db2.gz KCYPWMYVPQQQAT-IBGZPJMESA-N 1 3 390.528 0.650 20 0 GCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373338553 1200654528 /nfs/dbraw/zinc/65/45/28/1200654528.db2.gz SVUAVBQUIJOZOA-OAHLLOKOSA-N 1 3 376.505 1.079 20 0 GCADHO NCC(C[NH3+])NCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000923350987 1200962165 /nfs/dbraw/zinc/96/21/65/1200962165.db2.gz DKRPHZJGJJPXPI-UHFFFAOYSA-N 1 3 381.524 0.796 20 0 GCADHO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000923483502 1201039764 /nfs/dbraw/zinc/03/97/64/1201039764.db2.gz BAEVPHOGKZOTLC-OAHLLOKOSA-N 1 3 398.504 0.329 20 0 GCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000731502084 1201485563 /nfs/dbraw/zinc/48/55/63/1201485563.db2.gz GJQWYYJNXWFQCU-IAGOWNOFSA-N 1 3 381.521 0.092 20 0 GCADHO C[C@@H]1CN(C(=O)COCCOCC(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)[C@H](C)CN1C ZINC000769147292 1202047838 /nfs/dbraw/zinc/04/78/38/1202047838.db2.gz WYCOXLXPAVHMAZ-USTZCAOPSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1CN(C(=O)COCCOCC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)[C@H](C)CN1C ZINC000769147292 1202047842 /nfs/dbraw/zinc/04/78/42/1202047842.db2.gz WYCOXLXPAVHMAZ-USTZCAOPSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)COCCOCC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000769147292 1202047843 /nfs/dbraw/zinc/04/78/43/1202047843.db2.gz WYCOXLXPAVHMAZ-USTZCAOPSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)COCCOCC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000769147292 1202047847 /nfs/dbraw/zinc/04/78/47/1202047847.db2.gz WYCOXLXPAVHMAZ-USTZCAOPSA-N 1 3 398.548 0.122 20 0 GCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[N@H+](CC)CCO)cc2)CC1 ZINC000769266640 1202052977 /nfs/dbraw/zinc/05/29/77/1202052977.db2.gz FKRILZATGBZOPY-UHFFFAOYSA-N 1 3 391.516 0.197 20 0 GCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[N@@H+](CC)CCO)cc2)CC1 ZINC000769266640 1202052980 /nfs/dbraw/zinc/05/29/80/1202052980.db2.gz FKRILZATGBZOPY-UHFFFAOYSA-N 1 3 391.516 0.197 20 0 GCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787668129 1205398226 /nfs/dbraw/zinc/39/82/26/1205398226.db2.gz DAQMWZUEPCHCAH-WMZOPIPTSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000787703835 1205399164 /nfs/dbraw/zinc/39/91/64/1205399164.db2.gz DNTTXIDMBZXCHZ-XWTMOSNGSA-N 1 3 380.533 0.450 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000787703835 1205399167 /nfs/dbraw/zinc/39/91/67/1205399167.db2.gz DNTTXIDMBZXCHZ-XWTMOSNGSA-N 1 3 380.533 0.450 20 0 GCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000787910563 1205407192 /nfs/dbraw/zinc/40/71/92/1205407192.db2.gz ONZYQTSVHOUDJC-FGTMMUONSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000787910563 1205407193 /nfs/dbraw/zinc/40/71/93/1205407193.db2.gz ONZYQTSVHOUDJC-FGTMMUONSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)N1CCCCC1 ZINC000793700211 1205504276 /nfs/dbraw/zinc/50/42/76/1205504276.db2.gz MKEOJKUPKFKQHQ-INIZCTEOSA-N 1 3 391.516 0.629 20 0 GCADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)([NH+](C)C)C1 ZINC000793815136 1205507257 /nfs/dbraw/zinc/50/72/57/1205507257.db2.gz WFQUWFTYPCCJCG-WWNBULGVSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)([NH+](C)C)C1 ZINC000793815139 1205507415 /nfs/dbraw/zinc/50/74/15/1205507415.db2.gz WFQUWFTYPCCJCG-YLAKUSLOSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793915349 1205509456 /nfs/dbraw/zinc/50/94/56/1205509456.db2.gz XSGIMLPBKYKAKA-ADHGMGHFSA-N 1 3 380.533 0.448 20 0 GCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793915349 1205509457 /nfs/dbraw/zinc/50/94/57/1205509457.db2.gz XSGIMLPBKYKAKA-ADHGMGHFSA-N 1 3 380.533 0.448 20 0 GCADHO CC(C)COCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129854989 1205521129 /nfs/dbraw/zinc/52/11/29/1205521129.db2.gz DRPLKUHDUQCGQO-TVFCKZIOSA-N 1 3 378.521 0.632 20 0 GCADHO CC(C)COCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129854989 1205521130 /nfs/dbraw/zinc/52/11/30/1205521130.db2.gz DRPLKUHDUQCGQO-TVFCKZIOSA-N 1 3 378.521 0.632 20 0 GCADHO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCC2 ZINC000806300075 1205553630 /nfs/dbraw/zinc/55/36/30/1205553630.db2.gz HPYBJECDTXYGQL-QGZVFWFLSA-N 1 3 392.548 0.909 20 0 GCADHO CC1CCC2(CC1)OC[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)O2 ZINC000806707286 1205563824 /nfs/dbraw/zinc/56/38/24/1205563824.db2.gz PZOGXNLCEMHDBX-GNZRSQJKSA-N 1 3 398.548 0.376 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCCC1 ZINC000808344765 1205605662 /nfs/dbraw/zinc/60/56/62/1205605662.db2.gz WYBAHHUSZVKREK-NXHRZFHOSA-N 1 3 380.533 0.471 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(=O)NC)CC2)CC[N@@H+]1C ZINC001131500040 1205613326 /nfs/dbraw/zinc/61/33/26/1205613326.db2.gz GMIJXXFLQUEOGY-FAJBIJEISA-N 1 3 380.533 0.448 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(=O)NC)CC2)CC[N@H+]1C ZINC001131500040 1205613327 /nfs/dbraw/zinc/61/33/27/1205613327.db2.gz GMIJXXFLQUEOGY-FAJBIJEISA-N 1 3 380.533 0.448 20 0 GCADHO O=C(CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)NCC[NH+]1CCCCCC1 ZINC000814296863 1205689240 /nfs/dbraw/zinc/68/92/40/1205689240.db2.gz MLKJNZSVSCYHJT-IRXDYDNUSA-N 1 3 381.521 0.141 20 0 GCADHO CN(C)CCN1CCN(C)C2(CC[NH+](C3C[C@@H]4COC[C@H](C3)N4C)CC2)C1=O ZINC001172136756 1205712767 /nfs/dbraw/zinc/71/27/67/1205712767.db2.gz IDSPQVNUMYUCGR-YQQQUEKLSA-N 1 3 393.576 0.018 20 0 GCADHO CNC(=O)CO[C@H]1CO[C@@]2(C1)CCCN(C1CC[NH+](CCCOC)CC1)C2 ZINC001172251156 1205715294 /nfs/dbraw/zinc/71/52/94/1205715294.db2.gz LEVHZSBTKLMKKC-UYAOXDASSA-N 1 3 383.533 0.873 20 0 GCADHO CCN1CC[C@H](N(C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001173363191 1205719867 /nfs/dbraw/zinc/71/98/67/1205719867.db2.gz JOBNSQROQAIGFH-AYBZRNKSSA-N 1 3 379.480 0.911 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccon2)[C@H](O)OC(C)(C)C)C1 ZINC001177516945 1205770879 /nfs/dbraw/zinc/77/08/79/1205770879.db2.gz QNHXQHKCMVUPAB-GIVGJKMXSA-N 1 3 398.504 0.513 20 0 GCADHO C[C@H](O)CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001181356011 1205842640 /nfs/dbraw/zinc/84/26/40/1205842640.db2.gz IUVRTGNRQSIAQH-WHLPPUOISA-N 1 3 375.510 0.053 20 0 GCADHO CN1CCC(O)(C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001182031077 1205854078 /nfs/dbraw/zinc/85/40/78/1205854078.db2.gz LHNIJGKERPZREQ-KDOFPFPSSA-N 1 3 378.448 0.531 20 0 GCADHO Cc1n[nH]cc1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001188061581 1205974769 /nfs/dbraw/zinc/97/47/69/1205974769.db2.gz IZIPQQGXVYVYJH-KISBBLTOSA-N 1 3 397.520 0.627 20 0 GCADHO CN1CC[NH+](C2CCN(C3CCN(S(=O)(=O)CC4CC4)CC3)CC2)CC1 ZINC001188965374 1205993769 /nfs/dbraw/zinc/99/37/69/1205993769.db2.gz UMMMBNOUDWUJOK-UHFFFAOYSA-N 1 3 384.590 0.902 20 0 GCADHO CC(C)N(C)Cc1nn(-c2ccnc(N3CCN(C)CC3)n2)c2c1CC[NH2+]C2 ZINC001164679554 719644474 /nfs/dbraw/zinc/64/44/74/719644474.db2.gz GIEQDBRZFJVODR-UHFFFAOYSA-N 1 3 384.532 0.900 20 0 GCADHO Cn1nnc2c1CCN(c1ncc3c(n1)CCNC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164713498 720171783 /nfs/dbraw/zinc/17/17/83/720171783.db2.gz LMJKAYISEOCDHG-SFHVURJKSA-N 1 3 398.515 0.467 20 0 GCADHO Cc1cc(NC[C@H]2CCCN2C(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571271615 945645820 /nfs/dbraw/zinc/64/58/20/945645820.db2.gz FRZKWCXENBPTBE-PBHICJAKSA-N 1 3 386.504 0.981 20 0 GCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078046 951677193 /nfs/dbraw/zinc/67/71/93/951677193.db2.gz JNEPOKVFUQKJJW-OCCSQVGLSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078046 951677201 /nfs/dbraw/zinc/67/72/01/951677201.db2.gz JNEPOKVFUQKJJW-OCCSQVGLSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089068 951745429 /nfs/dbraw/zinc/74/54/29/951745429.db2.gz CYGDKXSYRKDIRP-SWLSCSKDSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089068 951745439 /nfs/dbraw/zinc/74/54/39/951745439.db2.gz CYGDKXSYRKDIRP-SWLSCSKDSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089070 951745917 /nfs/dbraw/zinc/74/59/17/951745917.db2.gz CYGDKXSYRKDIRP-WFASDCNBSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089070 951745920 /nfs/dbraw/zinc/74/59/20/951745920.db2.gz CYGDKXSYRKDIRP-WFASDCNBSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571190785 952944237 /nfs/dbraw/zinc/94/42/37/952944237.db2.gz LXCBRCRKFHHODX-RHSMWYFYSA-N 1 3 381.484 0.899 20 0 GCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571190785 952944239 /nfs/dbraw/zinc/94/42/39/952944239.db2.gz LXCBRCRKFHHODX-RHSMWYFYSA-N 1 3 381.484 0.899 20 0 GCADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000264873102 530169786 /nfs/dbraw/zinc/16/97/86/530169786.db2.gz GWPSJAOMMYWQLT-UHFFFAOYSA-N 1 3 390.575 0.758 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCn1cc(Br)ccc1=O ZINC000103212783 530666554 /nfs/dbraw/zinc/66/65/54/530666554.db2.gz VMWNKLWGDFZBLJ-UHFFFAOYSA-N 1 3 387.322 0.953 20 0 GCADHO C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736771428 598528221 /nfs/dbraw/zinc/52/82/21/598528221.db2.gz LEQIETBKGJKIOA-CQSZACIVSA-N 1 3 397.487 0.835 20 0 GCADHO C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736771428 598528222 /nfs/dbraw/zinc/52/82/22/598528222.db2.gz LEQIETBKGJKIOA-CQSZACIVSA-N 1 3 397.487 0.835 20 0 GCADHO Cn1ncc(I)c1CN[C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925727518 641915949 /nfs/dbraw/zinc/91/59/49/641915949.db2.gz GWLWQZSPHKJJDS-JFYCNLTCSA-N 1 3 376.242 0.867 20 0 GCADHO C[C@@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H]1CCN ZINC000652354153 1192202830 /nfs/dbraw/zinc/20/28/30/1192202830.db2.gz OGGJUDAFDCRRBQ-QAPCUYQASA-N 1 3 396.557 0.832 20 0 GCADHO C[C@@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H]1CCN ZINC000652354153 1192202833 /nfs/dbraw/zinc/20/28/33/1192202833.db2.gz OGGJUDAFDCRRBQ-QAPCUYQASA-N 1 3 396.557 0.832 20 0 GCADHO C[C@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CCN ZINC000652354152 1192203016 /nfs/dbraw/zinc/20/30/16/1192203016.db2.gz OGGJUDAFDCRRBQ-MAUKXSAKSA-N 1 3 396.557 0.832 20 0 GCADHO C[C@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CCN ZINC000652354152 1192203017 /nfs/dbraw/zinc/20/30/17/1192203017.db2.gz OGGJUDAFDCRRBQ-MAUKXSAKSA-N 1 3 396.557 0.832 20 0 GCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652468717 1192229314 /nfs/dbraw/zinc/22/93/14/1192229314.db2.gz PERMFLGEDGQZTF-GOSISDBHSA-N 1 3 382.549 0.890 20 0 GCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000652471960 1192229490 /nfs/dbraw/zinc/22/94/90/1192229490.db2.gz OXEDGHVDSAJVOP-UHFFFAOYSA-N 1 3 382.549 0.890 20 0 GCADHO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CN(C)CCN3C)C2)cc1 ZINC000636702842 1192272469 /nfs/dbraw/zinc/27/24/69/1192272469.db2.gz ZUBPGDSTGAIDTN-RTBURBONSA-N 1 3 387.528 0.048 20 0 GCADHO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CN(C)CCN3C)C2)cc1 ZINC000636702842 1192272472 /nfs/dbraw/zinc/27/24/72/1192272472.db2.gz ZUBPGDSTGAIDTN-RTBURBONSA-N 1 3 387.528 0.048 20 0 GCADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662577114 1192313868 /nfs/dbraw/zinc/31/38/68/1192313868.db2.gz DHCVFVQLTMJKDM-FHWLQOOXSA-N 1 3 383.496 0.968 20 0 GCADHO CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000585688556 1192371636 /nfs/dbraw/zinc/37/16/36/1192371636.db2.gz WNBMUHSTGFXTRY-GOSISDBHSA-N 1 3 379.549 0.214 20 0 GCADHO CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCN(C)CC1 ZINC000663562302 1192390932 /nfs/dbraw/zinc/39/09/32/1192390932.db2.gz YULPGQPDXAYSCE-OALUTQOASA-N 1 3 381.565 0.811 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652673309 1192429420 /nfs/dbraw/zinc/42/94/20/1192429420.db2.gz KUZWIADWCUDSLE-BCYZHJNNSA-N 1 3 394.560 0.968 20 0 GCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652682266 1192523972 /nfs/dbraw/zinc/52/39/72/1192523972.db2.gz GKBXFRJGNQMUCR-OKZBNKHCSA-N 1 3 380.533 0.579 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000637477407 1192590765 /nfs/dbraw/zinc/59/07/65/1192590765.db2.gz UAEUXESSJVGTKM-ROUUACIJSA-N 1 3 377.533 0.951 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000637477407 1192590769 /nfs/dbraw/zinc/59/07/69/1192590769.db2.gz UAEUXESSJVGTKM-ROUUACIJSA-N 1 3 377.533 0.951 20 0 GCADHO CN(CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1)Cc1ccccc1 ZINC000418752057 1192639079 /nfs/dbraw/zinc/63/90/79/1192639079.db2.gz BEGAKENUPDOHRB-HXUWFJFHSA-N 1 3 388.560 0.349 20 0 GCADHO C[NH2+][C@@H](C)CNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418783612 1192644580 /nfs/dbraw/zinc/64/45/80/1192644580.db2.gz OVTXXRJANYGTGL-KRWDZBQOSA-N 1 3 375.517 0.429 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000418782336 1192644600 /nfs/dbraw/zinc/64/46/00/1192644600.db2.gz NHLGTCREZKJKBO-HKUYNNGSSA-N 1 3 387.528 0.511 20 0 GCADHO [NH3+][C@H](CNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000418790290 1192645168 /nfs/dbraw/zinc/64/51/68/1192645168.db2.gz XHBRMBLAQPDLNC-LJQANCHMSA-N 1 3 387.528 0.559 20 0 GCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418789774 1192646493 /nfs/dbraw/zinc/64/64/93/1192646493.db2.gz WWUHHQMONGZMCS-IBGZPJMESA-N 1 3 389.544 0.805 20 0 GCADHO COc1ccc([C@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)N(C)C)cc1OC ZINC000418828742 1192658297 /nfs/dbraw/zinc/65/82/97/1192658297.db2.gz HYXYLLMDWQUSDJ-ZFWWWQNUSA-N 1 3 378.473 0.243 20 0 GCADHO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000418841563 1192663257 /nfs/dbraw/zinc/66/32/57/1192663257.db2.gz GSNUKMGXXVKCIX-BGYRXZFFSA-N 1 3 399.539 0.273 20 0 GCADHO NC1(CNC(=O)C(=O)N[C@@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000418855500 1192668245 /nfs/dbraw/zinc/66/82/45/1192668245.db2.gz DSHDAXUUFDIDEK-MRXNPFEDSA-N 1 3 376.526 0.718 20 0 GCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc(OC)c1 ZINC000419070485 1192766224 /nfs/dbraw/zinc/76/62/24/1192766224.db2.gz HIWCVHRWGMAZFQ-SCTDSRPQSA-N 1 3 388.512 0.872 20 0 GCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000237946960 1192772665 /nfs/dbraw/zinc/77/26/65/1192772665.db2.gz RUGXWIRVUFXECX-SFHVURJKSA-N 1 3 387.528 0.512 20 0 GCADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1cccc(OC)c1 ZINC000419074761 1192772788 /nfs/dbraw/zinc/77/27/88/1192772788.db2.gz MGSQYRUIKYCWOQ-ZWKOTPCHSA-N 1 3 392.500 0.299 20 0 GCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419077775 1192775760 /nfs/dbraw/zinc/77/57/60/1192775760.db2.gz JRUABXYVGFMGES-SJORKVTESA-N 1 3 391.520 0.281 20 0 GCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419077775 1192775763 /nfs/dbraw/zinc/77/57/63/1192775763.db2.gz JRUABXYVGFMGES-SJORKVTESA-N 1 3 391.520 0.281 20 0 GCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419077772 1192775786 /nfs/dbraw/zinc/77/57/86/1192775786.db2.gz JRUABXYVGFMGES-DLBZAZTESA-N 1 3 391.520 0.281 20 0 GCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419077772 1192775790 /nfs/dbraw/zinc/77/57/90/1192775790.db2.gz JRUABXYVGFMGES-DLBZAZTESA-N 1 3 391.520 0.281 20 0 GCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419131563 1192805635 /nfs/dbraw/zinc/80/56/35/1192805635.db2.gz ALFMJVNBUDNZQC-OALUTQOASA-N 1 3 388.512 0.734 20 0 GCADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)C(C)(C)C ZINC000419131841 1192806367 /nfs/dbraw/zinc/80/63/67/1192806367.db2.gz HAFZNYWBPJTKFO-CVEARBPZSA-N 1 3 393.536 0.383 20 0 GCADHO O=C1[C@H]([NH2+]CCCCN2CCN(CCO)CC2)CCN1c1ccc(F)cc1 ZINC000419141039 1192812256 /nfs/dbraw/zinc/81/22/56/1192812256.db2.gz KGJUTQHOTFYLIP-LJQANCHMSA-N 1 3 378.492 0.911 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419159201 1192818183 /nfs/dbraw/zinc/81/81/83/1192818183.db2.gz YZLOTUVUQZIZNA-ZBFHGGJFSA-N 1 3 392.500 0.472 20 0 GCADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419165300 1192822809 /nfs/dbraw/zinc/82/28/09/1192822809.db2.gz NILSWADMZLPTFD-HKUYNNGSSA-N 1 3 388.512 0.510 20 0 GCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419169669 1192825092 /nfs/dbraw/zinc/82/50/92/1192825092.db2.gz VALZIDQFFPTVHT-MSOLQXFVSA-N 1 3 376.501 0.493 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419197618 1192829880 /nfs/dbraw/zinc/82/98/80/1192829880.db2.gz BSDKDCSYONUKGZ-PBHICJAKSA-N 1 3 392.500 0.472 20 0 GCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419168828 1192830550 /nfs/dbraw/zinc/83/05/50/1192830550.db2.gz TUOMQLXVEAAEHJ-QRQLOZEOSA-N 1 3 388.512 0.589 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419197623 1192830826 /nfs/dbraw/zinc/83/08/26/1192830826.db2.gz BSDKDCSYONUKGZ-WMLDXEAASA-N 1 3 392.500 0.472 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000419181047 1192833307 /nfs/dbraw/zinc/83/33/07/1192833307.db2.gz KLOLVNHWCZUCRF-QZTJIDSGSA-N 1 3 393.576 0.509 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1(C)C ZINC000419180928 1192834008 /nfs/dbraw/zinc/83/40/08/1192834008.db2.gz KCACLQVERYCXLU-UHFFFAOYSA-N 1 3 381.565 0.557 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CC[NH2+]1 ZINC000419218202 1192918069 /nfs/dbraw/zinc/91/80/69/1192918069.db2.gz RUJBDPZYWVJMNK-ULQDDVLXSA-N 1 3 388.512 0.732 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c2)CC1 ZINC000274556840 1184098555 /nfs/dbraw/zinc/09/85/55/1184098555.db2.gz WDZACEALQNKNFY-HXUWFJFHSA-N 1 3 391.516 0.196 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654730175 1184109101 /nfs/dbraw/zinc/10/91/01/1184109101.db2.gz MNONUMVAQYVSNR-KZNAEPCWSA-N 1 3 377.533 0.951 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654730175 1184109106 /nfs/dbraw/zinc/10/91/06/1184109106.db2.gz MNONUMVAQYVSNR-KZNAEPCWSA-N 1 3 377.533 0.951 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)NCC[N@H+](CC)CCO)CC1 ZINC000274620996 1184124378 /nfs/dbraw/zinc/12/43/78/1184124378.db2.gz FTTSPASMNMWWQV-UHFFFAOYSA-N 1 3 391.560 0.938 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)NCC[N@@H+](CC)CCO)CC1 ZINC000274620996 1184124383 /nfs/dbraw/zinc/12/43/83/1184124383.db2.gz FTTSPASMNMWWQV-UHFFFAOYSA-N 1 3 391.560 0.938 20 0 GCADHO CCCN(C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H]1CCN(C)C1 ZINC000647019544 1184786244 /nfs/dbraw/zinc/78/62/44/1184786244.db2.gz MPKLIUSRVWRHMT-LJQANCHMSA-N 1 3 393.576 0.604 20 0 GCADHO CC(C)OCC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001143378932 1184820099 /nfs/dbraw/zinc/82/00/99/1184820099.db2.gz HDUAHEKTQOYHKJ-OLEVXBPZSA-N 1 3 389.537 0.707 20 0 GCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1=O ZINC001648837571 1184837995 /nfs/dbraw/zinc/83/79/95/1184837995.db2.gz VMTZWQZDZHJORJ-DLBZAZTESA-N 1 3 389.500 0.203 20 0 GCADHO CN(C)CCN1C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1=O ZINC000121983179 1184912592 /nfs/dbraw/zinc/91/25/92/1184912592.db2.gz NQMNONDIYLYDQZ-NXHRZFHOSA-N 1 3 380.533 0.281 20 0 GCADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)CC2)C1 ZINC000656029235 1184965513 /nfs/dbraw/zinc/96/55/13/1184965513.db2.gz XEPPJEKVWQZLOK-HCXYKTFWSA-N 1 3 392.544 0.864 20 0 GCADHO CN(C)CCn1nccc1NC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001670518358 1185032835 /nfs/dbraw/zinc/03/28/35/1185032835.db2.gz YJLNKULCQQMMQZ-UHFFFAOYSA-N 1 3 379.509 0.366 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000275818901 1185150138 /nfs/dbraw/zinc/15/01/38/1185150138.db2.gz FJRMVVWCNDEHOG-KRWDZBQOSA-N 1 3 389.500 0.599 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000275818901 1185150140 /nfs/dbraw/zinc/15/01/40/1185150140.db2.gz FJRMVVWCNDEHOG-KRWDZBQOSA-N 1 3 389.500 0.599 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000275916273 1185272213 /nfs/dbraw/zinc/27/22/13/1185272213.db2.gz HBDMSKFTEFKKOJ-UHFFFAOYSA-N 1 3 389.544 0.825 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(C)CC1 ZINC000656288359 1185334842 /nfs/dbraw/zinc/33/48/42/1185334842.db2.gz AYHQHYLJZHJBDR-OTWHNJEPSA-N 1 3 393.576 0.508 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(C)CC1 ZINC000656288359 1185334848 /nfs/dbraw/zinc/33/48/48/1185334848.db2.gz AYHQHYLJZHJBDR-OTWHNJEPSA-N 1 3 393.576 0.508 20 0 GCADHO Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001707885947 1185402032 /nfs/dbraw/zinc/40/20/32/1185402032.db2.gz CJVRRHLXVBQMAH-UYAOXDASSA-N 1 3 391.564 0.258 20 0 GCADHO Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001707885947 1185402035 /nfs/dbraw/zinc/40/20/35/1185402035.db2.gz CJVRRHLXVBQMAH-UYAOXDASSA-N 1 3 391.564 0.258 20 0 GCADHO N[C@H]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCSCC4)CCCC3)CCN2C1=O ZINC000580904534 1185411522 /nfs/dbraw/zinc/41/15/22/1185411522.db2.gz WFLSDIOLOXXBIW-CABCVRRESA-N 1 3 381.546 0.301 20 0 GCADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656353387 1185449804 /nfs/dbraw/zinc/44/98/04/1185449804.db2.gz ANRYNDQYNAJILU-ROUUACIJSA-N 1 3 380.533 0.689 20 0 GCADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656361021 1185464532 /nfs/dbraw/zinc/46/45/32/1185464532.db2.gz XMOQILZOXYLMKR-MSOLQXFVSA-N 1 3 382.549 0.936 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccn(CCOC)n1 ZINC000276074947 1185548505 /nfs/dbraw/zinc/54/85/05/1185548505.db2.gz SYNWASKJYOQKML-INIZCTEOSA-N 1 3 394.520 0.343 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccn(CCOC)n1 ZINC000276074947 1185548508 /nfs/dbraw/zinc/54/85/08/1185548508.db2.gz SYNWASKJYOQKML-INIZCTEOSA-N 1 3 394.520 0.343 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(C)COC2)[C@H](O)OC(C)(C)C)C1 ZINC001143391330 1185603600 /nfs/dbraw/zinc/60/36/00/1185603600.db2.gz RMSYWVCVZYJKQT-WNZSCWOMSA-N 1 3 387.521 0.319 20 0 GCADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC1 ZINC000581440822 1185692205 /nfs/dbraw/zinc/69/22/05/1185692205.db2.gz SDQAKJPXTLWPPI-IPMKNSEASA-N 1 3 385.512 0.850 20 0 GCADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC1 ZINC000581440822 1185692208 /nfs/dbraw/zinc/69/22/08/1185692208.db2.gz SDQAKJPXTLWPPI-IPMKNSEASA-N 1 3 385.512 0.850 20 0 GCADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000430639391 1185842982 /nfs/dbraw/zinc/84/29/82/1185842982.db2.gz HYVYSYOETMGCDK-KRWDZBQOSA-N 1 3 379.549 0.119 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891482575 1185887352 /nfs/dbraw/zinc/88/73/52/1185887352.db2.gz KBZJSVDUTDSXKH-OALUTQOASA-N 1 3 387.528 0.943 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000419902943 1185978239 /nfs/dbraw/zinc/97/82/39/1185978239.db2.gz WFUGXVLUARPUOX-SJORKVTESA-N 1 3 376.501 0.972 20 0 GCADHO CC(C)N(C)CCNS(=O)(=O)c1c[nH]c(C(=O)NCC[N@H+](C)C(C)C)c1 ZINC000548368577 1186010312 /nfs/dbraw/zinc/01/03/12/1186010312.db2.gz KLMDNBXNSJUCNU-UHFFFAOYSA-N 1 3 387.550 0.703 20 0 GCADHO CC(C)N(C)CCNS(=O)(=O)c1c[nH]c(C(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000548368577 1186010316 /nfs/dbraw/zinc/01/03/16/1186010316.db2.gz KLMDNBXNSJUCNU-UHFFFAOYSA-N 1 3 387.550 0.703 20 0 GCADHO CCS(=O)(=O)NCCCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000510549584 1186026366 /nfs/dbraw/zinc/02/63/66/1186026366.db2.gz MPZKZRUNBTXWCT-UHFFFAOYSA-N 1 3 390.594 0.732 20 0 GCADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000430968219 1186076418 /nfs/dbraw/zinc/07/64/18/1186076418.db2.gz WBWOYDULHCYZRY-AWEZNQCLSA-N 1 3 386.504 0.071 20 0 GCADHO Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001707915695 1186273132 /nfs/dbraw/zinc/27/31/32/1186273132.db2.gz WMQRADBIBDVFLV-SFHVURJKSA-N 1 3 392.548 0.592 20 0 GCADHO CN1CCN(CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1(C)C ZINC000431306193 1186333990 /nfs/dbraw/zinc/33/39/90/1186333990.db2.gz OYFSMRDORFHPAD-UHFFFAOYSA-N 1 3 396.580 0.304 20 0 GCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000892186862 1186418157 /nfs/dbraw/zinc/41/81/57/1186418157.db2.gz DRAFZFBWHSXJRH-BRWVUGGUSA-N 1 3 377.533 0.890 20 0 GCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000892186863 1186418688 /nfs/dbraw/zinc/41/86/88/1186418688.db2.gz DRAFZFBWHSXJRH-GVDBMIGSSA-N 1 3 377.533 0.890 20 0 GCADHO CN1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000582230721 1186470309 /nfs/dbraw/zinc/47/03/09/1186470309.db2.gz XGHRNKDSQZOUMK-FQEVSTJZSA-N 1 3 388.560 0.479 20 0 GCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000582532603 1186558987 /nfs/dbraw/zinc/55/89/87/1186558987.db2.gz BWHHZNARDRPRRO-OALUTQOASA-N 1 3 393.576 0.556 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000582555215 1186565574 /nfs/dbraw/zinc/56/55/74/1186565574.db2.gz KAARTMNTCDZKGJ-MRXNPFEDSA-N 1 3 380.533 0.546 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000582680703 1186607903 /nfs/dbraw/zinc/60/79/03/1186607903.db2.gz LRECSKAJIOBUDS-MSOLQXFVSA-N 1 3 379.549 0.073 20 0 GCADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000583012389 1186747677 /nfs/dbraw/zinc/74/76/77/1186747677.db2.gz SNIKYQDWMQBZCF-KRWDZBQOSA-N 1 3 382.468 0.665 20 0 GCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000150740599 1186764395 /nfs/dbraw/zinc/76/43/95/1186764395.db2.gz AGKABWHFEOBOAI-GOSISDBHSA-N 1 3 379.549 0.914 20 0 GCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000150740599 1186764399 /nfs/dbraw/zinc/76/43/99/1186764399.db2.gz AGKABWHFEOBOAI-GOSISDBHSA-N 1 3 379.549 0.914 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000124625781 1186799325 /nfs/dbraw/zinc/79/93/25/1186799325.db2.gz SFDRZONMHHXBDQ-MRXNPFEDSA-N 1 3 377.489 0.198 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000124625781 1186799327 /nfs/dbraw/zinc/79/93/27/1186799327.db2.gz SFDRZONMHHXBDQ-MRXNPFEDSA-N 1 3 377.489 0.198 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cn(C)c(=O)cc1C ZINC000124650303 1186799886 /nfs/dbraw/zinc/79/98/86/1186799886.db2.gz FCSWLFYGQMOUHB-MRXNPFEDSA-N 1 3 391.516 0.507 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cn(C)c(=O)cc1C ZINC000124650303 1186799889 /nfs/dbraw/zinc/79/98/89/1186799889.db2.gz FCSWLFYGQMOUHB-MRXNPFEDSA-N 1 3 391.516 0.507 20 0 GCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392504 1186843882 /nfs/dbraw/zinc/84/38/82/1186843882.db2.gz IKEJGSASJRVWCX-IPMKNSEASA-N 1 3 385.512 0.504 20 0 GCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392504 1186843883 /nfs/dbraw/zinc/84/38/83/1186843883.db2.gz IKEJGSASJRVWCX-IPMKNSEASA-N 1 3 385.512 0.504 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N[C@H]1CCCN(CCCO)C1 ZINC000458541248 1186861997 /nfs/dbraw/zinc/86/19/97/1186861997.db2.gz AEPWPQBUWUJGFI-IPMKNSEASA-N 1 3 382.549 0.900 20 0 GCADHO CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000278328265 1186890296 /nfs/dbraw/zinc/89/02/96/1186890296.db2.gz VYKAXUOLQONXHH-ROUUACIJSA-N 1 3 375.517 0.806 20 0 GCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000583778182 1186937358 /nfs/dbraw/zinc/93/73/58/1186937358.db2.gz GIQUVWUSUZAREV-QFBILLFUSA-N 1 3 391.560 0.071 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)CC1 ZINC000050800325 1186952228 /nfs/dbraw/zinc/95/22/28/1186952228.db2.gz GZVAIJCNYCZXAM-KRWDZBQOSA-N 1 3 386.562 0.475 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611840127 1187047333 /nfs/dbraw/zinc/04/73/33/1187047333.db2.gz ZTARILXRHDSGAT-SJORKVTESA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N1CCC[C@@H](C)C1 ZINC000375748615 1187058983 /nfs/dbraw/zinc/05/89/83/1187058983.db2.gz IPLWKQYLPCLQHN-CVEARBPZSA-N 1 3 390.532 1.325 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N(C)CC[N@H+](C)C3CC3)C2)CC1 ZINC000584456006 1187070500 /nfs/dbraw/zinc/07/05/00/1187070500.db2.gz XXXAEIVOQIEGNX-GOSISDBHSA-N 1 3 379.549 0.166 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C3CC3)C2)CC1 ZINC000584456006 1187070502 /nfs/dbraw/zinc/07/05/02/1187070502.db2.gz XXXAEIVOQIEGNX-GOSISDBHSA-N 1 3 379.549 0.166 20 0 GCADHO [NH3+][C@@H](CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)Cc1ccccc1 ZINC000892400514 1187150301 /nfs/dbraw/zinc/15/03/01/1187150301.db2.gz SNKYFYHCIKAUDJ-IBGZPJMESA-N 1 3 387.528 0.896 20 0 GCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000658084567 1187242901 /nfs/dbraw/zinc/24/29/01/1187242901.db2.gz DHSXUYSEHYTGNK-SFHVURJKSA-N 1 3 381.565 0.271 20 0 GCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000658084567 1187242905 /nfs/dbraw/zinc/24/29/05/1187242905.db2.gz DHSXUYSEHYTGNK-SFHVURJKSA-N 1 3 381.565 0.271 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC000658534422 1187328089 /nfs/dbraw/zinc/32/80/89/1187328089.db2.gz BNXXBNAQIQYLDM-LJQANCHMSA-N 1 3 389.544 0.676 20 0 GCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612479228 1187502818 /nfs/dbraw/zinc/50/28/18/1187502818.db2.gz AOQYBLQFKSBBNZ-AEFFLSMTSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612479229 1187502991 /nfs/dbraw/zinc/50/29/91/1187502991.db2.gz AOQYBLQFKSBBNZ-FUHWJXTLSA-N 1 3 380.533 0.593 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668778113 1187521624 /nfs/dbraw/zinc/52/16/24/1187521624.db2.gz ISGOUXJCVIZFDO-HOTGVXAUSA-N 1 3 395.548 0.034 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668778113 1187521626 /nfs/dbraw/zinc/52/16/26/1187521626.db2.gz ISGOUXJCVIZFDO-HOTGVXAUSA-N 1 3 395.548 0.034 20 0 GCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000612545327 1187521841 /nfs/dbraw/zinc/52/18/41/1187521841.db2.gz JMYKRMLNMOYSTL-QGZVFWFLSA-N 1 3 380.533 0.690 20 0 GCADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCOC4)CC3)C2)CC1 ZINC000612598158 1187538492 /nfs/dbraw/zinc/53/84/92/1187538492.db2.gz SFLCVVSFTGYAEG-PKOBYXMFSA-N 1 3 392.544 0.546 20 0 GCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCOC4)CC3)C2)CC1 ZINC000612598156 1187538694 /nfs/dbraw/zinc/53/86/94/1187538694.db2.gz SFLCVVSFTGYAEG-IEBWSBKVSA-N 1 3 392.544 0.546 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000612599139 1187538849 /nfs/dbraw/zinc/53/88/49/1187538849.db2.gz PUJVEIRPQHJZQH-QZTJIDSGSA-N 1 3 378.517 0.443 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C[NH+]1CCCCC1 ZINC000612602440 1187540331 /nfs/dbraw/zinc/54/03/31/1187540331.db2.gz XVSDQXMAQNHSPZ-SJLPKXTDSA-N 1 3 380.533 0.594 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173926995 1187742633 /nfs/dbraw/zinc/74/26/33/1187742633.db2.gz ADSAQKDVABGFAU-UHFFFAOYSA-N 1 3 379.509 0.463 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)CC2)CC1 ZINC000332845187 1187792740 /nfs/dbraw/zinc/79/27/40/1187792740.db2.gz GHIJFFMDVASFEK-QGZVFWFLSA-N 1 3 392.548 0.791 20 0 GCADHO C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)CC2)C[C@@H](C)O1 ZINC000658993225 1187833918 /nfs/dbraw/zinc/83/39/18/1187833918.db2.gz IXRAWMYAAIFPMH-ZHALLVOQSA-N 1 3 392.544 0.641 20 0 GCADHO O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659096933 1187877265 /nfs/dbraw/zinc/87/72/65/1187877265.db2.gz FPTGZDRLKPCAMX-IRXDYDNUSA-N 1 3 382.468 0.747 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000659113522 1187890342 /nfs/dbraw/zinc/89/03/42/1187890342.db2.gz WYTJHVDXANMXSM-UHFFFAOYSA-N 1 3 398.467 0.882 20 0 GCADHO C[NH+](C)CCCOc1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659451306 1187960363 /nfs/dbraw/zinc/96/03/63/1187960363.db2.gz OOAPNRNQPYFYHI-UHFFFAOYSA-N 1 3 388.472 0.971 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)C1 ZINC000659456310 1187961051 /nfs/dbraw/zinc/96/10/51/1187961051.db2.gz KMEFWQJMGSJISM-HIFRSBDPSA-N 1 3 380.493 0.577 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)C1 ZINC000659456310 1187961054 /nfs/dbraw/zinc/96/10/54/1187961054.db2.gz KMEFWQJMGSJISM-HIFRSBDPSA-N 1 3 380.493 0.577 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000659478257 1187962916 /nfs/dbraw/zinc/96/29/16/1187962916.db2.gz BYHAWTQVYLDBMH-INIZCTEOSA-N 1 3 386.456 0.207 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)n1 ZINC000659478257 1187962917 /nfs/dbraw/zinc/96/29/17/1187962917.db2.gz BYHAWTQVYLDBMH-INIZCTEOSA-N 1 3 386.456 0.207 20 0 GCADHO C[NH+](C)CCCOc1cnccc1CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659493513 1187965438 /nfs/dbraw/zinc/96/54/38/1187965438.db2.gz USJFDCOZNGSCAT-UHFFFAOYSA-N 1 3 389.460 0.366 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1(C)C ZINC000659688570 1187998248 /nfs/dbraw/zinc/99/82/48/1187998248.db2.gz BIQDNVUGKWKCGY-SFHVURJKSA-N 1 3 393.576 0.367 20 0 GCADHO CC[C@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[C@H]1[NH3+] ZINC000659729935 1188015175 /nfs/dbraw/zinc/01/51/75/1188015175.db2.gz QOUQFHVIORMKBZ-RBUKOAKNSA-N 1 3 387.528 0.996 20 0 GCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@@H]1C[NH3+] ZINC000659729927 1188015277 /nfs/dbraw/zinc/01/52/77/1188015277.db2.gz QNSXWDNZNXMBEL-APWZRJJASA-N 1 3 387.528 0.853 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659739522 1188018187 /nfs/dbraw/zinc/01/81/87/1188018187.db2.gz WQEMTJQWHLPCOV-PKOBYXMFSA-N 1 3 392.544 0.594 20 0 GCADHO CN(CCCN(C)CC(=O)N1CCC(C(=O)N2CCCC2)CC1)CC[NH+](C)C ZINC000377601697 1188084326 /nfs/dbraw/zinc/08/43/26/1188084326.db2.gz APEROOSWFVXXPI-UHFFFAOYSA-N 1 3 395.592 0.663 20 0 GCADHO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000415536562 1188101977 /nfs/dbraw/zinc/10/19/77/1188101977.db2.gz YMUDKVIERKEIAV-UHFFFAOYSA-N 1 3 375.517 0.878 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC000415582875 1188112881 /nfs/dbraw/zinc/11/28/81/1188112881.db2.gz VDDICZBAZBYIHJ-AEFFLSMTSA-N 1 3 387.528 0.958 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)c2)CC1 ZINC000415586152 1188113164 /nfs/dbraw/zinc/11/31/64/1188113164.db2.gz BBBSAOAWMMOEIO-OAQYLSRUSA-N 1 3 385.512 0.979 20 0 GCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)c(C)c2)CC1 ZINC000415607906 1188123107 /nfs/dbraw/zinc/12/31/07/1188123107.db2.gz RLASHBFZXMDZTO-QGZVFWFLSA-N 1 3 389.500 0.262 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415751285 1188155751 /nfs/dbraw/zinc/15/57/51/1188155751.db2.gz VXIICMCCAQBOPC-IAGOWNOFSA-N 1 3 385.512 0.835 20 0 GCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000472905953 1189372996 /nfs/dbraw/zinc/37/29/96/1189372996.db2.gz JKMSKVRLZLPATC-QGZVFWFLSA-N 1 3 396.580 0.254 20 0 GCADHO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C[C@@H]1C[NH3+] ZINC000415845950 1189379280 /nfs/dbraw/zinc/37/92/80/1189379280.db2.gz KIUZIWXCIGOONP-GJZGRUSLSA-N 1 3 389.500 0.936 20 0 GCADHO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000415873920 1189391786 /nfs/dbraw/zinc/39/17/86/1189391786.db2.gz ZOQBXLSNUHOFCS-QGZVFWFLSA-N 1 3 378.473 0.450 20 0 GCADHO CCN(CC)CC(=O)N1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000511597221 1189607200 /nfs/dbraw/zinc/60/72/00/1189607200.db2.gz NYCCIKJPUXHOQB-UHFFFAOYSA-N 1 3 381.565 0.461 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417435350 1189662071 /nfs/dbraw/zinc/66/20/71/1189662071.db2.gz YGDSPIUZKNUFKU-SQNIBIBYSA-N 1 3 379.549 0.960 20 0 GCADHO COCCN(C)CCOc1cccc(CNC(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000417462722 1189668759 /nfs/dbraw/zinc/66/87/59/1189668759.db2.gz YERQAJXQDHYIAV-SFHVURJKSA-N 1 3 380.489 0.513 20 0 GCADHO C[NH+](C)CCOc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000584793042 1189669287 /nfs/dbraw/zinc/66/92/87/1189669287.db2.gz GMMKLCCADFEAMQ-NVXWUHKLSA-N 1 3 375.473 0.080 20 0 GCADHO CN1CCN(CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1(C)C ZINC000418168639 1189730266 /nfs/dbraw/zinc/73/02/66/1189730266.db2.gz LQWABXGPGVFSRR-INIZCTEOSA-N 1 3 382.553 0.042 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H]4NC(=O)CC[C@H]4C3)CC2)CC1 ZINC000660573187 1189907546 /nfs/dbraw/zinc/90/75/46/1189907546.db2.gz GUQMZDKMPGIJMX-YJBOKZPZSA-N 1 3 377.533 0.855 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660852698 1189957569 /nfs/dbraw/zinc/95/75/69/1189957569.db2.gz FVALSLIGIHJREH-ZWKOTPCHSA-N 1 3 395.548 0.482 20 0 GCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000661232739 1190019809 /nfs/dbraw/zinc/01/98/09/1190019809.db2.gz OLPXUCSTMOUVDE-QRVBRYPASA-N 1 3 391.560 0.310 20 0 GCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000661232739 1190019814 /nfs/dbraw/zinc/01/98/14/1190019814.db2.gz OLPXUCSTMOUVDE-QRVBRYPASA-N 1 3 391.560 0.310 20 0 GCADHO C[C@@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@@H+]1CCCC[C@H]1C ZINC000512665129 1193729401 /nfs/dbraw/zinc/72/94/01/1193729401.db2.gz DQSSIXKYNKTWTE-MOPGFXCFSA-N 1 3 383.581 0.939 20 0 GCADHO C[C@@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@H+]1CCCC[C@H]1C ZINC000512665129 1193729407 /nfs/dbraw/zinc/72/94/07/1193729407.db2.gz DQSSIXKYNKTWTE-MOPGFXCFSA-N 1 3 383.581 0.939 20 0 GCADHO CN(C)Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000433088404 1193747055 /nfs/dbraw/zinc/74/70/55/1193747055.db2.gz MBTUFHRVRSNVDI-INIZCTEOSA-N 1 3 382.530 0.614 20 0 GCADHO CN(C)Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000433088404 1193747057 /nfs/dbraw/zinc/74/70/57/1193747057.db2.gz MBTUFHRVRSNVDI-INIZCTEOSA-N 1 3 382.530 0.614 20 0 GCADHO C[C@@H]1C[N@H+](CCCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000433324807 1193807552 /nfs/dbraw/zinc/80/75/52/1193807552.db2.gz CPRJCXMATSXKQZ-MSOLQXFVSA-N 1 3 397.564 0.729 20 0 GCADHO C[C@@H]1C[N@@H+](CCCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000433324807 1193807555 /nfs/dbraw/zinc/80/75/55/1193807555.db2.gz CPRJCXMATSXKQZ-MSOLQXFVSA-N 1 3 397.564 0.729 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000419329971 1193822015 /nfs/dbraw/zinc/82/20/15/1193822015.db2.gz FQOSCAMFSLTIQY-LJQANCHMSA-N 1 3 387.528 0.261 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000419330641 1193823046 /nfs/dbraw/zinc/82/30/46/1193823046.db2.gz GNHFOLNHQMIXSR-LJQANCHMSA-N 1 3 389.544 0.540 20 0 GCADHO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000247875392 1193825960 /nfs/dbraw/zinc/82/59/60/1193825960.db2.gz YLJIQUUHKFXQLX-YRXWBPOGSA-N 1 3 381.565 0.906 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000419336450 1193830113 /nfs/dbraw/zinc/83/01/13/1193830113.db2.gz KKKJJWNTQXDWAG-LJQANCHMSA-N 1 3 387.528 0.390 20 0 GCADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)Cc1ccccc1 ZINC000419336842 1193832049 /nfs/dbraw/zinc/83/20/49/1193832049.db2.gz AWBZOBGKRYPSDY-ROUUACIJSA-N 1 3 376.501 0.160 20 0 GCADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)Cc1ccccc1 ZINC000419336844 1193832312 /nfs/dbraw/zinc/83/23/12/1193832312.db2.gz AWBZOBGKRYPSDY-ZWKOTPCHSA-N 1 3 376.501 0.160 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCC3=CC[NH2+]CC3)cc2)CC1 ZINC000419342735 1193834703 /nfs/dbraw/zinc/83/47/03/1193834703.db2.gz QBSQVSGAUWQCJE-UHFFFAOYSA-N 1 3 399.539 0.476 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2)CC1 ZINC000419343633 1193836090 /nfs/dbraw/zinc/83/60/90/1193836090.db2.gz QWCDHDOBXSKXJF-VQIMIIECSA-N 1 3 387.528 0.246 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)cc2)CC1 ZINC000419341657 1193836179 /nfs/dbraw/zinc/83/61/79/1193836179.db2.gz OMWBPDYNUUYCQS-IBGZPJMESA-N 1 3 387.528 0.294 20 0 GCADHO C[C@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCO1 ZINC000433462832 1193866123 /nfs/dbraw/zinc/86/61/23/1193866123.db2.gz LZYPFSBOSDXERZ-SFHVURJKSA-N 1 3 395.548 0.437 20 0 GCADHO C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCO1 ZINC000433462832 1193866126 /nfs/dbraw/zinc/86/61/26/1193866126.db2.gz LZYPFSBOSDXERZ-SFHVURJKSA-N 1 3 395.548 0.437 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419372398 1193875716 /nfs/dbraw/zinc/87/57/16/1193875716.db2.gz KPHSLTFPQSAZCF-ZWKOTPCHSA-N 1 3 388.512 0.167 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000419420616 1194023271 /nfs/dbraw/zinc/02/32/71/1194023271.db2.gz NQWURSRJEXQCFD-UHFFFAOYSA-N 1 3 399.539 0.346 20 0 GCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419421268 1194024469 /nfs/dbraw/zinc/02/44/69/1194024469.db2.gz OKEZDKDZGHJZAZ-IBGZPJMESA-N 1 3 389.544 0.410 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NCC2=CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000419421275 1194024545 /nfs/dbraw/zinc/02/45/45/1194024545.db2.gz OLMLGLGICWAAOD-HXUWFJFHSA-N 1 3 399.539 0.517 20 0 GCADHO C[C@H](Cn1cccn1)NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419424403 1194025591 /nfs/dbraw/zinc/02/55/91/1194025591.db2.gz NXYKGVSVWBNGNZ-QGZVFWFLSA-N 1 3 398.511 0.498 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419427179 1194027177 /nfs/dbraw/zinc/02/71/77/1194027177.db2.gz YTUZSNOGOCLUBF-RTBURBONSA-N 1 3 387.528 0.335 20 0 GCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419427144 1194027724 /nfs/dbraw/zinc/02/77/24/1194027724.db2.gz YOICSTYSWLJREV-WMZOPIPTSA-N 1 3 375.517 0.192 20 0 GCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419413803 1194030429 /nfs/dbraw/zinc/03/04/29/1194030429.db2.gz FYXCRHGRXFJXEK-IEBWSBKVSA-N 1 3 389.544 0.596 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N(C)CC[NH3+])CC2)c1 ZINC000419513708 1194051058 /nfs/dbraw/zinc/05/10/58/1194051058.db2.gz MRUFBWIONUTEMX-UHFFFAOYSA-N 1 3 375.517 0.431 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419522749 1194053961 /nfs/dbraw/zinc/05/39/61/1194053961.db2.gz NJRKIIDYZCBVQX-DLBZAZTESA-N 1 3 395.548 0.069 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCSC1 ZINC000419587681 1194066188 /nfs/dbraw/zinc/06/61/88/1194066188.db2.gz QCPGJZAMKKZDRG-IBGZPJMESA-N 1 3 378.542 0.918 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419594717 1194067209 /nfs/dbraw/zinc/06/72/09/1194067209.db2.gz UYPWPQDQIQHJJZ-KSZLIROESA-N 1 3 380.533 0.722 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419665491 1194078355 /nfs/dbraw/zinc/07/83/55/1194078355.db2.gz ORTWUAAXLHOOJX-WMLDXEAASA-N 1 3 389.500 0.643 20 0 GCADHO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N1CCNCC1 ZINC000419673124 1194079222 /nfs/dbraw/zinc/07/92/22/1194079222.db2.gz BOIDCPFHBZNXEY-UHFFFAOYSA-N 1 3 387.528 0.132 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000419725637 1194088439 /nfs/dbraw/zinc/08/84/39/1194088439.db2.gz SQQJGPYXHXUDKB-QAPCUYQASA-N 1 3 388.512 0.996 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000419748164 1194095879 /nfs/dbraw/zinc/09/58/79/1194095879.db2.gz FMJZHHSKGPBXEO-XIRDDKMYSA-N 1 3 380.533 0.578 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419749453 1194096140 /nfs/dbraw/zinc/09/61/40/1194096140.db2.gz GVMJNEZZNWBMIB-INIZCTEOSA-N 1 3 382.549 0.886 20 0 GCADHO CC[NH2+]CC1CCN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)CC1 ZINC000419750801 1194096717 /nfs/dbraw/zinc/09/67/17/1194096717.db2.gz JBGBDXNFTCRUIO-UHFFFAOYSA-N 1 3 382.549 0.840 20 0 GCADHO C[NH2+]CCC1CCN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)CC1 ZINC000419755928 1194097656 /nfs/dbraw/zinc/09/76/56/1194097656.db2.gz RHTQZCCTHGVUPA-UHFFFAOYSA-N 1 3 382.549 0.840 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419754492 1194097853 /nfs/dbraw/zinc/09/78/53/1194097853.db2.gz OYVPBIDGJIDGPR-KRWDZBQOSA-N 1 3 376.501 0.808 20 0 GCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419769216 1194102138 /nfs/dbraw/zinc/10/21/38/1194102138.db2.gz DKRUXIHZMBPPGG-JKSUJKDBSA-N 1 3 395.548 0.069 20 0 GCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419824208 1194110473 /nfs/dbraw/zinc/11/04/73/1194110473.db2.gz MMAXPRCTAADPCP-SJORKVTESA-N 1 3 381.565 0.271 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419838543 1194118268 /nfs/dbraw/zinc/11/82/68/1194118268.db2.gz GAEUDPCQHSWGMF-SOLBZPMBSA-N 1 3 380.533 0.593 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000419857407 1194123198 /nfs/dbraw/zinc/12/31/98/1194123198.db2.gz KEMDQCZEBVDWOB-KRWDZBQOSA-N 1 3 376.501 0.701 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC2CCC([NH3+])CC2)c1 ZINC000419862612 1194125119 /nfs/dbraw/zinc/12/51/19/1194125119.db2.gz DCIGDXBNMMMXIL-UHFFFAOYSA-N 1 3 376.501 0.972 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419901769 1194137267 /nfs/dbraw/zinc/13/72/67/1194137267.db2.gz UPVAHPMYZAVJQC-NUJGCVRESA-N 1 3 380.533 0.593 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000419914290 1194138054 /nfs/dbraw/zinc/13/80/54/1194138054.db2.gz BQPNAIUUMXYLSI-QFBILLFUSA-N 1 3 387.528 0.430 20 0 GCADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419970529 1194149686 /nfs/dbraw/zinc/14/96/86/1194149686.db2.gz VCPAGQPOFIYJKN-MRXNPFEDSA-N 1 3 389.500 0.763 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419971807 1194150049 /nfs/dbraw/zinc/15/00/49/1194150049.db2.gz XJMDYQBFBJERSH-QGZVFWFLSA-N 1 3 395.548 0.023 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419995090 1194154527 /nfs/dbraw/zinc/15/45/27/1194154527.db2.gz HSAOJBCPZJIZCJ-LMMKCTJWSA-N 1 3 394.560 0.983 20 0 GCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000419998639 1194154967 /nfs/dbraw/zinc/15/49/67/1194154967.db2.gz NGOXPPZBSIRADA-IBGZPJMESA-N 1 3 389.544 0.362 20 0 GCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000419998640 1194155100 /nfs/dbraw/zinc/15/51/00/1194155100.db2.gz NGOXPPZBSIRADA-LJQANCHMSA-N 1 3 389.544 0.362 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000420019080 1194162804 /nfs/dbraw/zinc/16/28/04/1194162804.db2.gz QPVWRUKVLPBGCT-ZAWLATJESA-N 1 3 394.560 0.968 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420049112 1194169672 /nfs/dbraw/zinc/16/96/72/1194169672.db2.gz YCZHXAWXZZDNQO-WBVHZDCISA-N 1 3 396.532 0.319 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000420111447 1194181488 /nfs/dbraw/zinc/18/14/88/1194181488.db2.gz WUAURXQPYVYLRP-FVJLSDCUSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC3(C)CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000420093607 1194183703 /nfs/dbraw/zinc/18/37/03/1194183703.db2.gz WYXFNXUIYLTRDR-CALCHBBNSA-N 1 3 394.560 0.840 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000420183230 1194197788 /nfs/dbraw/zinc/19/77/88/1194197788.db2.gz GNNIDGUUWGHGPF-NVXWUHKLSA-N 1 3 376.501 0.829 20 0 GCADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420174612 1194201273 /nfs/dbraw/zinc/20/12/73/1194201273.db2.gz YVBKLUXURNIDCG-KRWDZBQOSA-N 1 3 389.500 0.633 20 0 GCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000420203898 1194204965 /nfs/dbraw/zinc/20/49/65/1194204965.db2.gz LLWYFULBJBURKR-BRWVUGGUSA-N 1 3 376.501 0.983 20 0 GCADHO CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)[NH2+][C@H](C)c1ccccc1 ZINC000420187773 1194206548 /nfs/dbraw/zinc/20/65/48/1194206548.db2.gz BXYSYRYXAGWCJH-BHIYHBOVSA-N 1 3 390.528 0.973 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420190204 1194207322 /nfs/dbraw/zinc/20/73/22/1194207322.db2.gz PBQRBARHKYSAIF-QGZVFWFLSA-N 1 3 380.464 0.211 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501624370 1194210475 /nfs/dbraw/zinc/21/04/75/1194210475.db2.gz NSCIUXJPHZHAPA-RTBURBONSA-N 1 3 394.560 0.936 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501624370 1194210478 /nfs/dbraw/zinc/21/04/78/1194210478.db2.gz NSCIUXJPHZHAPA-RTBURBONSA-N 1 3 394.560 0.936 20 0 GCADHO C[C@H]1COCCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420206791 1194210933 /nfs/dbraw/zinc/21/09/33/1194210933.db2.gz PRJJRXURKPGAMD-QGZVFWFLSA-N 1 3 388.512 0.591 20 0 GCADHO COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422101227 1194385113 /nfs/dbraw/zinc/38/51/13/1194385113.db2.gz FHRRPXZTXDOUKP-GOSISDBHSA-N 1 3 398.548 0.125 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CCN1C1CC[NH+](C)CC1 ZINC000422103441 1194385831 /nfs/dbraw/zinc/38/58/31/1194385831.db2.gz GSESGRVOQJQIQU-SJLPKXTDSA-N 1 3 379.549 0.166 20 0 GCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422136090 1194397789 /nfs/dbraw/zinc/39/77/89/1194397789.db2.gz KQHWUNXSEJYWTF-GUDVDZBRSA-N 1 3 393.576 0.556 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652728583 1194442467 /nfs/dbraw/zinc/44/24/67/1194442467.db2.gz QZXAGFAVHAEJPN-KSZLIROESA-N 1 3 380.533 0.674 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422296752 1194607072 /nfs/dbraw/zinc/60/70/72/1194607072.db2.gz HTOQCPUSSRSDCC-MRXNPFEDSA-N 1 3 382.549 0.933 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422296752 1194607076 /nfs/dbraw/zinc/60/70/76/1194607076.db2.gz HTOQCPUSSRSDCC-MRXNPFEDSA-N 1 3 382.549 0.933 20 0 GCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000422395135 1194635389 /nfs/dbraw/zinc/63/53/89/1194635389.db2.gz IMJCEHHRFYZKGQ-OTWHNJEPSA-N 1 3 394.560 0.812 20 0 GCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000414695815 1194701791 /nfs/dbraw/zinc/70/17/91/1194701791.db2.gz FKKNRKQURSILSV-HXUWFJFHSA-N 1 3 396.491 0.880 20 0 GCADHO CCOc1ccnc(N2CCC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)n1 ZINC000414711334 1194717064 /nfs/dbraw/zinc/71/70/64/1194717064.db2.gz RFXHUDQNYBUOEK-INIZCTEOSA-N 1 3 376.505 0.585 20 0 GCADHO CCOc1ccnc(N2CCC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)n1 ZINC000414711334 1194717066 /nfs/dbraw/zinc/71/70/66/1194717066.db2.gz RFXHUDQNYBUOEK-INIZCTEOSA-N 1 3 376.505 0.585 20 0 GCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423163786 1194734582 /nfs/dbraw/zinc/73/45/82/1194734582.db2.gz NJAKHHFCKBOTBN-ZWKOTPCHSA-N 1 3 389.500 0.081 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423205827 1194736644 /nfs/dbraw/zinc/73/66/44/1194736644.db2.gz PRSJXMXVUHEJRD-ZBFHGGJFSA-N 1 3 394.466 0.923 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423209760 1194736917 /nfs/dbraw/zinc/73/69/17/1194736917.db2.gz VMXGCJWBOWPRQR-QGZVFWFLSA-N 1 3 380.464 0.292 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423199492 1194738531 /nfs/dbraw/zinc/73/85/31/1194738531.db2.gz BQSKUSJOTZZGHZ-GASCZTMLSA-N 1 3 380.439 0.533 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423199490 1194738679 /nfs/dbraw/zinc/73/86/79/1194738679.db2.gz BQNPDQKVJUJDCY-HZPDHXFCSA-N 1 3 394.466 0.923 20 0 GCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423201533 1194738887 /nfs/dbraw/zinc/73/88/87/1194738887.db2.gz ITKMPYAWLLICJG-QGZVFWFLSA-N 1 3 396.919 0.806 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423199944 1194738993 /nfs/dbraw/zinc/73/89/93/1194738993.db2.gz CYTKSHHGEILYGS-WMZOPIPTSA-N 1 3 376.476 0.926 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423205393 1194739244 /nfs/dbraw/zinc/73/92/44/1194739244.db2.gz POPFKOGFERCUSI-CVEARBPZSA-N 1 3 394.466 0.923 20 0 GCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423371449 1194752079 /nfs/dbraw/zinc/75/20/79/1194752079.db2.gz QMPUFEMLBPQPDT-MRXNPFEDSA-N 1 3 392.500 0.384 20 0 GCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)C(C)C ZINC000423418919 1194753986 /nfs/dbraw/zinc/75/39/86/1194753986.db2.gz VGNZOLVERYVQDQ-KRWDZBQOSA-N 1 3 393.536 0.478 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423480314 1194759277 /nfs/dbraw/zinc/75/92/77/1194759277.db2.gz PGNTYOJYZIOMFB-ROUUACIJSA-N 1 3 388.512 0.653 20 0 GCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423505655 1194759893 /nfs/dbraw/zinc/75/98/93/1194759893.db2.gz OQMCCCMQTCLYRD-SCTDSRPQSA-N 1 3 394.560 0.792 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000423484066 1194760517 /nfs/dbraw/zinc/76/05/17/1194760517.db2.gz TTYLJYREPYIOCH-IEBWSBKVSA-N 1 3 388.512 0.796 20 0 GCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423595485 1194774773 /nfs/dbraw/zinc/77/47/73/1194774773.db2.gz PXBCCYUVFPUSJS-ZIFCJYIRSA-N 1 3 394.560 0.935 20 0 GCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423622296 1194777888 /nfs/dbraw/zinc/77/78/88/1194777888.db2.gz YUEXKHCNVURXBP-SOLBZPMBSA-N 1 3 380.533 0.545 20 0 GCADHO CCCN(C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000423660702 1194781015 /nfs/dbraw/zinc/78/10/15/1194781015.db2.gz KSHHCWACXZDUMA-SCTDSRPQSA-N 1 3 394.560 0.935 20 0 GCADHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000424332527 1194808573 /nfs/dbraw/zinc/80/85/73/1194808573.db2.gz KVEUKQOJOJRUEA-QZTJIDSGSA-N 1 3 383.514 0.946 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424530966 1194819468 /nfs/dbraw/zinc/81/94/68/1194819468.db2.gz WFNOIYKSIHDZAG-INIZCTEOSA-N 1 3 394.560 0.983 20 0 GCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424518238 1194821214 /nfs/dbraw/zinc/82/12/14/1194821214.db2.gz HOKWXSWDBYTMJA-QZTJIDSGSA-N 1 3 393.576 0.367 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414807187 1194828221 /nfs/dbraw/zinc/82/82/21/1194828221.db2.gz IPXYEVPIKKVFJF-OAHLLOKOSA-N 1 3 389.500 0.657 20 0 GCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000514886527 1194925262 /nfs/dbraw/zinc/92/52/62/1194925262.db2.gz DRNJGTDGXNMSLG-NEPXVJNWSA-N 1 3 391.560 0.070 20 0 GCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000514886526 1194925496 /nfs/dbraw/zinc/92/54/96/1194925496.db2.gz DRNJGTDGXNMSLG-KCITZHQASA-N 1 3 391.560 0.070 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CCN1C1CC[NH+](C)CC1 ZINC000425378298 1194931059 /nfs/dbraw/zinc/93/10/59/1194931059.db2.gz BXGVKCZJJYWTLV-JENIJYKNSA-N 1 3 391.560 0.166 20 0 GCADHO CCN1CCC([NH+]2CCC(C(=O)NCCCN3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000515310909 1194967815 /nfs/dbraw/zinc/96/78/15/1194967815.db2.gz ZHBLEQYDNPGPLD-LJQANCHMSA-N 1 3 393.576 0.639 20 0 GCADHO CN1CCN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000515405845 1194972872 /nfs/dbraw/zinc/97/28/72/1194972872.db2.gz JXALMEJLJVPTCZ-FQEVSTJZSA-N 1 3 388.560 0.873 20 0 GCADHO NC(=O)c1ccc(NC(=O)CCN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436052217 1194982080 /nfs/dbraw/zinc/98/20/80/1194982080.db2.gz CHCKTTLWNXPTOT-MRXNPFEDSA-N 1 3 375.473 0.434 20 0 GCADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000517395883 1195178477 /nfs/dbraw/zinc/17/84/77/1195178477.db2.gz UCMNRMUIXFLEOX-PMACEKPBSA-N 1 3 399.539 0.273 20 0 GCADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000426162971 1195252957 /nfs/dbraw/zinc/25/29/57/1195252957.db2.gz UMFKWWWIUMXEJV-SFHVURJKSA-N 1 3 381.565 0.273 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000439209399 1195294886 /nfs/dbraw/zinc/29/48/86/1195294886.db2.gz JTIOOFFSNAKQKE-KRWDZBQOSA-N 1 3 391.516 0.507 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000439209399 1195294890 /nfs/dbraw/zinc/29/48/90/1195294890.db2.gz JTIOOFFSNAKQKE-KRWDZBQOSA-N 1 3 391.516 0.507 20 0 GCADHO CN1CCC[C@H]1CNC(=O)C1(CC(=O)NC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC000426434372 1195335299 /nfs/dbraw/zinc/33/52/99/1195335299.db2.gz YEYOOPHIGMTGQN-IRXDYDNUSA-N 1 3 380.533 0.594 20 0 GCADHO CN1CCC[C@H]1CNC(=O)C1(CC(=O)NC[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC000426434372 1195335303 /nfs/dbraw/zinc/33/53/03/1195335303.db2.gz YEYOOPHIGMTGQN-IRXDYDNUSA-N 1 3 380.533 0.594 20 0 GCADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000550129077 1195444343 /nfs/dbraw/zinc/44/43/43/1195444343.db2.gz DAYULRJARBRLQV-QGZVFWFLSA-N 1 3 381.565 0.367 20 0 GCADHO C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)CN1CCN(C)CC1 ZINC000121415017 1195459285 /nfs/dbraw/zinc/45/92/85/1195459285.db2.gz QQVWILKRMYZLNO-RLLQIKCJSA-N 1 3 395.592 0.937 20 0 GCADHO CC(C)[C@H](CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)N1CCN(C)CC1 ZINC000473873180 1195553669 /nfs/dbraw/zinc/55/36/69/1195553669.db2.gz FYBZIMCAFYNIBB-SFHVURJKSA-N 1 3 383.581 0.793 20 0 GCADHO CC(C)Nc1nc(NC[C@@H](c2ccccc2Cl)N(C)C)nc(NCCO)[nH+]1 ZINC000550334616 1195635755 /nfs/dbraw/zinc/63/57/55/1195635755.db2.gz RKXUPBNIMPVOKP-HNNXBMFYSA-N 1 3 393.923 0.730 20 0 GCADHO CC(C)Nc1nc(NCCO)nc(NC[C@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC000550345598 1195639193 /nfs/dbraw/zinc/63/91/93/1195639193.db2.gz GXIXHPXLSNCUAM-OAHLLOKOSA-N 1 3 389.504 0.594 20 0 GCADHO COCCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000550364580 1195645078 /nfs/dbraw/zinc/64/50/78/1195645078.db2.gz GLZUYKFBRMTWDQ-UHFFFAOYSA-N 1 3 382.549 0.984 20 0 GCADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C(C)C)N1CC[NH+](C)CC1 ZINC000550383747 1195651576 /nfs/dbraw/zinc/65/15/76/1195651576.db2.gz RYWHLHVYUJIJQI-QZTJIDSGSA-N 1 3 381.565 0.173 20 0 GCADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCCCCN2CCN(C)CC2)([NH+](C)C)C1 ZINC000520620630 1195804137 /nfs/dbraw/zinc/80/41/37/1195804137.db2.gz IIGBTZZDFJONRZ-WIYYLYMNSA-N 1 3 395.592 0.757 20 0 GCADHO COCCN1CCC(NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000520979683 1195948779 /nfs/dbraw/zinc/94/87/79/1195948779.db2.gz IDFPJFXSFWWTSR-UHFFFAOYSA-N 1 3 383.537 0.339 20 0 GCADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000522014945 1196034309 /nfs/dbraw/zinc/03/43/09/1196034309.db2.gz RTIORQQKDLOORW-DLBZAZTESA-N 1 3 387.484 0.237 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000114602845 1196106211 /nfs/dbraw/zinc/10/62/11/1196106211.db2.gz TXLPKPGLXXEEDH-UHFFFAOYSA-N 1 3 395.592 0.894 20 0 GCADHO CC(C)C[NH+]1CCC(NC(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000114585512 1196106410 /nfs/dbraw/zinc/10/64/10/1196106410.db2.gz KRXNBXHUXBEHEY-UHFFFAOYSA-N 1 3 383.581 0.796 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000114602998 1196106461 /nfs/dbraw/zinc/10/64/61/1196106461.db2.gz DUKCZBJJTXIUNT-SFHVURJKSA-N 1 3 381.565 0.693 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000114602998 1196106464 /nfs/dbraw/zinc/10/64/64/1196106464.db2.gz DUKCZBJJTXIUNT-SFHVURJKSA-N 1 3 381.565 0.693 20 0 GCADHO C[N@H+](CCCN1CCCC1)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000281296476 1196288283 /nfs/dbraw/zinc/28/82/83/1196288283.db2.gz JPJDNOQXMXTZNS-UHFFFAOYSA-N 1 3 396.557 0.801 20 0 GCADHO C[N@@H+](CCCN1CCCC1)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000281296476 1196288285 /nfs/dbraw/zinc/28/82/85/1196288285.db2.gz JPJDNOQXMXTZNS-UHFFFAOYSA-N 1 3 396.557 0.801 20 0 GCADHO CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152456742 1196466188 /nfs/dbraw/zinc/46/61/88/1196466188.db2.gz HYZDACNQSMANFG-KRWDZBQOSA-N 1 3 396.557 0.656 20 0 GCADHO CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152456742 1196466190 /nfs/dbraw/zinc/46/61/90/1196466190.db2.gz HYZDACNQSMANFG-KRWDZBQOSA-N 1 3 396.557 0.656 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000102050893 1196491101 /nfs/dbraw/zinc/49/11/01/1196491101.db2.gz XOBYARYQPKZCNP-GOSISDBHSA-N 1 3 388.516 0.856 20 0 GCADHO C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CC1=O ZINC000444461398 1196492636 /nfs/dbraw/zinc/49/26/36/1196492636.db2.gz SBWDZNMGSYQJBP-QGZVFWFLSA-N 1 3 388.512 0.992 20 0 GCADHO CN(C)C1(C(=O)N(C)CCN(CC[NH+]2CCCC2)C(=O)C2(N(C)C)CC2)CC1 ZINC000614806386 1196493151 /nfs/dbraw/zinc/49/31/51/1196493151.db2.gz MWDNPQJZSGFQFG-UHFFFAOYSA-N 1 3 393.576 0.558 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(CS(N)(=O)=O)c3)CC2)CC1 ZINC000523366596 1196518835 /nfs/dbraw/zinc/51/88/35/1196518835.db2.gz UACGPSBARAEXDB-UHFFFAOYSA-N 1 3 394.541 0.764 20 0 GCADHO COCCC[NH+]1CCC(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000524032115 1196573005 /nfs/dbraw/zinc/57/30/05/1196573005.db2.gz YIQZYURGEXJIDF-GOSISDBHSA-N 1 3 397.564 0.729 20 0 GCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000524419720 1196594325 /nfs/dbraw/zinc/59/43/25/1196594325.db2.gz YSFHNYOBZDMLGH-RTBURBONSA-N 1 3 387.528 0.997 20 0 GCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000524419720 1196594327 /nfs/dbraw/zinc/59/43/27/1196594327.db2.gz YSFHNYOBZDMLGH-RTBURBONSA-N 1 3 387.528 0.997 20 0 GCADHO CN(C)CCN(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000445923441 1196599749 /nfs/dbraw/zinc/59/97/49/1196599749.db2.gz BXWTVSHLWWXFAH-UHFFFAOYSA-N 1 3 389.500 0.342 20 0 GCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000446363584 1196637904 /nfs/dbraw/zinc/63/79/04/1196637904.db2.gz NIAQBLCNOLHJKR-XAUMDUMWSA-N 1 3 378.517 0.286 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446363534 1196637941 /nfs/dbraw/zinc/63/79/41/1196637941.db2.gz MXQFHPODONYAKQ-RIFZZMRRSA-N 1 3 380.533 0.532 20 0 GCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000525319500 1196672274 /nfs/dbraw/zinc/67/22/74/1196672274.db2.gz BMFXEGCYSIPTEI-UHFFFAOYSA-N 1 3 392.500 0.658 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000525882469 1196720556 /nfs/dbraw/zinc/72/05/56/1196720556.db2.gz JWWAMDMIAAYJII-UHFFFAOYSA-N 1 3 393.513 0.621 20 0 GCADHO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000447436101 1196722572 /nfs/dbraw/zinc/72/25/72/1196722572.db2.gz UDNNFAJKDGQXSK-HOTGVXAUSA-N 1 3 393.557 0.800 20 0 GCADHO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000526132182 1196744055 /nfs/dbraw/zinc/74/40/55/1196744055.db2.gz WIDZMUWXKYMYOL-UHFFFAOYSA-N 1 3 391.516 0.587 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000526132017 1196744222 /nfs/dbraw/zinc/74/42/22/1196744222.db2.gz BSSYEJJFRDUUCX-UHFFFAOYSA-N 1 3 395.479 0.418 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1OCCC2=O ZINC000526131877 1196744288 /nfs/dbraw/zinc/74/42/88/1196744288.db2.gz ILCSXIFCSAESOB-UHFFFAOYSA-N 1 3 376.457 0.542 20 0 GCADHO CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000527124232 1196767298 /nfs/dbraw/zinc/76/72/98/1196767298.db2.gz ZYLWHMOLQGKYIO-UHFFFAOYSA-N 1 3 377.489 0.844 20 0 GCADHO CC(=O)Nc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000527124214 1196767378 /nfs/dbraw/zinc/76/73/78/1196767378.db2.gz NNJFPWFVHXWEQW-UHFFFAOYSA-N 1 3 377.489 0.844 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000527124388 1196767459 /nfs/dbraw/zinc/76/74/59/1196767459.db2.gz JOVRZKWQCQRPCI-UHFFFAOYSA-N 1 3 377.489 0.279 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000527123915 1196767473 /nfs/dbraw/zinc/76/74/73/1196767473.db2.gz CTTFQYWVBOVVMP-UHFFFAOYSA-N 1 3 377.489 0.279 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000527124071 1196767512 /nfs/dbraw/zinc/76/75/12/1196767512.db2.gz TWHRMEJNCIWPRZ-UHFFFAOYSA-N 1 3 389.500 0.469 20 0 GCADHO COC(=O)c1c(F)cccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527374233 1196784273 /nfs/dbraw/zinc/78/42/73/1196784273.db2.gz KVDPZEIAPCRCAP-UHFFFAOYSA-N 1 3 382.436 0.503 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000151462342 1197296971 /nfs/dbraw/zinc/29/69/71/1197296971.db2.gz RQOQBOBGGRZMGU-MRXNPFEDSA-N 1 3 377.493 0.215 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN(c4ncccn4)CC3)CC2)CC1 ZINC000051758381 1197383466 /nfs/dbraw/zinc/38/34/66/1197383466.db2.gz XUNALEITDRWJBR-UHFFFAOYSA-N 1 3 387.532 0.867 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000141481437 1197396175 /nfs/dbraw/zinc/39/61/75/1197396175.db2.gz WQIPHCWLYFOQOD-AEFFLSMTSA-N 1 3 377.533 0.951 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000141481437 1197396178 /nfs/dbraw/zinc/39/61/78/1197396178.db2.gz WQIPHCWLYFOQOD-AEFFLSMTSA-N 1 3 377.533 0.951 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCCN3C(=O)CNC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001088579410 1197398082 /nfs/dbraw/zinc/39/80/82/1197398082.db2.gz FXWFIGVXJSXICH-FXUDXRNXSA-N 1 3 379.505 0.238 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCCN3C(=O)CNC3=O)[C@@H]2C)CC[N@H+]1C ZINC001088579410 1197398086 /nfs/dbraw/zinc/39/80/86/1197398086.db2.gz FXWFIGVXJSXICH-FXUDXRNXSA-N 1 3 379.505 0.238 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCCC[NH2+]C)cc2)CC1 ZINC000419350125 1197417714 /nfs/dbraw/zinc/41/77/14/1197417714.db2.gz ZCCHOEWAELBBKN-UHFFFAOYSA-N 1 3 375.517 0.166 20 0 GCADHO COCCN1CC[C@@H](NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000533223740 1197439463 /nfs/dbraw/zinc/43/94/63/1197439463.db2.gz MHFKCIRASWAFJO-GOSISDBHSA-N 1 3 381.565 0.907 20 0 GCADHO C[C@H](O)CN1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@@H](C)C1 ZINC000249208634 1197481256 /nfs/dbraw/zinc/48/12/56/1197481256.db2.gz CGVLVDILXDMDGF-OALUTQOASA-N 1 3 396.576 0.525 20 0 GCADHO C[C@H](O)C[N@@H+]1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@@H](C)C1 ZINC000249208634 1197481257 /nfs/dbraw/zinc/48/12/57/1197481257.db2.gz CGVLVDILXDMDGF-OALUTQOASA-N 1 3 396.576 0.525 20 0 GCADHO C[C@H](O)C[N@H+]1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@@H](C)C1 ZINC000249208634 1197481260 /nfs/dbraw/zinc/48/12/60/1197481260.db2.gz CGVLVDILXDMDGF-OALUTQOASA-N 1 3 396.576 0.525 20 0 GCADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261750564 1197513681 /nfs/dbraw/zinc/51/36/81/1197513681.db2.gz DUKXNIDZNHWDJY-HNNXBMFYSA-N 1 3 392.466 0.974 20 0 GCADHO CCN1CCN(CCC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261873045 1197517128 /nfs/dbraw/zinc/51/71/28/1197517128.db2.gz OICYGGKGUZHAQH-ZWKOTPCHSA-N 1 3 379.549 0.121 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643487663 1197533086 /nfs/dbraw/zinc/53/30/86/1197533086.db2.gz XRACCEYRIYKCCE-CRAIPNDOSA-N 1 3 376.476 0.926 20 0 GCADHO COc1cccc2c1OC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C2 ZINC000672268988 1199181179 /nfs/dbraw/zinc/18/11/79/1199181179.db2.gz KEYHFASVLCCLMM-MRXNPFEDSA-N 1 3 392.500 0.067 20 0 GCADHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000465926064 1199184176 /nfs/dbraw/zinc/18/41/76/1199184176.db2.gz HFSBOLYQNNQZFL-RBUKOAKNSA-N 1 3 381.565 0.645 20 0 GCADHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000465926064 1199184178 /nfs/dbraw/zinc/18/41/78/1199184178.db2.gz HFSBOLYQNNQZFL-RBUKOAKNSA-N 1 3 381.565 0.645 20 0 GCADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000672305717 1199198262 /nfs/dbraw/zinc/19/82/62/1199198262.db2.gz APXLLSMANHWFOS-IPMKNSEASA-N 1 3 392.544 0.471 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672310567 1199203195 /nfs/dbraw/zinc/20/31/95/1199203195.db2.gz ZHVTYUQJTYUYEK-MRXNPFEDSA-N 1 3 380.533 0.593 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672310567 1199203198 /nfs/dbraw/zinc/20/31/98/1199203198.db2.gz ZHVTYUQJTYUYEK-MRXNPFEDSA-N 1 3 380.533 0.593 20 0 GCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672311569 1199205187 /nfs/dbraw/zinc/20/51/87/1199205187.db2.gz JDGFXQXDHXRFQK-ZWKOTPCHSA-N 1 3 380.533 0.546 20 0 GCADHO CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639894 1199296394 /nfs/dbraw/zinc/29/63/94/1199296394.db2.gz OKABFGUZOOYNJD-SJLPKXTDSA-N 1 3 379.549 0.070 20 0 GCADHO CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639894 1199296397 /nfs/dbraw/zinc/29/63/97/1199296397.db2.gz OKABFGUZOOYNJD-SJLPKXTDSA-N 1 3 379.549 0.070 20 0 GCADHO CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1C ZINC000672641855 1199304209 /nfs/dbraw/zinc/30/42/09/1199304209.db2.gz YLWKPCNGBDKDNJ-AEFFLSMTSA-N 1 3 379.549 0.070 20 0 GCADHO CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1C ZINC000672641855 1199304212 /nfs/dbraw/zinc/30/42/12/1199304212.db2.gz YLWKPCNGBDKDNJ-AEFFLSMTSA-N 1 3 379.549 0.070 20 0 GCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672655524 1199309973 /nfs/dbraw/zinc/30/99/73/1199309973.db2.gz AMHZSXZLHLACHS-RTBURBONSA-N 1 3 393.576 0.606 20 0 GCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672655524 1199309979 /nfs/dbraw/zinc/30/99/79/1199309979.db2.gz AMHZSXZLHLACHS-RTBURBONSA-N 1 3 393.576 0.606 20 0 GCADHO Cn1cc(N2C[C@@H](C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2=O)cn1 ZINC000624938420 1199843084 /nfs/dbraw/zinc/84/30/84/1199843084.db2.gz YVXJSAOZBJAGBH-HNNXBMFYSA-N 1 3 388.516 0.448 20 0 GCADHO [NH3+]CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000923488950 1201042955 /nfs/dbraw/zinc/04/29/55/1201042955.db2.gz CGFNCCCSQPAWCS-INIZCTEOSA-N 1 3 380.514 0.190 20 0 GCADHO COC(=O)C1CCN(C(=O)CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000611181162 1201221009 /nfs/dbraw/zinc/22/10/09/1201221009.db2.gz RRSRGIFAXUPXAZ-UHFFFAOYSA-N 1 3 394.560 0.888 20 0 GCADHO C[NH+]1CCN(CCOc2ccc(NC(=O)CCN3CCOCC3)cc2)CC1 ZINC000742898063 1201810428 /nfs/dbraw/zinc/81/04/28/1201810428.db2.gz SICOYWOLBKWCBB-UHFFFAOYSA-N 1 3 376.501 0.974 20 0 GCADHO CN(C)C(=O)CN1C[C@H]2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC[C@H]2S1(=O)=O ZINC001169141231 1201933328 /nfs/dbraw/zinc/93/33/28/1201933328.db2.gz WADZZDIFBRMSHT-UYTYNIKBSA-N 1 3 398.573 0.426 20 0 GCADHO CN(C)C(=O)CN1C[C@H]2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC[C@H]2S1(=O)=O ZINC001169141231 1201933330 /nfs/dbraw/zinc/93/33/30/1201933330.db2.gz WADZZDIFBRMSHT-UYTYNIKBSA-N 1 3 398.573 0.426 20 0 GCADHO CC[NH+]1CCC(NCCOCCOCCOCCOCCOCCO)CC1 ZINC001169230070 1201940201 /nfs/dbraw/zinc/94/02/01/1201940201.db2.gz NGBYIELRNKSRGU-UHFFFAOYSA-N 1 3 392.537 0.136 20 0 GCADHO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCOC([O-])=NC(N)=O)CC1 ZINC000772181742 1202175939 /nfs/dbraw/zinc/17/59/39/1202175939.db2.gz BBMOUZJVRGSHAH-UHFFFAOYSA-N 1 3 385.509 0.597 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000787703831 1205399102 /nfs/dbraw/zinc/39/91/02/1205399102.db2.gz DNTTXIDMBZXCHZ-XDNAFOTISA-N 1 3 380.533 0.450 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000787703831 1205399104 /nfs/dbraw/zinc/39/91/04/1205399104.db2.gz DNTTXIDMBZXCHZ-XDNAFOTISA-N 1 3 380.533 0.450 20 0 GCADHO CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000787893990 1205405169 /nfs/dbraw/zinc/40/51/69/1205405169.db2.gz HJINEBFJJOGUQA-ROUUACIJSA-N 1 3 380.533 0.594 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790471445 1205465114 /nfs/dbraw/zinc/46/51/14/1205465114.db2.gz KRAUGKZOJRKAQG-OAHLLOKOSA-N 1 3 399.536 0.064 20 0 GCADHO N=C(N)N(c1ccc(N2CCOCC2)cc1)c1nccnc1N1CC[NH2+]CC1 ZINC001170161740 1205482990 /nfs/dbraw/zinc/48/29/90/1205482990.db2.gz JBDPKGZUUAXYIV-UHFFFAOYSA-N 1 3 382.472 0.754 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCCCC1 ZINC000793727557 1205503711 /nfs/dbraw/zinc/50/37/11/1205503711.db2.gz UFQPSOPNZFXZRA-BHIYHBOVSA-N 1 3 394.560 0.861 20 0 GCADHO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793707124 1205504497 /nfs/dbraw/zinc/50/44/97/1205504497.db2.gz DNIXCJPFLYDAHE-MRXNPFEDSA-N 1 3 382.549 0.983 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCCCC1 ZINC000793708208 1205504718 /nfs/dbraw/zinc/50/47/18/1205504718.db2.gz LSBSGGOZAVJIED-IAGOWNOFSA-N 1 3 380.533 0.594 20 0 GCADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000793872021 1205508286 /nfs/dbraw/zinc/50/82/86/1205508286.db2.gz WRDMURGCGTUVHR-MOPGFXCFSA-N 1 3 388.512 0.734 20 0 GCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000793872021 1205508288 /nfs/dbraw/zinc/50/82/88/1205508288.db2.gz WRDMURGCGTUVHR-MOPGFXCFSA-N 1 3 388.512 0.734 20 0 GCADHO O=C(NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001130220774 1205538020 /nfs/dbraw/zinc/53/80/20/1205538020.db2.gz LRMFIBHBJGGRKU-JLNYLFASSA-N 1 3 391.451 0.769 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000808324076 1205605930 /nfs/dbraw/zinc/60/59/30/1205605930.db2.gz ALNNYMGYBFRFHM-QGZVFWFLSA-N 1 3 380.920 0.875 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=S)NCCCN3CCOCC3)CC2)CC1 ZINC000747619977 1205640491 /nfs/dbraw/zinc/64/04/91/1205640491.db2.gz MNEGDTOFTLPUGM-UHFFFAOYSA-N 1 3 383.606 0.731 20 0 GCADHO Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@H]2C[C@H]3CCC[C@@H](C2)N3C)S(C)(=O)=O)cn1 ZINC001172119678 1205713107 /nfs/dbraw/zinc/71/31/07/1205713107.db2.gz YUKNNNRYODQCIF-BRIYLRKRSA-N 1 3 395.573 0.970 20 0 GCADHO COCCC[NH+]1CCC(N2C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001172257885 1205715143 /nfs/dbraw/zinc/71/51/43/1205715143.db2.gz RLDILHGGYYMCNM-GOSISDBHSA-N 1 3 380.533 0.356 20 0 GCADHO COCCCN1CCC(N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001172252262 1205715235 /nfs/dbraw/zinc/71/52/35/1205715235.db2.gz PXZVJGHGBXFXSU-UHFFFAOYSA-N 1 3 399.561 0.291 20 0 GCADHO CNC(=O)CO[C@H]1CO[C@]2(C1)CCCN(C1CC[NH+](CCCOC)CC1)C2 ZINC001172251045 1205715328 /nfs/dbraw/zinc/71/53/28/1205715328.db2.gz LEVHZSBTKLMKKC-QUCCMNQESA-N 1 3 383.533 0.873 20 0 GCADHO COc1ccc(CN2CC[C@@H](N3CCN(CC[NH3+])CC3)CC2=O)c(OC)c1 ZINC001173025519 1205718504 /nfs/dbraw/zinc/71/85/04/1205718504.db2.gz JGRRBCIRVYIDEU-QGZVFWFLSA-N 1 3 376.501 0.771 20 0 GCADHO COC(=O)[C@@H]1C[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C[C@@H]1C(=O)OC ZINC001173588110 1205725404 /nfs/dbraw/zinc/72/54/04/1205725404.db2.gz SWDQZMQQYWVIBA-NNZMDNLPSA-N 1 3 381.517 0.687 20 0 GCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173749970 1205727306 /nfs/dbraw/zinc/72/73/06/1205727306.db2.gz DJAHNQOITLWWSY-MSOLQXFVSA-N 1 3 385.516 0.981 20 0 GCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173749970 1205727307 /nfs/dbraw/zinc/72/73/07/1205727307.db2.gz DJAHNQOITLWWSY-MSOLQXFVSA-N 1 3 385.516 0.981 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cc[nH]n2)[C@@H](O)OC(C)(C)C)C1 ZINC001175762210 1205741023 /nfs/dbraw/zinc/74/10/23/1205741023.db2.gz QIMDXQZJMQBGQJ-ADBDHWBDSA-N 1 3 397.520 0.248 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cnc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001176836377 1205756044 /nfs/dbraw/zinc/75/60/44/1205756044.db2.gz HETQCCPSAOCPGR-LZDZAVHKSA-N 1 3 397.520 0.248 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001177875357 1205777669 /nfs/dbraw/zinc/77/76/69/1205777669.db2.gz WPJKLFVEJFLYNA-KWFCSAJOSA-N 1 3 396.532 0.853 20 0 GCADHO CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCOC[C@@H]3CN(C)C)CC2)CC1 ZINC001179012341 1205799469 /nfs/dbraw/zinc/79/94/69/1205799469.db2.gz KODGMAHZEJEEIO-IBGZPJMESA-N 1 3 380.533 0.498 20 0 GCADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001181996356 1205853040 /nfs/dbraw/zinc/85/30/40/1205853040.db2.gz PKZNKIOQOQSCQA-GOSISDBHSA-N 1 3 393.576 0.558 20 0 GCADHO CN1CCC(O)(C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)CC1 ZINC001182031079 1205854003 /nfs/dbraw/zinc/85/40/03/1205854003.db2.gz LHNIJGKERPZREQ-RDTXWAMCSA-N 1 3 378.448 0.531 20 0 GCADHO CC[C@H](CO)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001183174056 1205888219 /nfs/dbraw/zinc/88/82/19/1205888219.db2.gz OKVMJPBSJCTINZ-XBEOPHEFSA-N 1 3 389.537 0.301 20 0 GCADHO CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C(=O)NCC[NH2+]CCO)CC2)C1 ZINC001183157462 1205888768 /nfs/dbraw/zinc/88/87/68/1205888768.db2.gz LUZGDFGUDPLGKL-MRXNPFEDSA-N 1 3 384.521 0.406 20 0 GCADHO c1ncc(O[C@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CCN3C2)cn1 ZINC001164743762 720708969 /nfs/dbraw/zinc/70/89/69/720708969.db2.gz YEVVOGOAQGTIBQ-HOTGVXAUSA-N 1 3 382.472 0.018 20 0 GCADHO c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncc1N1CC[NH2+]CC1 ZINC001164737772 720738927 /nfs/dbraw/zinc/73/89/27/720738927.db2.gz CQNKYZCTCRIWHV-ROUUACIJSA-N 1 3 381.484 0.623 20 0 GCADHO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164866031 721061157 /nfs/dbraw/zinc/06/11/57/721061157.db2.gz BTIRVDXVJCWRKN-RTBURBONSA-N 1 3 395.511 0.761 20 0 GCADHO CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc5c(nn4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889763 721422621 /nfs/dbraw/zinc/42/26/21/721422621.db2.gz RJSXLHBTJZHHCE-GHTZIAJQSA-N 1 3 386.544 0.888 20 0 GCADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001164927926 721876041 /nfs/dbraw/zinc/87/60/41/721876041.db2.gz XFWFYEAZTIOTMP-QZTJIDSGSA-N 1 3 387.532 0.131 20 0 GCADHO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001164927926 721876042 /nfs/dbraw/zinc/87/60/42/721876042.db2.gz XFWFYEAZTIOTMP-QZTJIDSGSA-N 1 3 387.532 0.131 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574957435 949614649 /nfs/dbraw/zinc/61/46/49/949614649.db2.gz XXWPCQAYBAQXOL-OUCADQQQSA-N 1 3 375.452 0.940 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574957435 949614660 /nfs/dbraw/zinc/61/46/60/949614660.db2.gz XXWPCQAYBAQXOL-OUCADQQQSA-N 1 3 375.452 0.940 20 0 GCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101244 951855811 /nfs/dbraw/zinc/85/58/11/951855811.db2.gz BGJCAJYCHCHWEL-JSGCOSHPSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101244 951855815 /nfs/dbraw/zinc/85/58/15/951855815.db2.gz BGJCAJYCHCHWEL-JSGCOSHPSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101244 951855817 /nfs/dbraw/zinc/85/58/17/951855817.db2.gz BGJCAJYCHCHWEL-JSGCOSHPSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101244 951855819 /nfs/dbraw/zinc/85/58/19/951855819.db2.gz BGJCAJYCHCHWEL-JSGCOSHPSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575101512 951859096 /nfs/dbraw/zinc/85/90/96/951859096.db2.gz GEOITPWCNZNAOT-GXTWGEPZSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575101512 951859105 /nfs/dbraw/zinc/85/91/05/951859105.db2.gz GEOITPWCNZNAOT-GXTWGEPZSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575101512 951859110 /nfs/dbraw/zinc/85/91/10/951859110.db2.gz GEOITPWCNZNAOT-GXTWGEPZSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575101512 951859116 /nfs/dbraw/zinc/85/91/16/951859116.db2.gz GEOITPWCNZNAOT-GXTWGEPZSA-N 1 3 375.452 0.894 20 0 GCADHO CC(C)C[C@H](NS(=O)(=O)CCCN(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000641600840 530759694 /nfs/dbraw/zinc/75/96/94/530759694.db2.gz UFPPZHFQPHOVGI-HOTGVXAUSA-N 1 3 376.567 0.435 20 0 GCADHO CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1F ZINC000420449943 530967933 /nfs/dbraw/zinc/96/79/33/530967933.db2.gz GRUYIYIHKRRTSL-UHFFFAOYSA-N 1 3 396.510 0.276 20 0 GCADHO CCOC(=O)[C@@H]1CCCN(CC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000909397662 1192227174 /nfs/dbraw/zinc/22/71/74/1192227174.db2.gz ZMFMINPXTOHUGS-QGZVFWFLSA-N 1 3 382.549 0.794 20 0 GCADHO O=C(NCCN1CCCCC1)[C@H]1CC[C@H](C(=O)NCC[NH+]2CCCCC2)O1 ZINC000188260805 1192256060 /nfs/dbraw/zinc/25/60/60/1192256060.db2.gz VXOMIMJAZFMZGV-QZTJIDSGSA-N 1 3 380.533 0.738 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)c3cn(CC[NH3+])nn3)CC2)c1 ZINC000662384828 1192287863 /nfs/dbraw/zinc/28/78/63/1192287863.db2.gz XQJBVQZULUXBAT-UHFFFAOYSA-N 1 3 385.516 0.877 20 0 GCADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCN1CC[C@H](O)C1 ZINC000637220122 1192449801 /nfs/dbraw/zinc/44/98/01/1192449801.db2.gz HIOFAJUGWMPQSV-HSALFYBXSA-N 1 3 390.528 0.889 20 0 GCADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCN1CC[C@H](O)C1 ZINC000637220122 1192449804 /nfs/dbraw/zinc/44/98/04/1192449804.db2.gz HIOFAJUGWMPQSV-HSALFYBXSA-N 1 3 390.528 0.889 20 0 GCADHO CC(C)[NH+]1CCC(N2CCN(C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000433463785 1192486621 /nfs/dbraw/zinc/48/66/21/1192486621.db2.gz AMQWYBLDBJPWBP-SBHAEUEKSA-N 1 3 382.593 0.947 20 0 GCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652682191 1192522543 /nfs/dbraw/zinc/52/25/43/1192522543.db2.gz DFFRCDKEUCVMEZ-XMTFNYHQSA-N 1 3 380.533 0.722 20 0 GCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000509735511 1192531012 /nfs/dbraw/zinc/53/10/12/1192531012.db2.gz GDMMVFVYGFKGQB-FUHWJXTLSA-N 1 3 380.533 0.546 20 0 GCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000509735511 1192531018 /nfs/dbraw/zinc/53/10/18/1192531018.db2.gz GDMMVFVYGFKGQB-FUHWJXTLSA-N 1 3 380.533 0.546 20 0 GCADHO COC[C@]1(CNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418646890 1192623547 /nfs/dbraw/zinc/62/35/47/1192623547.db2.gz XKPGNBJJHSBEPP-UXHICEINSA-N 1 3 376.501 0.691 20 0 GCADHO COC[C@@]1(CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418646891 1192623688 /nfs/dbraw/zinc/62/36/88/1192623688.db2.gz XKPGNBJJHSBEPP-VQTJNVASSA-N 1 3 376.501 0.691 20 0 GCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000418787696 1192644129 /nfs/dbraw/zinc/64/41/29/1192644129.db2.gz UQERXVRHRJWDBR-GOSISDBHSA-N 1 3 387.528 0.655 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000418782338 1192644668 /nfs/dbraw/zinc/64/46/68/1192644668.db2.gz NHLGTCREZKJKBO-MJGOQNOKSA-N 1 3 387.528 0.511 20 0 GCADHO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000418798096 1192647588 /nfs/dbraw/zinc/64/75/88/1192647588.db2.gz GVENUDMITSDQAF-SFHVURJKSA-N 1 3 394.560 0.986 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)[C@@H](C[NH3+])C1 ZINC000418847530 1192666837 /nfs/dbraw/zinc/66/68/37/1192666837.db2.gz JMAHPFLDYVGLLG-KZNAEPCWSA-N 1 3 376.501 0.240 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)[C@H](C[NH3+])C1 ZINC000418847531 1192667069 /nfs/dbraw/zinc/66/70/69/1192667069.db2.gz JMAHPFLDYVGLLG-OKZBNKHCSA-N 1 3 376.501 0.240 20 0 GCADHO N[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000418883290 1192678495 /nfs/dbraw/zinc/67/84/95/1192678495.db2.gz USGHOURRECCZDA-PMACEKPBSA-N 1 3 396.491 0.686 20 0 GCADHO N[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000418883290 1192678500 /nfs/dbraw/zinc/67/85/00/1192678500.db2.gz USGHOURRECCZDA-PMACEKPBSA-N 1 3 396.491 0.686 20 0 GCADHO CC1CCN([C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000418929357 1192694016 /nfs/dbraw/zinc/69/40/16/1192694016.db2.gz FDCBMUBVHHWMJX-RBUKOAKNSA-N 1 3 388.512 0.762 20 0 GCADHO CC1CCN([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c2ccccc2)CC1 ZINC000418937412 1192694662 /nfs/dbraw/zinc/69/46/62/1192694662.db2.gz LCYXLNWRKLGSPY-RBUKOAKNSA-N 1 3 388.512 0.680 20 0 GCADHO CC1CCN([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c2ccccc2)CC1 ZINC000418937411 1192694730 /nfs/dbraw/zinc/69/47/30/1192694730.db2.gz LCYXLNWRKLGSPY-OALUTQOASA-N 1 3 388.512 0.680 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652686938 1192714772 /nfs/dbraw/zinc/71/47/72/1192714772.db2.gz RKTXAWVEXRJQNA-WNRNVDISSA-N 1 3 380.533 0.722 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652686935 1192714848 /nfs/dbraw/zinc/71/48/48/1192714848.db2.gz RKTXAWVEXRJQNA-BSDSXHPESA-N 1 3 380.533 0.722 20 0 GCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419020418 1192721963 /nfs/dbraw/zinc/72/19/63/1192721963.db2.gz FSRXAIGBVHUXRO-INMHGKMJSA-N 1 3 391.520 0.137 20 0 GCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419020418 1192721967 /nfs/dbraw/zinc/72/19/67/1192721967.db2.gz FSRXAIGBVHUXRO-INMHGKMJSA-N 1 3 391.520 0.137 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419021271 1192726214 /nfs/dbraw/zinc/72/62/14/1192726214.db2.gz GQLQTFBTHVXCDU-UKBAYJJMSA-N 1 3 394.560 0.968 20 0 GCADHO O=C(NCC1=CC[NH2+]CC1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419039297 1192736552 /nfs/dbraw/zinc/73/65/52/1192736552.db2.gz UVYXLZBROLWHNS-UHFFFAOYSA-N 1 3 380.558 0.890 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)[C@@H](C)C1 ZINC000419044190 1192737980 /nfs/dbraw/zinc/73/79/80/1192737980.db2.gz SOJFLIADKWCUIQ-YVSFHVDLSA-N 1 3 398.548 0.469 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)[C@@H](C)C1 ZINC000419044190 1192737987 /nfs/dbraw/zinc/73/79/87/1192737987.db2.gz SOJFLIADKWCUIQ-YVSFHVDLSA-N 1 3 398.548 0.469 20 0 GCADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419040834 1192739059 /nfs/dbraw/zinc/73/90/59/1192739059.db2.gz XHSDXTMQNIWZQX-INIZCTEOSA-N 1 3 382.574 0.970 20 0 GCADHO COCC[C@H](C)CNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419056724 1192750463 /nfs/dbraw/zinc/75/04/63/1192750463.db2.gz RUXADVKZQAFPEH-KRWDZBQOSA-N 1 3 390.528 0.885 20 0 GCADHO COCC[C@@H](C)CNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419056725 1192750732 /nfs/dbraw/zinc/75/07/32/1192750732.db2.gz RUXADVKZQAFPEH-QGZVFWFLSA-N 1 3 390.528 0.885 20 0 GCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc(OC)c1 ZINC000419070486 1192766397 /nfs/dbraw/zinc/76/63/97/1192766397.db2.gz HIWCVHRWGMAZFQ-ZIFCJYIRSA-N 1 3 388.512 0.872 20 0 GCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000669274546 1192812579 /nfs/dbraw/zinc/81/25/79/1192812579.db2.gz RGSPBSIXQHMYJX-BZSNNMDCSA-N 1 3 380.533 0.471 20 0 GCADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419163553 1192820868 /nfs/dbraw/zinc/82/08/68/1192820868.db2.gz LOYOQKAMEKYVFG-RBUKOAKNSA-N 1 3 390.528 0.754 20 0 GCADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419166095 1192822232 /nfs/dbraw/zinc/82/22/32/1192822232.db2.gz OHUVUJNAZJZLEN-GOSISDBHSA-N 1 3 376.501 0.462 20 0 GCADHO O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419168045 1192823449 /nfs/dbraw/zinc/82/34/49/1192823449.db2.gz ROMUSGQSJPSVRE-IBGZPJMESA-N 1 3 386.496 0.430 20 0 GCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419169672 1192824878 /nfs/dbraw/zinc/82/48/78/1192824878.db2.gz VALZIDQFFPTVHT-ZWKOTPCHSA-N 1 3 376.501 0.493 20 0 GCADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419156032 1192824902 /nfs/dbraw/zinc/82/49/02/1192824902.db2.gz BRGPQQCOOFVHKN-RTBURBONSA-N 1 3 390.528 0.835 20 0 GCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419168825 1192830467 /nfs/dbraw/zinc/83/04/67/1192830467.db2.gz TUOMQLXVEAAEHJ-NZSAHSFTSA-N 1 3 388.512 0.589 20 0 GCADHO NC1(CNC(=O)C(=O)NCCCn2cccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000419191608 1192830974 /nfs/dbraw/zinc/83/09/74/1192830974.db2.gz OHCRJKCGQPLSSJ-UHFFFAOYSA-N 1 3 398.511 0.499 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1(C)C ZINC000419191229 1192831090 /nfs/dbraw/zinc/83/10/90/1192831090.db2.gz WEPXAESEOMRYPW-ZWKOTPCHSA-N 1 3 387.528 0.082 20 0 GCADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419196003 1192832604 /nfs/dbraw/zinc/83/26/04/1192832604.db2.gz AEFWIUKVPMTHDX-APWZRJJASA-N 1 3 388.512 0.782 20 0 GCADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419196003 1192832609 /nfs/dbraw/zinc/83/26/09/1192832609.db2.gz AEFWIUKVPMTHDX-APWZRJJASA-N 1 3 388.512 0.782 20 0 GCADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000419194787 1192833068 /nfs/dbraw/zinc/83/30/68/1192833068.db2.gz UEBJMAJARUQCEF-QFBILLFUSA-N 1 3 388.512 0.782 20 0 GCADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000419194787 1192833074 /nfs/dbraw/zinc/83/30/74/1192833074.db2.gz UEBJMAJARUQCEF-QFBILLFUSA-N 1 3 388.512 0.782 20 0 GCADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)C(=O)NC[C@H]1CNCCO1 ZINC000419210989 1192898123 /nfs/dbraw/zinc/89/81/23/1192898123.db2.gz WIIBMHYBVMPHRJ-LJQANCHMSA-N 1 3 388.512 0.783 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CC[NH2+]1 ZINC000419218199 1192918239 /nfs/dbraw/zinc/91/82/39/1192918239.db2.gz RUJBDPZYWVJMNK-BRWVUGGUSA-N 1 3 388.512 0.732 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654727294 1184105167 /nfs/dbraw/zinc/10/51/67/1184105167.db2.gz JKYCODDMABSXNV-ROUUACIJSA-N 1 3 377.533 0.953 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654727294 1184105173 /nfs/dbraw/zinc/10/51/73/1184105173.db2.gz JKYCODDMABSXNV-ROUUACIJSA-N 1 3 377.533 0.953 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654730176 1184109506 /nfs/dbraw/zinc/10/95/06/1184109506.db2.gz MNONUMVAQYVSNR-OKZBNKHCSA-N 1 3 377.533 0.951 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654730176 1184109513 /nfs/dbraw/zinc/10/95/13/1184109513.db2.gz MNONUMVAQYVSNR-OKZBNKHCSA-N 1 3 377.533 0.951 20 0 GCADHO CC[N@H+](CCO)CCNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000274680767 1184182954 /nfs/dbraw/zinc/18/29/54/1184182954.db2.gz RHCDMVHVCWBFEG-FQEVSTJZSA-N 1 3 391.560 0.979 20 0 GCADHO CC[N@@H+](CCO)CCNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000274680767 1184182956 /nfs/dbraw/zinc/18/29/56/1184182956.db2.gz RHCDMVHVCWBFEG-FQEVSTJZSA-N 1 3 391.560 0.979 20 0 GCADHO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000109182172 1184340858 /nfs/dbraw/zinc/34/08/58/1184340858.db2.gz QSVUKBHRYOKTFL-GOSISDBHSA-N 1 3 376.501 0.896 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000610250406 1184576707 /nfs/dbraw/zinc/57/67/07/1184576707.db2.gz DHGMNYAAYHTDNL-HXUWFJFHSA-N 1 3 377.577 0.830 20 0 GCADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC2)C1 ZINC000656029238 1184965627 /nfs/dbraw/zinc/96/56/27/1184965627.db2.gz XEPPJEKVWQZLOK-YRXWBPOGSA-N 1 3 392.544 0.864 20 0 GCADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC2)C1 ZINC000656029236 1184965663 /nfs/dbraw/zinc/96/56/63/1184965663.db2.gz XEPPJEKVWQZLOK-MKXGPGLRSA-N 1 3 392.544 0.864 20 0 GCADHO Cc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000580466769 1185239433 /nfs/dbraw/zinc/23/94/33/1185239433.db2.gz MGEDRQHDZCVYFP-LSDHHAIUSA-N 1 3 375.473 0.711 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000557415181 1185304513 /nfs/dbraw/zinc/30/45/13/1185304513.db2.gz RTOJIMZBXIMDIZ-KRWDZBQOSA-N 1 3 395.548 0.036 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000557415181 1185304519 /nfs/dbraw/zinc/30/45/19/1185304519.db2.gz RTOJIMZBXIMDIZ-KRWDZBQOSA-N 1 3 395.548 0.036 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCN(C)CC1 ZINC000656288357 1185335318 /nfs/dbraw/zinc/33/53/18/1185335318.db2.gz AYHQHYLJZHJBDR-FHWLQOOXSA-N 1 3 393.576 0.508 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCN(C)CC1 ZINC000656288357 1185335323 /nfs/dbraw/zinc/33/53/23/1185335323.db2.gz AYHQHYLJZHJBDR-FHWLQOOXSA-N 1 3 393.576 0.508 20 0 GCADHO CN1CCN(Cc2ccc(CNC(=O)c3cn(CCCC[NH3+])nn3)cc2)CC1 ZINC000580771961 1185350072 /nfs/dbraw/zinc/35/00/72/1185350072.db2.gz QYRVIGJKGSRENH-UHFFFAOYSA-N 1 3 385.516 0.694 20 0 GCADHO CCC(C)(C)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000656296536 1185357056 /nfs/dbraw/zinc/35/70/56/1185357056.db2.gz KOBZKLPIZMUWMJ-UHFFFAOYSA-N 1 3 381.565 0.463 20 0 GCADHO N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000580845232 1185394987 /nfs/dbraw/zinc/39/49/87/1185394987.db2.gz VLJPTALWSJBPQU-MSOLQXFVSA-N 1 3 399.495 0.034 20 0 GCADHO Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001707885945 1185402411 /nfs/dbraw/zinc/40/24/11/1185402411.db2.gz CJVRRHLXVBQMAH-ICSRJNTNSA-N 1 3 391.564 0.258 20 0 GCADHO Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001707885945 1185402412 /nfs/dbraw/zinc/40/24/12/1185402412.db2.gz CJVRRHLXVBQMAH-ICSRJNTNSA-N 1 3 391.564 0.258 20 0 GCADHO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000581063703 1185481198 /nfs/dbraw/zinc/48/11/98/1185481198.db2.gz NOSPJXDIOSKPAD-RHSMWYFYSA-N 1 3 380.533 0.591 20 0 GCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581082392 1185489004 /nfs/dbraw/zinc/48/90/04/1185489004.db2.gz JHWFZKGPWTYVST-JCHJZTRSSA-N 1 3 385.512 0.850 20 0 GCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581082392 1185489009 /nfs/dbraw/zinc/48/90/09/1185489009.db2.gz JHWFZKGPWTYVST-JCHJZTRSSA-N 1 3 385.512 0.850 20 0 GCADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000581261316 1185560641 /nfs/dbraw/zinc/56/06/41/1185560641.db2.gz KBIXXUKOBXASCT-FHWLQOOXSA-N 1 3 387.528 0.893 20 0 GCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000581429232 1185687688 /nfs/dbraw/zinc/68/76/88/1185687688.db2.gz CWKSZUYFBKHOID-ROUUACIJSA-N 1 3 389.544 0.553 20 0 GCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000581451569 1185697338 /nfs/dbraw/zinc/69/73/38/1185697338.db2.gz IQOCWQRLOHDGSI-NXHRZFHOSA-N 1 3 380.533 0.471 20 0 GCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000430639172 1185842612 /nfs/dbraw/zinc/84/26/12/1185842612.db2.gz FDFUGZKTANTLNL-LJQANCHMSA-N 1 3 387.528 0.118 20 0 GCADHO [NH3+]CCNC(=O)[C@H]1CCCN(CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000430639171 1185842957 /nfs/dbraw/zinc/84/29/57/1185842957.db2.gz FDFUGZKTANTLNL-IBGZPJMESA-N 1 3 387.528 0.118 20 0 GCADHO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000891566292 1185921190 /nfs/dbraw/zinc/92/11/90/1185921190.db2.gz TZOXBXXSFGOBNU-WOJBJXKFSA-N 1 3 387.528 0.407 20 0 GCADHO Cc1c(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)nnn1C1CC[NH2+]CC1 ZINC000430873755 1186045201 /nfs/dbraw/zinc/04/52/01/1186045201.db2.gz WODYUYRGPKHAED-MRXNPFEDSA-N 1 3 391.520 0.184 20 0 GCADHO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430919892 1186054129 /nfs/dbraw/zinc/05/41/29/1186054129.db2.gz MTEPNCFDZYEYOC-MELADBBJSA-N 1 3 382.530 0.959 20 0 GCADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891857424 1186099600 /nfs/dbraw/zinc/09/96/00/1186099600.db2.gz AZOGCDZMCZDVHG-TWMKSMIVSA-N 1 3 377.489 0.580 20 0 GCADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891857422 1186100071 /nfs/dbraw/zinc/10/00/71/1186100071.db2.gz AZOGCDZMCZDVHG-HZMVEIRTSA-N 1 3 377.489 0.580 20 0 GCADHO CN(CCC[NH+]1CCN(C)CC1)CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000182966138 1186265551 /nfs/dbraw/zinc/26/55/51/1186265551.db2.gz BIWBZQQTAIOXJM-UHFFFAOYSA-N 1 3 377.533 0.493 20 0 GCADHO Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001707915694 1186272883 /nfs/dbraw/zinc/27/28/83/1186272883.db2.gz WMQRADBIBDVFLV-GOSISDBHSA-N 1 3 392.548 0.592 20 0 GCADHO CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000102812131 1186322096 /nfs/dbraw/zinc/32/20/96/1186322096.db2.gz URNWAVNBASDEFD-UHFFFAOYSA-N 1 3 389.544 0.873 20 0 GCADHO O=C(NC[C@H]1NCCc2ccccc21)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892118866 1186354608 /nfs/dbraw/zinc/35/46/08/1186354608.db2.gz JFNUZHBEOQJYCA-HPBDAGMYSA-N 1 3 385.468 0.450 20 0 GCADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892118868 1186354616 /nfs/dbraw/zinc/35/46/16/1186354616.db2.gz JFNUZHBEOQJYCA-OWLYRPNTSA-N 1 3 385.468 0.450 20 0 GCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000582079184 1186399003 /nfs/dbraw/zinc/39/90/03/1186399003.db2.gz VCWXDZXMCITYRO-UHFFFAOYSA-N 1 3 395.592 0.707 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000582619961 1186587306 /nfs/dbraw/zinc/58/73/06/1186587306.db2.gz MDGOPSVECKZIIK-BQFCYCMXSA-N 1 3 379.549 0.116 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000582619961 1186587310 /nfs/dbraw/zinc/58/73/10/1186587310.db2.gz MDGOPSVECKZIIK-BQFCYCMXSA-N 1 3 379.549 0.116 20 0 GCADHO CN1CCC([NH+]2CCC(NC(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)CC1 ZINC000363485107 1186611354 /nfs/dbraw/zinc/61/13/54/1186611354.db2.gz KLCXTEUXXYDIBH-MOPGFXCFSA-N 1 3 379.549 0.707 20 0 GCADHO C[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)CN1CCN(C)CC1 ZINC000074656107 1186626534 /nfs/dbraw/zinc/62/65/34/1186626534.db2.gz XGPXVQPVCNSTEV-RTBURBONSA-N 1 3 380.581 0.291 20 0 GCADHO C[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)CN1CCN(C)CC1 ZINC000074656107 1186626535 /nfs/dbraw/zinc/62/65/35/1186626535.db2.gz XGPXVQPVCNSTEV-RTBURBONSA-N 1 3 380.581 0.291 20 0 GCADHO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000582799859 1186682553 /nfs/dbraw/zinc/68/25/53/1186682553.db2.gz CEVSQLZVEYWCMT-UHFFFAOYSA-N 1 3 393.576 0.607 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000582824091 1186701932 /nfs/dbraw/zinc/70/19/32/1186701932.db2.gz MSZGMLYRLQKOPS-UHFFFAOYSA-N 1 3 389.500 0.205 20 0 GCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CCCO1 ZINC000582986291 1186741893 /nfs/dbraw/zinc/74/18/93/1186741893.db2.gz OITMGISARJBNGY-QGZVFWFLSA-N 1 3 382.549 0.936 20 0 GCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CCCO1 ZINC000582986291 1186741895 /nfs/dbraw/zinc/74/18/95/1186741895.db2.gz OITMGISARJBNGY-QGZVFWFLSA-N 1 3 382.549 0.936 20 0 GCADHO CCc1ncc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cn1 ZINC000124588220 1186797974 /nfs/dbraw/zinc/79/79/74/1186797974.db2.gz JEZNGWKHOBFMII-INIZCTEOSA-N 1 3 376.505 0.852 20 0 GCADHO CCc1ncc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000124588220 1186797977 /nfs/dbraw/zinc/79/79/77/1186797977.db2.gz JEZNGWKHOBFMII-INIZCTEOSA-N 1 3 376.505 0.852 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c(C)ccn(C)c1=O ZINC000124590478 1186798895 /nfs/dbraw/zinc/79/88/95/1186798895.db2.gz OTDAKDYULOXHOT-INIZCTEOSA-N 1 3 391.516 0.507 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c(C)ccn(C)c1=O ZINC000124590478 1186798898 /nfs/dbraw/zinc/79/88/98/1186798898.db2.gz OTDAKDYULOXHOT-INIZCTEOSA-N 1 3 391.516 0.507 20 0 GCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392502 1186844142 /nfs/dbraw/zinc/84/41/42/1186844142.db2.gz IKEJGSASJRVWCX-GBESFXJTSA-N 1 3 385.512 0.504 20 0 GCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392502 1186844146 /nfs/dbraw/zinc/84/41/46/1186844146.db2.gz IKEJGSASJRVWCX-GBESFXJTSA-N 1 3 385.512 0.504 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000583798233 1186941346 /nfs/dbraw/zinc/94/13/46/1186941346.db2.gz MQDQQAHINGBDAT-HXUWFJFHSA-N 1 3 398.548 0.519 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000583980407 1186972022 /nfs/dbraw/zinc/97/20/22/1186972022.db2.gz OULAJTDAEXDEMX-GOSISDBHSA-N 1 3 375.517 0.651 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)C[C@H](C)O1 ZINC000584107295 1186999963 /nfs/dbraw/zinc/99/99/63/1186999963.db2.gz GSKJEFXXPNMWHW-JFRXWTBNSA-N 1 3 392.544 0.545 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1oc(=O)n2C ZINC000562499203 1187006297 /nfs/dbraw/zinc/00/62/97/1187006297.db2.gz YNIXFDOAQVOYGR-UHFFFAOYSA-N 1 3 377.445 0.022 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccnc(COC)n1 ZINC000657835018 1187014947 /nfs/dbraw/zinc/01/49/47/1187014947.db2.gz NSTQKDKMHFHWTE-HNNXBMFYSA-N 1 3 392.504 0.436 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccnc(COC)n1 ZINC000657835018 1187014952 /nfs/dbraw/zinc/01/49/52/1187014952.db2.gz NSTQKDKMHFHWTE-HNNXBMFYSA-N 1 3 392.504 0.436 20 0 GCADHO CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CCN(CCc2ccccn2)CC1 ZINC000584352914 1187037366 /nfs/dbraw/zinc/03/73/66/1187037366.db2.gz GTGQDLWIAJDQJP-LJQANCHMSA-N 1 3 387.528 0.805 20 0 GCADHO CN1CCCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC000635562239 1187092244 /nfs/dbraw/zinc/09/22/44/1187092244.db2.gz MCNGBHBNIZYMKR-IRXDYDNUSA-N 1 3 380.533 0.737 20 0 GCADHO CN1CCCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCOCC1 ZINC000635562239 1187092246 /nfs/dbraw/zinc/09/22/46/1187092246.db2.gz MCNGBHBNIZYMKR-IRXDYDNUSA-N 1 3 380.533 0.737 20 0 GCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1COc2ccccc21 ZINC000685405406 1187123601 /nfs/dbraw/zinc/12/36/01/1187123601.db2.gz WLAYCTBJZAOXDB-DOTOQJQBSA-N 1 3 376.501 0.619 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000685520294 1187143471 /nfs/dbraw/zinc/14/34/71/1187143471.db2.gz BOPMXQVMIRVSED-ROUUACIJSA-N 1 3 393.576 0.461 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000685520294 1187143475 /nfs/dbraw/zinc/14/34/75/1187143475.db2.gz BOPMXQVMIRVSED-ROUUACIJSA-N 1 3 393.576 0.461 20 0 GCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000685520295 1187143784 /nfs/dbraw/zinc/14/37/84/1187143784.db2.gz BOPMXQVMIRVSED-ZWKOTPCHSA-N 1 3 393.576 0.461 20 0 GCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000685520295 1187143787 /nfs/dbraw/zinc/14/37/87/1187143787.db2.gz BOPMXQVMIRVSED-ZWKOTPCHSA-N 1 3 393.576 0.461 20 0 GCADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000612225614 1187412818 /nfs/dbraw/zinc/41/28/18/1187412818.db2.gz DSHUFUHTQCXJCT-UHFFFAOYSA-N 1 3 387.528 0.964 20 0 GCADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612447319 1187493298 /nfs/dbraw/zinc/49/32/98/1187493298.db2.gz PGZFAHJHQACBMB-IEBWSBKVSA-N 1 3 392.544 0.879 20 0 GCADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612447319 1187493302 /nfs/dbraw/zinc/49/33/02/1187493302.db2.gz PGZFAHJHQACBMB-IEBWSBKVSA-N 1 3 392.544 0.879 20 0 GCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612479230 1187503050 /nfs/dbraw/zinc/50/30/50/1187503050.db2.gz AOQYBLQFKSBBNZ-SJLPKXTDSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000612486221 1187506208 /nfs/dbraw/zinc/50/62/08/1187506208.db2.gz QMBIORQYRXETJQ-ROUUACIJSA-N 1 3 382.549 0.792 20 0 GCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000612543892 1187518220 /nfs/dbraw/zinc/51/82/20/1187518220.db2.gz TUTFKEZCOIGLKX-SFHVURJKSA-N 1 3 379.549 0.073 20 0 GCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000612543889 1187518288 /nfs/dbraw/zinc/51/82/88/1187518288.db2.gz TUTFKEZCOIGLKX-GOSISDBHSA-N 1 3 379.549 0.073 20 0 GCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000612548655 1187521220 /nfs/dbraw/zinc/52/12/20/1187521220.db2.gz PLBHYDAWUCYMMH-CEXWTWQISA-N 1 3 393.576 0.604 20 0 GCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000612548655 1187521224 /nfs/dbraw/zinc/52/12/24/1187521224.db2.gz PLBHYDAWUCYMMH-CEXWTWQISA-N 1 3 393.576 0.604 20 0 GCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000612546407 1187521582 /nfs/dbraw/zinc/52/15/82/1187521582.db2.gz SFLBTYNBSSNCFD-GOSISDBHSA-N 1 3 393.576 0.604 20 0 GCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000612546585 1187522773 /nfs/dbraw/zinc/52/27/73/1187522773.db2.gz UGJZFRHHKQZDAC-BZSNNMDCSA-N 1 3 379.549 0.071 20 0 GCADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612594371 1187534598 /nfs/dbraw/zinc/53/45/98/1187534598.db2.gz LEBPRHXFMGDTFL-GOSISDBHSA-N 1 3 382.549 0.936 20 0 GCADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612597770 1187535947 /nfs/dbraw/zinc/53/59/47/1187535947.db2.gz NAGZHZCTBZKZHI-BPQIPLTHSA-N 1 3 378.517 0.299 20 0 GCADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612597770 1187535951 /nfs/dbraw/zinc/53/59/51/1187535951.db2.gz NAGZHZCTBZKZHI-BPQIPLTHSA-N 1 3 378.517 0.299 20 0 GCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612596999 1187536745 /nfs/dbraw/zinc/53/67/45/1187536745.db2.gz ZKTFAFSTBAEORW-HKUYNNGSSA-N 1 3 392.544 0.546 20 0 GCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612596999 1187536749 /nfs/dbraw/zinc/53/67/49/1187536749.db2.gz ZKTFAFSTBAEORW-HKUYNNGSSA-N 1 3 392.544 0.546 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000612601709 1187539932 /nfs/dbraw/zinc/53/99/32/1187539932.db2.gz SYVVAAZNKFXNCZ-ZWKOTPCHSA-N 1 3 378.517 0.443 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C[NH+]1CCCCC1 ZINC000612602439 1187540195 /nfs/dbraw/zinc/54/01/95/1187540195.db2.gz XVSDQXMAQNHSPZ-FUHWJXTLSA-N 1 3 380.533 0.594 20 0 GCADHO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)O1 ZINC000570329140 1187574811 /nfs/dbraw/zinc/57/48/11/1187574811.db2.gz JQGUWJUYGNDINF-OTWHNJEPSA-N 1 3 387.528 0.949 20 0 GCADHO COC(=O)[C@@H]1CN(C)CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000413911789 1187582249 /nfs/dbraw/zinc/58/22/49/1187582249.db2.gz ZDUJWBARYLWFGE-LJQANCHMSA-N 1 3 388.512 0.611 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)N3CCCC3)C2)CC[N@@H+]1C ZINC001025000084 1187741894 /nfs/dbraw/zinc/74/18/94/1187741894.db2.gz BABRAXQYGDNFRH-YLFCFFPRSA-N 1 3 380.533 0.279 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)N3CCCC3)C2)CC[N@H+]1C ZINC001025000084 1187741896 /nfs/dbraw/zinc/74/18/96/1187741896.db2.gz BABRAXQYGDNFRH-YLFCFFPRSA-N 1 3 380.533 0.279 20 0 GCADHO COCC[NH+](CCOC)C1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000376343972 1187779052 /nfs/dbraw/zinc/77/90/52/1187779052.db2.gz MOEXQEFSAJWDPP-OALUTQOASA-N 1 3 398.548 0.618 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000659027315 1187846510 /nfs/dbraw/zinc/84/65/10/1187846510.db2.gz QFRHNDUYITWKGD-SFHVURJKSA-N 1 3 379.549 0.168 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000659027315 1187846515 /nfs/dbraw/zinc/84/65/15/1187846515.db2.gz QFRHNDUYITWKGD-SFHVURJKSA-N 1 3 379.549 0.168 20 0 GCADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](C)N1CCOCC1 ZINC000105211070 1187876543 /nfs/dbraw/zinc/87/65/43/1187876543.db2.gz PLPPAICMFQBNSF-IRXDYDNUSA-N 1 3 381.565 0.953 20 0 GCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000647597066 1187907005 /nfs/dbraw/zinc/90/70/05/1187907005.db2.gz IUZFUXFEFVQZNV-HZPDHXFCSA-N 1 3 375.517 0.789 20 0 GCADHO CN(C(=O)c1ccc(NC(=O)c2cn(CC[NH3+])nn2)cc1)[C@H]1CCCN(C)C1 ZINC000659287825 1187925300 /nfs/dbraw/zinc/92/53/00/1187925300.db2.gz UUDCICGRKJIQSY-INIZCTEOSA-N 1 3 385.472 0.655 20 0 GCADHO C[NH+](C)CCOc1ccc(CCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659450639 1187960207 /nfs/dbraw/zinc/96/02/07/1187960207.db2.gz CSBHHDDUWSBONR-UHFFFAOYSA-N 1 3 388.472 0.623 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)C1 ZINC000659456313 1187961156 /nfs/dbraw/zinc/96/11/56/1187961156.db2.gz KMEFWQJMGSJISM-ZFWWWQNUSA-N 1 3 380.493 0.577 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)C1 ZINC000659456313 1187961160 /nfs/dbraw/zinc/96/11/60/1187961160.db2.gz KMEFWQJMGSJISM-ZFWWWQNUSA-N 1 3 380.493 0.577 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000659470460 1187962308 /nfs/dbraw/zinc/96/23/08/1187962308.db2.gz BUOBHWLVQHOAIQ-HUUCEWRRSA-N 1 3 378.477 0.208 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659581310 1187973149 /nfs/dbraw/zinc/97/31/49/1187973149.db2.gz LBGCFXSQQPAFBA-QZTJIDSGSA-N 1 3 393.507 0.933 20 0 GCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000659699566 1188002892 /nfs/dbraw/zinc/00/28/92/1188002892.db2.gz XTESIKOFIWBNJD-UHFFFAOYSA-N 1 3 389.544 0.506 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659699497 1188003340 /nfs/dbraw/zinc/00/33/40/1188003340.db2.gz UGCHSSIPFHXWNE-OKILXGFUSA-N 1 3 392.504 0.131 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659699497 1188003346 /nfs/dbraw/zinc/00/33/46/1188003346.db2.gz UGCHSSIPFHXWNE-OKILXGFUSA-N 1 3 392.504 0.131 20 0 GCADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659722647 1188008000 /nfs/dbraw/zinc/00/80/00/1188008000.db2.gz FLRKFBOCFPCFMT-UHFFFAOYSA-N 1 3 385.512 0.836 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000659740190 1188018939 /nfs/dbraw/zinc/01/89/39/1188018939.db2.gz FXGOULAVXQCUDY-UHOSZYNNSA-N 1 3 394.560 0.968 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@H]([NH2+]C)C3)cc2)CC1 ZINC000415369229 1188062514 /nfs/dbraw/zinc/06/25/14/1188062514.db2.gz BMCUSTNTYFFDHK-IBGZPJMESA-N 1 3 387.528 0.973 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)cc2)CC1 ZINC000415409132 1188072348 /nfs/dbraw/zinc/07/23/48/1188072348.db2.gz DFBLUXKJBSEZMI-INIZCTEOSA-N 1 3 375.517 0.734 20 0 GCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000415492852 1188090551 /nfs/dbraw/zinc/09/05/51/1188090551.db2.gz LNBKBSPIGRVZBV-HNNXBMFYSA-N 1 3 375.473 0.704 20 0 GCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCO1 ZINC000415597843 1188117553 /nfs/dbraw/zinc/11/75/53/1188117553.db2.gz JZQBBIZTJXJPOT-QGZVFWFLSA-N 1 3 392.525 0.403 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC000415693828 1188140755 /nfs/dbraw/zinc/14/07/55/1188140755.db2.gz QITQBKZGMLOKEW-NRFANRHFSA-N 1 3 387.528 0.960 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000415747380 1188156764 /nfs/dbraw/zinc/15/67/64/1188156764.db2.gz OPOKAYKTSYGXDB-OALUTQOASA-N 1 3 399.539 0.831 20 0 GCADHO CN(C)CCn1nccc1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000415760148 1188158171 /nfs/dbraw/zinc/15/81/71/1188158171.db2.gz RQAVRLNVPYASRZ-GFCCVEGCSA-N 1 3 377.415 0.402 20 0 GCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000472893049 1188163039 /nfs/dbraw/zinc/16/30/39/1188163039.db2.gz AXKDXALNXADZMF-SFHVURJKSA-N 1 3 381.565 0.957 20 0 GCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000472915281 1189384232 /nfs/dbraw/zinc/38/42/32/1189384232.db2.gz RKLUVWSTIMBZMB-ROUUACIJSA-N 1 3 381.565 0.813 20 0 GCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)c(C)c2)CC1 ZINC000415871036 1189390207 /nfs/dbraw/zinc/39/02/07/1189390207.db2.gz UQNVOOIYBSBHGW-QGZVFWFLSA-N 1 3 389.500 0.180 20 0 GCADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000893230121 1189501029 /nfs/dbraw/zinc/50/10/29/1189501029.db2.gz AEKAPLYCAOUDAA-NJAFHUGGSA-N 1 3 381.542 0.688 20 0 GCADHO C[C@H](NCCN1CC[NH2+]CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000584584671 1189593733 /nfs/dbraw/zinc/59/37/33/1189593733.db2.gz CEQZFZNXSNZLSL-INIZCTEOSA-N 1 3 382.530 0.263 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000364165365 1189687238 /nfs/dbraw/zinc/68/72/38/1189687238.db2.gz PYSKJTPJTUHALT-SJORKVTESA-N 1 3 381.521 0.045 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000364165365 1189687245 /nfs/dbraw/zinc/68/72/45/1189687245.db2.gz PYSKJTPJTUHALT-SJORKVTESA-N 1 3 381.521 0.045 20 0 GCADHO O=C(NCCCN1CC[NH2+]CC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418076686 1189718852 /nfs/dbraw/zinc/71/88/52/1189718852.db2.gz ROGBBMAUWZPGLF-HXUWFJFHSA-N 1 3 389.544 0.872 20 0 GCADHO O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418078980 1189720293 /nfs/dbraw/zinc/72/02/93/1189720293.db2.gz XAPIXMYDYQOIAF-LJQANCHMSA-N 1 3 375.517 0.482 20 0 GCADHO O=C(NCCN1CC[NH2+]CC1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418078979 1189720388 /nfs/dbraw/zinc/72/03/88/1189720388.db2.gz XAPIXMYDYQOIAF-IBGZPJMESA-N 1 3 375.517 0.482 20 0 GCADHO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000660342455 1189722172 /nfs/dbraw/zinc/72/21/72/1189722172.db2.gz BIVVHASHVTVKOF-SJLPKXTDSA-N 1 3 376.501 0.171 20 0 GCADHO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000660342455 1189722177 /nfs/dbraw/zinc/72/21/77/1189722177.db2.gz BIVVHASHVTVKOF-SJLPKXTDSA-N 1 3 376.501 0.171 20 0 GCADHO O=C(NC[C@H]1CCCCN1C1CC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418114460 1189724425 /nfs/dbraw/zinc/72/44/25/1189724425.db2.gz LXHOCZSSCRQUTO-LMMKCTJWSA-N 1 3 377.533 0.949 20 0 GCADHO CN1CCN(c2ccncc2NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662756068 1190020117 /nfs/dbraw/zinc/02/01/17/1190020117.db2.gz HIUNWMYNQIFVOU-HNNXBMFYSA-N 1 3 384.488 0.992 20 0 GCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000661441986 1190049259 /nfs/dbraw/zinc/04/92/59/1190049259.db2.gz JNCKASGWUOQFBG-MRXNPFEDSA-N 1 3 395.548 0.639 20 0 GCADHO C[C@@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000512665131 1193729587 /nfs/dbraw/zinc/72/95/87/1193729587.db2.gz DQSSIXKYNKTWTE-OALUTQOASA-N 1 3 383.581 0.939 20 0 GCADHO C[C@@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@H+]1CCCC[C@@H]1C ZINC000512665131 1193729589 /nfs/dbraw/zinc/72/95/89/1193729589.db2.gz DQSSIXKYNKTWTE-OALUTQOASA-N 1 3 383.581 0.939 20 0 GCADHO CC(C)OCCNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419227032 1193732646 /nfs/dbraw/zinc/73/26/46/1193732646.db2.gz JQFPHIPHANTSLT-UHFFFAOYSA-N 1 3 376.501 0.637 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000509782891 1193756293 /nfs/dbraw/zinc/75/62/93/1193756293.db2.gz MTDXMZIPMCLBOE-UHFFFAOYSA-N 1 3 383.537 0.293 20 0 GCADHO C[NH+](C)CCC1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000512836633 1193786477 /nfs/dbraw/zinc/78/64/77/1193786477.db2.gz AIQNTRNXPSYUJX-UHFFFAOYSA-N 1 3 383.581 0.750 20 0 GCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000419330026 1193822246 /nfs/dbraw/zinc/82/22/46/1193822246.db2.gz FXOCTOAUFGXQLX-QGZVFWFLSA-N 1 3 389.544 0.555 20 0 GCADHO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000247875381 1193826408 /nfs/dbraw/zinc/82/64/08/1193826408.db2.gz YLJIQUUHKFXQLX-AKHDSKFASA-N 1 3 381.565 0.906 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000419342952 1193833663 /nfs/dbraw/zinc/83/36/63/1193833663.db2.gz QDAVYOSBAIOGMM-LJQANCHMSA-N 1 3 387.528 0.294 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)CCC[NH2+]C)CC1 ZINC000419345609 1193839951 /nfs/dbraw/zinc/83/99/51/1193839951.db2.gz UGPSUYAERYDENB-UHFFFAOYSA-N 1 3 389.544 0.508 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000419348184 1193844242 /nfs/dbraw/zinc/84/42/42/1193844242.db2.gz XQBVFAGDMAVQRM-VQIMIIECSA-N 1 3 387.528 0.246 20 0 GCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000419375079 1193878270 /nfs/dbraw/zinc/87/82/70/1193878270.db2.gz PYBCEZXOULWDQV-IPMKNSEASA-N 1 3 384.524 0.706 20 0 GCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000419375078 1193878720 /nfs/dbraw/zinc/87/87/20/1193878720.db2.gz PYBCEZXOULWDQV-GUDVDZBRSA-N 1 3 384.524 0.706 20 0 GCADHO CN(C)C1(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)Cc2ccccc2C1 ZINC000419378752 1193879345 /nfs/dbraw/zinc/87/93/45/1193879345.db2.gz VRJNXAKEAXJTAE-UHFFFAOYSA-N 1 3 384.524 0.804 20 0 GCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000549937082 1193954698 /nfs/dbraw/zinc/95/46/98/1193954698.db2.gz RVGUDZUKCOBSOY-GOSISDBHSA-N 1 3 395.592 0.757 20 0 GCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000419403415 1194021058 /nfs/dbraw/zinc/02/10/58/1194021058.db2.gz DOVMWQUPJMBQCE-QILLFSRXSA-N 1 3 376.476 0.927 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419419315 1194022389 /nfs/dbraw/zinc/02/23/89/1194022389.db2.gz JEDDCUAGGPIJJD-MAUKXSAKSA-N 1 3 388.512 0.780 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419419315 1194022390 /nfs/dbraw/zinc/02/23/90/1194022390.db2.gz JEDDCUAGGPIJJD-MAUKXSAKSA-N 1 3 388.512 0.780 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419424768 1194025118 /nfs/dbraw/zinc/02/51/18/1194025118.db2.gz URIJZWRCRNDJAS-RBUKOAKNSA-N 1 3 387.528 0.431 20 0 GCADHO C[C@@H](Cn1cccn1)NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419424401 1194025200 /nfs/dbraw/zinc/02/52/00/1194025200.db2.gz NXYKGVSVWBNGNZ-KRWDZBQOSA-N 1 3 398.511 0.498 20 0 GCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419425552 1194026035 /nfs/dbraw/zinc/02/60/35/1194026035.db2.gz VZEPGKJABWPLMG-RTBURBONSA-N 1 3 389.544 0.581 20 0 GCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419425425 1194026218 /nfs/dbraw/zinc/02/62/18/1194026218.db2.gz VQEYACBAJLTJIX-QGZVFWFLSA-N 1 3 375.517 0.164 20 0 GCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419427513 1194026281 /nfs/dbraw/zinc/02/62/81/1194026281.db2.gz ZBSIBXOAFLWOPK-WMZOPIPTSA-N 1 3 375.517 0.287 20 0 GCADHO CC(C)([NH3+])CNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419425592 1194026799 /nfs/dbraw/zinc/02/67/99/1194026799.db2.gz WCSMDAUEDHJLKP-UHFFFAOYSA-N 1 3 375.517 0.164 20 0 GCADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419427138 1194027421 /nfs/dbraw/zinc/02/74/21/1194027421.db2.gz YOICSTYSWLJREV-AEFFLSMTSA-N 1 3 375.517 0.192 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419427176 1194027750 /nfs/dbraw/zinc/02/77/50/1194027750.db2.gz YTUZSNOGOCLUBF-MOPGFXCFSA-N 1 3 387.528 0.335 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NCCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000419411404 1194029690 /nfs/dbraw/zinc/02/96/90/1194029690.db2.gz BNHMPGPNGLRHNN-SFHVURJKSA-N 1 3 375.517 0.337 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419411948 1194030241 /nfs/dbraw/zinc/03/02/41/1194030241.db2.gz CJHGETAAOQRYBA-MOPGFXCFSA-N 1 3 387.528 0.335 20 0 GCADHO COCCN(C)CCOc1cccc(CNC(=O)C(=O)N2CCC([NH3+])CC2)c1 ZINC000419509546 1194048237 /nfs/dbraw/zinc/04/82/37/1194048237.db2.gz TZXOWMLZOGCDPZ-UHFFFAOYSA-N 1 3 392.500 0.210 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N[C@@H](C)C[NH3+])CC2)c1 ZINC000419518552 1194052495 /nfs/dbraw/zinc/05/24/95/1194052495.db2.gz YYCNDXGUQSYKEG-KRWDZBQOSA-N 1 3 375.517 0.477 20 0 GCADHO C[C@H](CO)CCCNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419574464 1194059201 /nfs/dbraw/zinc/05/92/01/1194059201.db2.gz SMGDRLCLGHJQIP-KRWDZBQOSA-N 1 3 390.528 0.621 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCSC1 ZINC000419579351 1194059722 /nfs/dbraw/zinc/05/97/22/1194059722.db2.gz HAFCXCRUOSYWLW-GMBSWORKSA-N 1 3 394.516 0.632 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CCSC1 ZINC000419577737 1194060099 /nfs/dbraw/zinc/06/00/99/1194060099.db2.gz DWGLSLQSTUFILU-GJYPPUQNSA-N 1 3 398.573 0.285 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419594718 1194067553 /nfs/dbraw/zinc/06/75/53/1194067553.db2.gz UYPWPQDQIQHJJZ-KURKYZTESA-N 1 3 380.533 0.722 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419595851 1194068140 /nfs/dbraw/zinc/06/81/40/1194068140.db2.gz XKMWBJGADKRYNQ-FGTMMUONSA-N 1 3 380.533 0.722 20 0 GCADHO O=C(NCCN1CC[NH2+]CC1)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419671487 1194079232 /nfs/dbraw/zinc/07/92/32/1194079232.db2.gz HDJRHSOPECQZNM-UHFFFAOYSA-N 1 3 379.549 0.170 20 0 GCADHO C[C@@H](Cn1ccnc1)NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419692401 1194086443 /nfs/dbraw/zinc/08/64/43/1194086443.db2.gz YEYYOVHKDPRIKK-KRWDZBQOSA-N 1 3 398.511 0.498 20 0 GCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000419742676 1194094898 /nfs/dbraw/zinc/09/48/98/1194094898.db2.gz FARTXJSWBLDLAM-SFHVURJKSA-N 1 3 390.528 0.749 20 0 GCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000419751013 1194097030 /nfs/dbraw/zinc/09/70/30/1194097030.db2.gz TYFMTQCZCWMFIP-SFHVURJKSA-N 1 3 390.528 0.893 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000419760275 1194100797 /nfs/dbraw/zinc/10/07/97/1194100797.db2.gz ZIXVMSDBNOKGIP-SFHVURJKSA-N 1 3 394.560 0.983 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419858019 1194123065 /nfs/dbraw/zinc/12/30/65/1194123065.db2.gz KVNGCUTUNAXZAX-AWEZNQCLSA-N 1 3 382.455 0.971 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419858418 1194123146 /nfs/dbraw/zinc/12/31/46/1194123146.db2.gz LUBLFODBAROKRI-OAHLLOKOSA-N 1 3 382.455 0.971 20 0 GCADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863718 1194125780 /nfs/dbraw/zinc/12/57/80/1194125780.db2.gz IBGFZKPUSUGMKU-PKOBYXMFSA-N 1 3 387.528 0.035 20 0 GCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419869734 1194127448 /nfs/dbraw/zinc/12/74/48/1194127448.db2.gz JQOHXHJCEJYMKQ-NZSAHSFTSA-N 1 3 388.512 0.857 20 0 GCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419869729 1194127488 /nfs/dbraw/zinc/12/74/88/1194127488.db2.gz JQOHXHJCEJYMKQ-NEWSRXKRSA-N 1 3 388.512 0.857 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419874512 1194129495 /nfs/dbraw/zinc/12/94/95/1194129495.db2.gz ZUEUGJOLNSCQLH-SCTDSRPQSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H](NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419878243 1194130289 /nfs/dbraw/zinc/13/02/89/1194130289.db2.gz FZPYTLOIQQMANF-SFNKJDCFSA-N 1 3 394.560 0.839 20 0 GCADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000419905693 1194136215 /nfs/dbraw/zinc/13/62/15/1194136215.db2.gz WIFWBZLNTNTMAA-OALUTQOASA-N 1 3 388.512 0.811 20 0 GCADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000419908124 1194141190 /nfs/dbraw/zinc/14/11/90/1194141190.db2.gz YFESZVYUAHEDPP-OALUTQOASA-N 1 3 388.512 0.810 20 0 GCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000419984793 1194147563 /nfs/dbraw/zinc/14/75/63/1194147563.db2.gz AKHZPKBJFFHNET-KRWDZBQOSA-N 1 3 375.517 0.116 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419960516 1194148117 /nfs/dbraw/zinc/14/81/17/1194148117.db2.gz WGAFXBDYQDYCJI-FUHWJXTLSA-N 1 3 375.517 0.866 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419976999 1194151148 /nfs/dbraw/zinc/15/11/48/1194151148.db2.gz MGFVQLQPYBSUJM-KSZLIROESA-N 1 3 394.560 0.840 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419980589 1194151978 /nfs/dbraw/zinc/15/19/78/1194151978.db2.gz RANAVTOFHPABOK-QZTJIDSGSA-N 1 3 375.517 0.994 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420062787 1194165009 /nfs/dbraw/zinc/16/50/09/1194165009.db2.gz NCQTYWXXPRELLV-WMLDXEAASA-N 1 3 394.491 0.945 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420062780 1194165070 /nfs/dbraw/zinc/16/50/70/1194165070.db2.gz NCQTYWXXPRELLV-PBHICJAKSA-N 1 3 394.491 0.945 20 0 GCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420038946 1194166298 /nfs/dbraw/zinc/16/62/98/1194166298.db2.gz NKMVJZDCNYDGJV-OAGGEKHMSA-N 1 3 384.521 0.175 20 0 GCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000420136969 1194184675 /nfs/dbraw/zinc/18/46/75/1194184675.db2.gz WPNIVUVAPNGNRA-VUHPKUFZSA-N 1 3 394.560 0.981 20 0 GCADHO NC1(CNC(=O)C(=O)N2CCO[C@H](CF)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000420198353 1194202287 /nfs/dbraw/zinc/20/22/87/1194202287.db2.gz CFKAKRVUTJGQGY-QGZVFWFLSA-N 1 3 392.475 0.293 20 0 GCADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420198988 1194202374 /nfs/dbraw/zinc/20/23/74/1194202374.db2.gz MYRIHKUXCMUVJN-MOPGFXCFSA-N 1 3 388.512 0.462 20 0 GCADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420198988 1194202377 /nfs/dbraw/zinc/20/23/77/1194202377.db2.gz MYRIHKUXCMUVJN-MOPGFXCFSA-N 1 3 388.512 0.462 20 0 GCADHO CC[C@@H]1CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000420202480 1194203562 /nfs/dbraw/zinc/20/35/62/1194203562.db2.gz JIPWQHUMVDOWGS-GOSISDBHSA-N 1 3 388.512 0.734 20 0 GCADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420204028 1194204698 /nfs/dbraw/zinc/20/46/98/1194204698.db2.gz QQHMGMUHUTYOAC-OAHLLOKOSA-N 1 3 382.530 0.523 20 0 GCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000420203899 1194204739 /nfs/dbraw/zinc/20/47/39/1194204739.db2.gz LLWYFULBJBURKR-GVDBMIGSSA-N 1 3 376.501 0.983 20 0 GCADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420207233 1194205224 /nfs/dbraw/zinc/20/52/24/1194205224.db2.gz TWMBLNAJHBIYHP-NEWSRXKRSA-N 1 3 388.512 0.603 20 0 GCADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420207233 1194205228 /nfs/dbraw/zinc/20/52/28/1194205228.db2.gz TWMBLNAJHBIYHP-NEWSRXKRSA-N 1 3 388.512 0.603 20 0 GCADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420207234 1194205272 /nfs/dbraw/zinc/20/52/72/1194205272.db2.gz TWMBLNAJHBIYHP-NZSAHSFTSA-N 1 3 388.512 0.603 20 0 GCADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420207234 1194205274 /nfs/dbraw/zinc/20/52/74/1194205274.db2.gz TWMBLNAJHBIYHP-NZSAHSFTSA-N 1 3 388.512 0.603 20 0 GCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501592810 1194206749 /nfs/dbraw/zinc/20/67/49/1194206749.db2.gz XBTJAWGLNLWVDD-UHOSZYNNSA-N 1 3 392.544 0.689 20 0 GCADHO C[C@H]1C[C@H](O)CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420209598 1194211552 /nfs/dbraw/zinc/21/15/52/1194211552.db2.gz TYYRNXUXPGXIRM-WMZOPIPTSA-N 1 3 388.512 0.325 20 0 GCADHO NC1(CNC(=O)C(=O)N2CCC[C@@H]2CCO)CC[NH+](Cc2ccccc2)CC1 ZINC000420210176 1194212286 /nfs/dbraw/zinc/21/22/86/1194212286.db2.gz UKKWKCCDFYCSBM-GOSISDBHSA-N 1 3 388.512 0.470 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC[C@@H](C)C1 ZINC000501648606 1194219101 /nfs/dbraw/zinc/21/91/01/1194219101.db2.gz YKDORIXNMGDQGA-KURKYZTESA-N 1 3 394.560 0.840 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCC[C@@H](C)C1 ZINC000501648607 1194219391 /nfs/dbraw/zinc/21/93/91/1194219391.db2.gz YKDORIXNMGDQGA-KZNAEPCWSA-N 1 3 394.560 0.840 20 0 GCADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000501796344 1194231258 /nfs/dbraw/zinc/23/12/58/1194231258.db2.gz QQVXGARICMPWED-UHFFFAOYSA-N 1 3 381.565 0.273 20 0 GCADHO COCCC[NH+]1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000503019323 1194374975 /nfs/dbraw/zinc/37/49/75/1194374975.db2.gz SCFGSSZNTGYMKM-UHFFFAOYSA-N 1 3 395.548 0.437 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422296751 1194607197 /nfs/dbraw/zinc/60/71/97/1194607197.db2.gz HTOQCPUSSRSDCC-INIZCTEOSA-N 1 3 382.549 0.933 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422296751 1194607199 /nfs/dbraw/zinc/60/71/99/1194607199.db2.gz HTOQCPUSSRSDCC-INIZCTEOSA-N 1 3 382.549 0.933 20 0 GCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000422305932 1194616067 /nfs/dbraw/zinc/61/60/67/1194616067.db2.gz YEWIHKZVDNYVNB-UHFFFAOYSA-N 1 3 396.557 0.459 20 0 GCADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1CN ZINC000422642514 1194681148 /nfs/dbraw/zinc/68/11/48/1194681148.db2.gz ZMIUTWBFIVGNEY-HLLBOEOZSA-N 1 3 396.557 0.688 20 0 GCADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1CN ZINC000422642514 1194681150 /nfs/dbraw/zinc/68/11/50/1194681150.db2.gz ZMIUTWBFIVGNEY-HLLBOEOZSA-N 1 3 396.557 0.688 20 0 GCADHO C[C@@H]1C[C@H](C)N(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422642514 1194681152 /nfs/dbraw/zinc/68/11/52/1194681152.db2.gz ZMIUTWBFIVGNEY-HLLBOEOZSA-N 1 3 396.557 0.688 20 0 GCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000414715118 1194723753 /nfs/dbraw/zinc/72/37/53/1194723753.db2.gz XOAWHKSRKABNNB-LJQANCHMSA-N 1 3 396.491 0.880 20 0 GCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000423161290 1194734504 /nfs/dbraw/zinc/73/45/04/1194734504.db2.gz IQJZZBXAMVCVOJ-MOPGFXCFSA-N 1 3 387.528 0.962 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423163784 1194734646 /nfs/dbraw/zinc/73/46/46/1194734646.db2.gz NJAKHHFCKBOTBN-QZTJIDSGSA-N 1 3 389.500 0.081 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423164697 1194734749 /nfs/dbraw/zinc/73/47/49/1194734749.db2.gz OXILWHVEPNXRDD-AEFFLSMTSA-N 1 3 376.476 0.926 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423208602 1194736638 /nfs/dbraw/zinc/73/66/38/1194736638.db2.gz TVUPVUHXPPXWCM-GASCZTMLSA-N 1 3 380.439 0.533 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423200295 1194738697 /nfs/dbraw/zinc/73/86/97/1194738697.db2.gz FJHPNSOBQABMIM-IRXDYDNUSA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423199943 1194738960 /nfs/dbraw/zinc/73/89/60/1194738960.db2.gz CYTKSHHGEILYGS-SJLPKXTDSA-N 1 3 376.476 0.926 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423220001 1194741196 /nfs/dbraw/zinc/74/11/96/1194741196.db2.gz XPTFPVDAOFUNCL-SQNIBIBYSA-N 1 3 380.533 0.404 20 0 GCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)CCO1 ZINC000423233365 1194742502 /nfs/dbraw/zinc/74/25/02/1194742502.db2.gz OFPWVTVCQQGJAY-IBGZPJMESA-N 1 3 388.512 0.340 20 0 GCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000423260943 1194742805 /nfs/dbraw/zinc/74/28/05/1194742805.db2.gz IVTOIRCFPRZHDA-UHFFFAOYSA-N 1 3 389.544 0.331 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000423257666 1194743958 /nfs/dbraw/zinc/74/39/58/1194743958.db2.gz AAOHBGBJVBQIKU-IEBWSBKVSA-N 1 3 387.528 0.068 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1)Cc1ccccc1 ZINC000423270025 1194745361 /nfs/dbraw/zinc/74/53/61/1194745361.db2.gz WHAKPZNGNBFUTQ-UHFFFAOYSA-N 1 3 387.528 0.212 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000423471258 1194758693 /nfs/dbraw/zinc/75/86/93/1194758693.db2.gz FDCQEAZSAVAQQO-WBVHZDCISA-N 1 3 376.501 0.781 20 0 GCADHO C[NH2+]C1CCN(C(=O)C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000423497678 1194760908 /nfs/dbraw/zinc/76/09/08/1194760908.db2.gz HFQLMHPUKKBLED-IRXDYDNUSA-N 1 3 394.560 0.935 20 0 GCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423495090 1194761013 /nfs/dbraw/zinc/76/10/13/1194761013.db2.gz BPNWPBHLZIMUFB-SCTDSRPQSA-N 1 3 394.560 0.935 20 0 GCADHO O=C(C(=O)N1CCCNCC1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423606958 1194772397 /nfs/dbraw/zinc/77/23/97/1194772397.db2.gz ISOHKMCQZYMYDH-HXUWFJFHSA-N 1 3 399.539 0.227 20 0 GCADHO O=C(C(=O)N1CCCNCC1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423606958 1194772399 /nfs/dbraw/zinc/77/23/99/1194772399.db2.gz ISOHKMCQZYMYDH-HXUWFJFHSA-N 1 3 399.539 0.227 20 0 GCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423619022 1194774383 /nfs/dbraw/zinc/77/43/83/1194774383.db2.gz XYOAKYACZQHHSF-QGZVFWFLSA-N 1 3 393.557 0.144 20 0 GCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423656117 1194779896 /nfs/dbraw/zinc/77/98/96/1194779896.db2.gz TZLWLNPYDQCDQO-FAJBIJEISA-N 1 3 394.560 0.920 20 0 GCADHO CCCN(C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423660703 1194780858 /nfs/dbraw/zinc/78/08/58/1194780858.db2.gz KSHHCWACXZDUMA-ZIFCJYIRSA-N 1 3 394.560 0.935 20 0 GCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000423715906 1194788065 /nfs/dbraw/zinc/78/80/65/1194788065.db2.gz HYEXJQVGWXIHRP-QGZVFWFLSA-N 1 3 375.517 0.068 20 0 GCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000414796078 1194822536 /nfs/dbraw/zinc/82/25/36/1194822536.db2.gz BRGKXQVAUFNLHD-UHFFFAOYSA-N 1 3 387.484 0.111 20 0 GCADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414817518 1194830602 /nfs/dbraw/zinc/83/06/02/1194830602.db2.gz SGWMRJDQRMHHQA-UHFFFAOYSA-N 1 3 392.500 0.924 20 0 GCADHO C[C@H](CN1CCOCC1)N(C)CC1(C[N@H+](C)[C@@H](C)CN2CCOCC2)COC1 ZINC000434715350 1194862347 /nfs/dbraw/zinc/86/23/47/1194862347.db2.gz XWZNBMAUJBEDNJ-BGYRXZFFSA-N 1 3 398.592 0.308 20 0 GCADHO C[C@H](CN1CCOCC1)N(C)CC1(C[N@@H+](C)[C@@H](C)CN2CCOCC2)COC1 ZINC000434715350 1194862349 /nfs/dbraw/zinc/86/23/49/1194862349.db2.gz XWZNBMAUJBEDNJ-BGYRXZFFSA-N 1 3 398.592 0.308 20 0 GCADHO C[C@H](CN1CCOCC1)[N@@H+](C)CC1(CN(C)[C@@H](C)CN2CCOCC2)COC1 ZINC000434715350 1194862351 /nfs/dbraw/zinc/86/23/51/1194862351.db2.gz XWZNBMAUJBEDNJ-BGYRXZFFSA-N 1 3 398.592 0.308 20 0 GCADHO C[C@H](CN1CCOCC1)[N@H+](C)CC1(CN(C)[C@@H](C)CN2CCOCC2)COC1 ZINC000434715350 1194862352 /nfs/dbraw/zinc/86/23/52/1194862352.db2.gz XWZNBMAUJBEDNJ-BGYRXZFFSA-N 1 3 398.592 0.308 20 0 GCADHO CCOC(=O)Cn1cc(C[NH2+]CC2(O)CCN(C)CC2)c(-c2cnn(C)c2)n1 ZINC000894303041 1194878283 /nfs/dbraw/zinc/87/82/83/1194878283.db2.gz GBTUFROZEFMODB-UHFFFAOYSA-N 1 3 390.488 0.393 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000514693990 1194895235 /nfs/dbraw/zinc/89/52/35/1194895235.db2.gz UKWTYYLCXXIZMC-MJGOQNOKSA-N 1 3 391.560 0.380 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000514693990 1194895238 /nfs/dbraw/zinc/89/52/38/1194895238.db2.gz UKWTYYLCXXIZMC-MJGOQNOKSA-N 1 3 391.560 0.380 20 0 GCADHO C[NH+](C)CCCOc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000515073863 1194945526 /nfs/dbraw/zinc/94/55/26/1194945526.db2.gz LPPQSZYMXSYWLV-SJLPKXTDSA-N 1 3 389.500 0.471 20 0 GCADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000638276847 1195019011 /nfs/dbraw/zinc/01/90/11/1195019011.db2.gz QAWPMQOWSWAJIG-UHFFFAOYSA-N 1 3 388.512 0.584 20 0 GCADHO COC[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000438353486 1195210975 /nfs/dbraw/zinc/21/09/75/1195210975.db2.gz BRMNNRADOCIYAK-ADHGMGHFSA-N 1 3 382.549 0.979 20 0 GCADHO COC[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000438353486 1195210978 /nfs/dbraw/zinc/21/09/78/1195210978.db2.gz BRMNNRADOCIYAK-ADHGMGHFSA-N 1 3 382.549 0.979 20 0 GCADHO COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1=O ZINC000517907231 1195229571 /nfs/dbraw/zinc/22/95/71/1195229571.db2.gz XULAVWDTAAPQSR-SFHVURJKSA-N 1 3 376.501 0.657 20 0 GCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000414969346 1195270203 /nfs/dbraw/zinc/27/02/03/1195270203.db2.gz FBQRCZDERPCCGL-QGZVFWFLSA-N 1 3 387.484 0.110 20 0 GCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000414976082 1195277063 /nfs/dbraw/zinc/27/70/63/1195277063.db2.gz NJKRUDXHGYNIJP-QGZVFWFLSA-N 1 3 387.484 0.110 20 0 GCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000414978936 1195284402 /nfs/dbraw/zinc/28/44/02/1195284402.db2.gz SVGRLJFOKKXXIU-KRWDZBQOSA-N 1 3 387.484 0.110 20 0 GCADHO CN1CCC[C@@H]1CNC(=O)C1(CC(=O)NC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC000426434370 1195335060 /nfs/dbraw/zinc/33/50/60/1195335060.db2.gz YEYOOPHIGMTGQN-DLBZAZTESA-N 1 3 380.533 0.594 20 0 GCADHO CN1CCC[C@@H]1CNC(=O)C1(CC(=O)NC[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC000426434370 1195335063 /nfs/dbraw/zinc/33/50/63/1195335063.db2.gz YEYOOPHIGMTGQN-DLBZAZTESA-N 1 3 380.533 0.594 20 0 GCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000550300421 1195554118 /nfs/dbraw/zinc/55/41/18/1195554118.db2.gz ZSCHDXMMALGNLG-UHFFFAOYSA-N 1 3 381.565 0.319 20 0 GCADHO CN(C(=O)c1ccc2c[nH+]cn2c1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000328800338 1195669061 /nfs/dbraw/zinc/66/90/61/1195669061.db2.gz IFNDQONRQITEAN-UHFFFAOYSA-N 1 3 398.511 0.645 20 0 GCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)o1 ZINC000189366064 1195746424 /nfs/dbraw/zinc/74/64/24/1195746424.db2.gz PBGISTMQAKMKJI-UHFFFAOYSA-N 1 3 390.488 0.875 20 0 GCADHO CN1CCN(CCC(C)(C)NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000474027800 1195932783 /nfs/dbraw/zinc/93/27/83/1195932783.db2.gz AESCSUPTULZNRQ-KRWDZBQOSA-N 1 3 396.580 0.289 20 0 GCADHO CN1CCN(CCC(C)(C)NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000474027800 1195932785 /nfs/dbraw/zinc/93/27/85/1195932785.db2.gz AESCSUPTULZNRQ-KRWDZBQOSA-N 1 3 396.580 0.289 20 0 GCADHO COc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc(OC)c1OCC(N)=O ZINC000521435872 1195996408 /nfs/dbraw/zinc/99/64/08/1195996408.db2.gz CPLBTTMKAOXZKA-BEFAXECRSA-N 1 3 393.484 0.896 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCC[N@H+](C)C3CCCC3)C2)CC1 ZINC000521480979 1195999194 /nfs/dbraw/zinc/99/91/94/1195999194.db2.gz CPYPREWITWORLW-LJQANCHMSA-N 1 3 393.576 0.604 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CCCC3)C2)CC1 ZINC000521480979 1195999195 /nfs/dbraw/zinc/99/91/95/1195999195.db2.gz CPYPREWITWORLW-LJQANCHMSA-N 1 3 393.576 0.604 20 0 GCADHO CCOCCCN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000469764984 1196022605 /nfs/dbraw/zinc/02/26/05/1196022605.db2.gz QRBPNUWZLHTLSW-WBVHZDCISA-N 1 3 387.550 0.425 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCN3C(=O)CNC3=O)CC2)CC1 ZINC000521896932 1196024764 /nfs/dbraw/zinc/02/47/64/1196024764.db2.gz YPSZBKNZEZGSKA-UHFFFAOYSA-N 1 3 379.505 0.241 20 0 GCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000114591365 1196106651 /nfs/dbraw/zinc/10/66/51/1196106651.db2.gz BLPICGWGVFJQKI-RTBURBONSA-N 1 3 383.581 0.796 20 0 GCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000114591365 1196106653 /nfs/dbraw/zinc/10/66/53/1196106653.db2.gz BLPICGWGVFJQKI-RTBURBONSA-N 1 3 383.581 0.796 20 0 GCADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000114591366 1196106722 /nfs/dbraw/zinc/10/67/22/1196106722.db2.gz BLPICGWGVFJQKI-RBUKOAKNSA-N 1 3 383.581 0.796 20 0 GCADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000114591366 1196106725 /nfs/dbraw/zinc/10/67/25/1196106725.db2.gz BLPICGWGVFJQKI-RBUKOAKNSA-N 1 3 383.581 0.796 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000474374411 1196112731 /nfs/dbraw/zinc/11/27/31/1196112731.db2.gz OZFJFKAZOSZKEU-UHFFFAOYSA-N 1 3 381.565 0.693 20 0 GCADHO CCN1CCC([NH+]2CCC(C(=O)N[C@@H](C)[C@@H]3CN(C)CCN3C)CC2)CC1 ZINC000896539739 1196156888 /nfs/dbraw/zinc/15/68/88/1196156888.db2.gz BFTQFCBEJJKVHG-PXNSSMCTSA-N 1 3 379.593 0.933 20 0 GCADHO CCO[C@@H]1C[C@@](N)(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000444272351 1196370213 /nfs/dbraw/zinc/37/02/13/1196370213.db2.gz VXHOMAUTMGYCJJ-RDTXWAMCSA-N 1 3 380.493 0.032 20 0 GCADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)CN1CCN(C)CC1 ZINC000446050316 1196610461 /nfs/dbraw/zinc/61/04/61/1196610461.db2.gz FTFMJLUVEUJQKK-QGZVFWFLSA-N 1 3 389.544 0.729 20 0 GCADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000446363581 1196637979 /nfs/dbraw/zinc/63/79/79/1196637979.db2.gz NIAQBLCNOLHJKR-MDYRTPRTSA-N 1 3 378.517 0.286 20 0 GCADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000446371163 1196638665 /nfs/dbraw/zinc/63/86/65/1196638665.db2.gz OJUHBNURKLEPBU-SIXWZSSISA-N 1 3 392.504 0.032 20 0 GCADHO C[NH+](C)[C@H](CNC(=O)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1 ZINC000429714700 1196692465 /nfs/dbraw/zinc/69/24/65/1196692465.db2.gz HCGKZHPMNBBYSD-KZNAEPCWSA-N 1 3 396.557 0.856 20 0 GCADHO COC(=O)c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000525882624 1196720357 /nfs/dbraw/zinc/72/03/57/1196720357.db2.gz RQIHLQJDKHOBNA-UHFFFAOYSA-N 1 3 378.473 0.672 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000526964553 1196752788 /nfs/dbraw/zinc/75/27/88/1196752788.db2.gz OEFRSANCPAHNHR-UHFFFAOYSA-N 1 3 387.488 0.372 20 0 GCADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000448149282 1196777721 /nfs/dbraw/zinc/77/77/21/1196777721.db2.gz VFUKJFMIKGQBAZ-SFHVURJKSA-N 1 3 383.581 0.796 20 0 GCADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000448149282 1196777724 /nfs/dbraw/zinc/77/77/24/1196777724.db2.gz VFUKJFMIKGQBAZ-SFHVURJKSA-N 1 3 383.581 0.796 20 0 GCADHO COC(=O)c1ccc(C)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000527374314 1196784157 /nfs/dbraw/zinc/78/41/57/1196784157.db2.gz SRQSIKISFIKGFN-UHFFFAOYSA-N 1 3 378.473 0.672 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000527374234 1196784335 /nfs/dbraw/zinc/78/43/35/1196784335.db2.gz LJRTZPLVXQVPHA-UHFFFAOYSA-N 1 3 384.864 0.959 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528712125 1196880048 /nfs/dbraw/zinc/88/00/48/1196880048.db2.gz BRFZQSGDXBMWHF-UHFFFAOYSA-N 1 3 387.484 0.941 20 0 GCADHO C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000530567124 1196996729 /nfs/dbraw/zinc/99/67/29/1196996729.db2.gz ALBLISOZMVTDLW-HNNXBMFYSA-N 1 3 389.500 0.973 20 0 GCADHO CN1CCN(Cc2ccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)cc2)CC1 ZINC000530572107 1196997377 /nfs/dbraw/zinc/99/73/77/1196997377.db2.gz IMEALGLKZMUMJZ-GOSISDBHSA-N 1 3 387.528 0.783 20 0 GCADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453805517 1197139051 /nfs/dbraw/zinc/13/90/51/1197139051.db2.gz LSGIYXAVERJQAU-KRWDZBQOSA-N 1 3 376.501 0.692 20 0 GCADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000532448043 1197299066 /nfs/dbraw/zinc/29/90/66/1197299066.db2.gz CYDUWPSVTJLGNZ-DLBZAZTESA-N 1 3 381.546 0.463 20 0 GCADHO CCN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105319301 1197326713 /nfs/dbraw/zinc/32/67/13/1197326713.db2.gz ICXAGVSEVRSMDT-RTBURBONSA-N 1 3 393.576 0.463 20 0 GCADHO CCN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105319301 1197326716 /nfs/dbraw/zinc/32/67/16/1197326716.db2.gz ICXAGVSEVRSMDT-RTBURBONSA-N 1 3 393.576 0.463 20 0 GCADHO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000332969890 1197348373 /nfs/dbraw/zinc/34/83/73/1197348373.db2.gz LHYDNIBUAMVZFB-IRXDYDNUSA-N 1 3 381.521 0.045 20 0 GCADHO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000332969890 1197348375 /nfs/dbraw/zinc/34/83/75/1197348375.db2.gz LHYDNIBUAMVZFB-IRXDYDNUSA-N 1 3 381.521 0.045 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3C(=O)NC3CC3)CC2)CC1 ZINC000127494299 1197361411 /nfs/dbraw/zinc/36/14/11/1197361411.db2.gz YQOLGLMBPKFRCU-SFHVURJKSA-N 1 3 377.533 0.998 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CCn3nnc4ccccc4c3=O)CC2)CC1 ZINC000050800482 1197381010 /nfs/dbraw/zinc/38/10/10/1197381010.db2.gz VYTQLBKTGKQDBE-UHFFFAOYSA-N 1 3 398.511 0.856 20 0 GCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCCN3C(=O)NC(C)(C)C3=O)[C@@H]2C)CC[N@@H+]1C ZINC001088577732 1197396836 /nfs/dbraw/zinc/39/68/36/1197396836.db2.gz LRTOCQCFCNDIIL-FPCVCCKLSA-N 1 3 393.532 0.626 20 0 GCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCCN3C(=O)NC(C)(C)C3=O)[C@@H]2C)CC[N@H+]1C ZINC001088577732 1197396840 /nfs/dbraw/zinc/39/68/40/1197396840.db2.gz LRTOCQCFCNDIIL-FPCVCCKLSA-N 1 3 393.532 0.626 20 0 GCADHO COCC[NH2+]CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000237168503 1197401396 /nfs/dbraw/zinc/40/13/96/1197401396.db2.gz YFZVRXCXPHYWKJ-GOSISDBHSA-N 1 3 375.517 0.678 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419347127 1197417699 /nfs/dbraw/zinc/41/76/99/1197417699.db2.gz WICAMVQUBWGDTG-IBGZPJMESA-N 1 3 387.528 0.309 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)c1 ZINC000419512375 1197421069 /nfs/dbraw/zinc/42/10/69/1197421069.db2.gz JOOJTXDPYOYJFO-SFHVURJKSA-N 1 3 387.528 0.573 20 0 GCADHO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000520796648 1197449104 /nfs/dbraw/zinc/44/91/04/1197449104.db2.gz XEHVSYUJOXEUKZ-VNTMZGSJSA-N 1 3 382.508 0.787 20 0 GCADHO CCN1CCN(CCC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261873036 1197516988 /nfs/dbraw/zinc/51/69/88/1197516988.db2.gz OICYGGKGUZHAQH-QZTJIDSGSA-N 1 3 379.549 0.121 20 0 GCADHO CN(C)Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000262007202 1197522264 /nfs/dbraw/zinc/52/22/64/1197522264.db2.gz GZDVNQUMFWPFCF-MRXNPFEDSA-N 1 3 382.530 0.756 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013532 1199005432 /nfs/dbraw/zinc/00/54/32/1199005432.db2.gz FETASLUNYQKHKS-OAHLLOKOSA-N 1 3 382.549 0.839 20 0 GCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)C2)C1 ZINC000656028635 1199065835 /nfs/dbraw/zinc/06/58/35/1199065835.db2.gz NZTBEZPTMQTUSI-GFEQUFNTSA-N 1 3 392.544 0.864 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672204344 1199159157 /nfs/dbraw/zinc/15/91/57/1199159157.db2.gz LPDQRVYMKYARFI-QZTJIDSGSA-N 1 3 379.549 0.215 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672204344 1199159159 /nfs/dbraw/zinc/15/91/59/1199159159.db2.gz LPDQRVYMKYARFI-QZTJIDSGSA-N 1 3 379.549 0.215 20 0 GCADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000465926062 1199183252 /nfs/dbraw/zinc/18/32/52/1199183252.db2.gz HFSBOLYQNNQZFL-OALUTQOASA-N 1 3 381.565 0.645 20 0 GCADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000465926062 1199183255 /nfs/dbraw/zinc/18/32/55/1199183255.db2.gz HFSBOLYQNNQZFL-OALUTQOASA-N 1 3 381.565 0.645 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)[C@@H](C)C1 ZINC000672311219 1199201325 /nfs/dbraw/zinc/20/13/25/1199201325.db2.gz BALXTPFAOIKMOU-WDSOQIARSA-N 1 3 394.560 0.840 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)[C@@H](C)C1 ZINC000672311219 1199201327 /nfs/dbraw/zinc/20/13/27/1199201327.db2.gz BALXTPFAOIKMOU-WDSOQIARSA-N 1 3 394.560 0.840 20 0 GCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672311567 1199205002 /nfs/dbraw/zinc/20/50/02/1199205002.db2.gz JDGFXQXDHXRFQK-QZTJIDSGSA-N 1 3 380.533 0.546 20 0 GCADHO CCN1CCN(C[C@@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952941 1199218775 /nfs/dbraw/zinc/21/87/75/1199218775.db2.gz SGFWBGSUMHFOJT-ZWKOTPCHSA-N 1 3 396.580 0.147 20 0 GCADHO CCN1CCN(C[C@@H](C)CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952941 1199218778 /nfs/dbraw/zinc/21/87/78/1199218778.db2.gz SGFWBGSUMHFOJT-ZWKOTPCHSA-N 1 3 396.580 0.147 20 0 GCADHO CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1CCN(C)CC1 ZINC000465957397 1199226313 /nfs/dbraw/zinc/22/63/13/1199226313.db2.gz QBBSQWMYAHMWAB-MSOLQXFVSA-N 1 3 396.580 0.145 20 0 GCADHO CC(C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1CCN(C)CC1 ZINC000465957397 1199226314 /nfs/dbraw/zinc/22/63/14/1199226314.db2.gz QBBSQWMYAHMWAB-MSOLQXFVSA-N 1 3 396.580 0.145 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000672442736 1199234581 /nfs/dbraw/zinc/23/45/81/1199234581.db2.gz LJVWSMSLDOLBPJ-MRXNPFEDSA-N 1 3 382.549 0.981 20 0 GCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000672696163 1199316115 /nfs/dbraw/zinc/31/61/15/1199316115.db2.gz UBTZMZIRGURHQN-QGZVFWFLSA-N 1 3 382.549 0.936 20 0 GCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000672690093 1199316635 /nfs/dbraw/zinc/31/66/35/1199316635.db2.gz NIRRTICCWWMXHF-DLBZAZTESA-N 1 3 380.533 0.594 20 0 GCADHO C[NH+]1CCN(c2cc(CNC(=O)N3CCN(CCO)C(C)(C)C3)ccn2)CC1 ZINC000672712995 1199322243 /nfs/dbraw/zinc/32/22/43/1199322243.db2.gz JORVRTWOVQNZHU-UHFFFAOYSA-N 1 3 390.532 0.432 20 0 GCADHO C[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)CN1CCN(C)CC1 ZINC000466001449 1199335780 /nfs/dbraw/zinc/33/57/80/1199335780.db2.gz XDXCMHICZPWJDI-ZWKOTPCHSA-N 1 3 381.565 0.670 20 0 GCADHO COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000672859989 1199349940 /nfs/dbraw/zinc/34/99/40/1199349940.db2.gz NNJXTHLBKOQCKD-KRWDZBQOSA-N 1 3 392.500 0.587 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000423471878 1199479191 /nfs/dbraw/zinc/47/91/91/1199479191.db2.gz FORRAJKFCACWJK-NRFANRHFSA-N 1 3 388.512 0.940 20 0 GCADHO CN1CCN(Cc2ccc(CNC(=O)NCC3(O)CC[NH+](C)CC3)cc2)CC1 ZINC000265831511 1199541638 /nfs/dbraw/zinc/54/16/38/1199541638.db2.gz DTUNOTYXCCWUFV-UHFFFAOYSA-N 1 3 389.544 0.690 20 0 GCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CCCO1 ZINC000673428058 1199630131 /nfs/dbraw/zinc/63/01/31/1199630131.db2.gz UVMHMFFXZSCFPB-QGZVFWFLSA-N 1 3 394.516 0.787 20 0 GCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CCCO1 ZINC000673428058 1199630136 /nfs/dbraw/zinc/63/01/36/1199630136.db2.gz UVMHMFFXZSCFPB-QGZVFWFLSA-N 1 3 394.516 0.787 20 0 GCADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000157467314 1199918326 /nfs/dbraw/zinc/91/83/26/1199918326.db2.gz ILYDWOPKRZFWHP-MSOLQXFVSA-N 1 3 382.549 0.839 20 0 GCADHO CN1CCN(CCCCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000568157921 1200677196 /nfs/dbraw/zinc/67/71/96/1200677196.db2.gz ZARNNUHUWGEGTM-UHFFFAOYSA-N 1 3 377.537 1.299 20 0 GCADHO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000603771440 1200863374 /nfs/dbraw/zinc/86/33/74/1200863374.db2.gz KLIYWPJFNKXNLP-KRWDZBQOSA-N 1 3 398.467 0.919 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC001079152530 1201247055 /nfs/dbraw/zinc/24/70/55/1201247055.db2.gz PYAVETZUZZPEJF-NKGKWGDASA-N 1 3 376.476 0.925 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NCC(N)=O)C2)CC[N@H+]1C ZINC001079152530 1201247058 /nfs/dbraw/zinc/24/70/58/1201247058.db2.gz PYAVETZUZZPEJF-NKGKWGDASA-N 1 3 376.476 0.925 20 0 GCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000731502086 1201486038 /nfs/dbraw/zinc/48/60/38/1201486038.db2.gz GJQWYYJNXWFQCU-SJORKVTESA-N 1 3 381.521 0.092 20 0 GCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000735588758 1201693970 /nfs/dbraw/zinc/69/39/70/1201693970.db2.gz CKWXUGUKEQSPRR-HZPDHXFCSA-N 1 3 390.484 0.675 20 0 GCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000735588758 1201693971 /nfs/dbraw/zinc/69/39/71/1201693971.db2.gz CKWXUGUKEQSPRR-HZPDHXFCSA-N 1 3 390.484 0.675 20 0 GCADHO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000735592357 1201695072 /nfs/dbraw/zinc/69/50/72/1201695072.db2.gz DRKDLSCVCPMQQJ-SJLPKXTDSA-N 1 3 390.484 0.545 20 0 GCADHO CN(C(=O)COCCOCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(C)C1 ZINC000741623515 1201781986 /nfs/dbraw/zinc/78/19/86/1201781986.db2.gz CSVBWCNQQBPDQW-QZTJIDSGSA-N 1 3 398.548 0.125 20 0 GCADHO CN(C(=O)COCCOCC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(C)C1 ZINC000741623515 1201781992 /nfs/dbraw/zinc/78/19/92/1201781992.db2.gz CSVBWCNQQBPDQW-QZTJIDSGSA-N 1 3 398.548 0.125 20 0 GCADHO COCCN1CC[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000743919366 1201828493 /nfs/dbraw/zinc/82/84/93/1201828493.db2.gz HMYAXGQHXYSTED-INIZCTEOSA-N 1 3 389.500 0.214 20 0 GCADHO C[C@@H]1[C@H](C)N(C(=O)COCCOCC(=O)N2CCN(C)[C@@H](C)[C@@H]2C)CC[N@@H+]1C ZINC000771392753 1202139422 /nfs/dbraw/zinc/13/94/22/1202139422.db2.gz AIFNHGLSSGPWDB-MHORFTMASA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1[C@H](C)N(C(=O)COCCOCC(=O)N2CCN(C)[C@@H](C)[C@@H]2C)CC[N@H+]1C ZINC000771392753 1202139424 /nfs/dbraw/zinc/13/94/24/1202139424.db2.gz AIFNHGLSSGPWDB-MHORFTMASA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1[C@H](C)N(C(=O)COCCOCC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)CCN1C ZINC000771392753 1202139426 /nfs/dbraw/zinc/13/94/26/1202139426.db2.gz AIFNHGLSSGPWDB-MHORFTMASA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1[C@H](C)N(C(=O)COCCOCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)CCN1C ZINC000771392753 1202139428 /nfs/dbraw/zinc/13/94/28/1202139428.db2.gz AIFNHGLSSGPWDB-MHORFTMASA-N 1 3 398.548 0.122 20 0 GCADHO C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cc1ccccc1 ZINC001109977279 1202165152 /nfs/dbraw/zinc/16/51/52/1202165152.db2.gz BTVZGZUCELLKMV-FYQPLNBISA-N 1 3 375.513 0.890 20 0 GCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787668127 1205398271 /nfs/dbraw/zinc/39/82/71/1205398271.db2.gz DAQMWZUEPCHCAH-SJLPKXTDSA-N 1 3 380.533 0.594 20 0 GCADHO C[N@H+](CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CCCCC1 ZINC000787688605 1205398952 /nfs/dbraw/zinc/39/89/52/1205398952.db2.gz KAWQQFXJSAHBPC-ZWKOTPCHSA-N 1 3 380.533 0.737 20 0 GCADHO C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CCCCC1 ZINC000787688605 1205398956 /nfs/dbraw/zinc/39/89/56/1205398956.db2.gz KAWQQFXJSAHBPC-ZWKOTPCHSA-N 1 3 380.533 0.737 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000787703833 1205399040 /nfs/dbraw/zinc/39/90/40/1205399040.db2.gz DNTTXIDMBZXCHZ-XMTFNYHQSA-N 1 3 380.533 0.450 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000787703833 1205399042 /nfs/dbraw/zinc/39/90/42/1205399042.db2.gz DNTTXIDMBZXCHZ-XMTFNYHQSA-N 1 3 380.533 0.450 20 0 GCADHO CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000787893989 1205405173 /nfs/dbraw/zinc/40/51/73/1205405173.db2.gz HJINEBFJJOGUQA-QZTJIDSGSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1nnnn1C1CC1 ZINC000790269223 1205461739 /nfs/dbraw/zinc/46/17/39/1205461739.db2.gz ZHMBUWBLOZDFAI-CYBMUJFWSA-N 1 3 376.509 0.927 20 0 GCADHO Cn1nc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2N)ccc1=O ZINC001170391632 1205491337 /nfs/dbraw/zinc/49/13/37/1205491337.db2.gz CYNISAWBMLSMPY-PUMWCKSCSA-N 1 3 397.520 0.054 20 0 GCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793708613 1205502825 /nfs/dbraw/zinc/50/28/25/1205502825.db2.gz IZGFNAVTFVVUPT-MSOLQXFVSA-N 1 3 382.549 0.936 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CCCCC1 ZINC000793727560 1205503767 /nfs/dbraw/zinc/50/37/67/1205503767.db2.gz UFQPSOPNZFXZRA-NEWSRXKRSA-N 1 3 394.560 0.861 20 0 GCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000793909442 1205509132 /nfs/dbraw/zinc/50/91/32/1205509132.db2.gz GYEBFNJRECSVFJ-IXDOHACOSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000793909442 1205509134 /nfs/dbraw/zinc/50/91/34/1205509134.db2.gz GYEBFNJRECSVFJ-IXDOHACOSA-N 1 3 380.533 0.593 20 0 GCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170563559 1205613572 /nfs/dbraw/zinc/61/35/72/1205613572.db2.gz MGGLHNLVAQICMS-HLLBOEOZSA-N 1 3 394.516 0.976 20 0 GCADHO CN(C)CCN1CCN(C)C2(CC[NH+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC2)C1=O ZINC001172175524 1205713683 /nfs/dbraw/zinc/71/36/83/1205713683.db2.gz SUYVHRVONYCBCY-ZWKOTPCHSA-N 1 3 391.560 0.310 20 0 GCADHO CN(C)CCN1CCN(C)C2(CC[NH+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC2)C1=O ZINC001172175521 1205713857 /nfs/dbraw/zinc/71/38/57/1205713857.db2.gz SUYVHRVONYCBCY-MSOLQXFVSA-N 1 3 391.560 0.310 20 0 GCADHO COC(=O)[C@@H](CN)C[NH2+][C@@H]1C[C@@H](C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1 ZINC001172261922 1205715182 /nfs/dbraw/zinc/71/51/82/1205715182.db2.gz ZHQQCJZNYJATLB-LUKYLMHMSA-N 1 3 392.452 0.635 20 0 GCADHO COc1ccc(CN2CC[C@H](N3CCN(CC[NH3+])CC3)CC2=O)c(OC)c1 ZINC001173025515 1205718412 /nfs/dbraw/zinc/71/84/12/1205718412.db2.gz JGRRBCIRVYIDEU-KRWDZBQOSA-N 1 3 376.501 0.771 20 0 GCADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C1(O)CCN(C)CC1)CCC2 ZINC001182030487 1205853527 /nfs/dbraw/zinc/85/35/27/1205853527.db2.gz DKGQQPCWZURAAE-UHFFFAOYSA-N 1 3 391.516 0.273 20 0 GCADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C1(O)CCN(C)CC1)CCC2 ZINC001182030487 1205853528 /nfs/dbraw/zinc/85/35/28/1205853528.db2.gz DKGQQPCWZURAAE-UHFFFAOYSA-N 1 3 391.516 0.273 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC(F)F)[C@H](O)OC(C)(C)C)C1 ZINC001182967287 1205884214 /nfs/dbraw/zinc/88/42/14/1205884214.db2.gz QQXSTULAENWFCT-GWIBLVFBSA-N 1 3 381.464 0.937 20 0 GCADHO CC[C@H](CO)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001183174057 1205888305 /nfs/dbraw/zinc/88/83/05/1205888305.db2.gz OKVMJPBSJCTINZ-XNKCJZJASA-N 1 3 389.537 0.301 20 0 GCADHO C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185589234 1205924835 /nfs/dbraw/zinc/92/48/35/1205924835.db2.gz RIIGEYIMEYKIQL-UHFFFAOYSA-N 1 3 395.533 0.761 20 0 GCADHO C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185589234 1205924837 /nfs/dbraw/zinc/92/48/37/1205924837.db2.gz RIIGEYIMEYKIQL-UHFFFAOYSA-N 1 3 395.533 0.761 20 0 GCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000774925721 1205928755 /nfs/dbraw/zinc/92/87/55/1205928755.db2.gz VPMHOBPXWPIVRX-CEXWTWQISA-N 1 3 388.512 0.255 20 0 GCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000774925721 1205928756 /nfs/dbraw/zinc/92/87/56/1205928756.db2.gz VPMHOBPXWPIVRX-CEXWTWQISA-N 1 3 388.512 0.255 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001187742749 1205968392 /nfs/dbraw/zinc/96/83/92/1205968392.db2.gz VOJRBOZJXDPCFD-VERFIZQUSA-N 1 3 383.493 0.319 20 0 GCADHO c1cncc(CO[C@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CCN3C2)c1 ZINC001164862832 721096537 /nfs/dbraw/zinc/09/65/37/721096537.db2.gz BBAZJHGPUGQPAP-OALUTQOASA-N 1 3 395.511 0.761 20 0 GCADHO CS(=O)(=O)c1nc2c(c(N3CC4(C3)CCN(CC3CC3)C4)n1)CC[NH2+]CC2 ZINC001164767152 721279014 /nfs/dbraw/zinc/27/90/14/721279014.db2.gz GYEZPQWBVDSVOU-UHFFFAOYSA-N 1 3 391.541 0.490 20 0 GCADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)C12CC[NH+](CC1)C2 ZINC001571260490 945416683 /nfs/dbraw/zinc/41/66/83/945416683.db2.gz UUFZIQHPZIYTNM-OKILXGFUSA-N 1 3 385.447 0.838 20 0 GCADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)C12CC[NH+](CC1)C2 ZINC001571260490 945416688 /nfs/dbraw/zinc/41/66/88/945416688.db2.gz UUFZIQHPZIYTNM-OKILXGFUSA-N 1 3 385.447 0.838 20 0 GCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575091653 951781020 /nfs/dbraw/zinc/78/10/20/951781020.db2.gz TZOPZJJBLXDMNE-OCCSQVGLSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575091653 951781026 /nfs/dbraw/zinc/78/10/26/951781026.db2.gz TZOPZJJBLXDMNE-OCCSQVGLSA-N 1 3 375.452 0.894 20 0 GCADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571190091 952939710 /nfs/dbraw/zinc/93/97/10/952939710.db2.gz FEKGJQLNVHVDAK-AEFFLSMTSA-N 1 3 381.484 0.899 20 0 GCADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571190091 952939713 /nfs/dbraw/zinc/93/97/13/952939713.db2.gz FEKGJQLNVHVDAK-AEFFLSMTSA-N 1 3 381.484 0.899 20 0 GCADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccc(-c4nnn[n-]4)cc2)C3)C1 ZINC001571191658 952946995 /nfs/dbraw/zinc/94/69/95/952946995.db2.gz QAISUQVHYVAQKH-KRWDZBQOSA-N 1 3 381.484 0.853 20 0 GCADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccc(-c4nnn[n-]4)cc2)C3)C1 ZINC001571191658 952946999 /nfs/dbraw/zinc/94/69/99/952946999.db2.gz QAISUQVHYVAQKH-KRWDZBQOSA-N 1 3 381.484 0.853 20 0 GCADHO C[NH+]1CC[C@H](C(=O)N2CC3(C2)CC[N@H+](Cc2ccc(-c4nnn[n-]4)cc2)C3)C1 ZINC001571191658 952947003 /nfs/dbraw/zinc/94/70/03/952947003.db2.gz QAISUQVHYVAQKH-KRWDZBQOSA-N 1 3 381.484 0.853 20 0 GCADHO C[NH+]1CC[C@H](C(=O)N2CC3(C2)CC[N@@H+](Cc2ccc(-c4nnn[n-]4)cc2)C3)C1 ZINC001571191658 952947008 /nfs/dbraw/zinc/94/70/08/952947008.db2.gz QAISUQVHYVAQKH-KRWDZBQOSA-N 1 3 381.484 0.853 20 0 GCADHO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000048219665 530203159 /nfs/dbraw/zinc/20/31/59/530203159.db2.gz FGPXKQIULXJNQF-CQSZACIVSA-N 1 3 375.535 0.506 20 0 GCADHO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000048219666 530203166 /nfs/dbraw/zinc/20/31/66/530203166.db2.gz FGPXKQIULXJNQF-AWEZNQCLSA-N 1 3 375.535 0.506 20 0 GCADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419881103 530963949 /nfs/dbraw/zinc/96/39/49/530963949.db2.gz LCSGMXIOVJCCKZ-HNNXBMFYSA-N 1 3 397.317 0.817 20 0 GCADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423180388 531017171 /nfs/dbraw/zinc/01/71/71/531017171.db2.gz NKNPWUZSDHMAGD-HNNXBMFYSA-N 1 3 397.317 0.899 20 0 GCADHO C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000736769943 598522953 /nfs/dbraw/zinc/52/29/53/598522953.db2.gz XUZXIMFZRGRXBO-HNNXBMFYSA-N 1 3 397.487 0.835 20 0 GCADHO C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000736769943 598522954 /nfs/dbraw/zinc/52/29/54/598522954.db2.gz XUZXIMFZRGRXBO-HNNXBMFYSA-N 1 3 397.487 0.835 20 0 GCADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825860262 609229632 /nfs/dbraw/zinc/22/96/32/609229632.db2.gz MVLUBBNGEKLODR-QGZVFWFLSA-N 1 3 389.504 0.632 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CCSC1 ZINC000884612280 641786848 /nfs/dbraw/zinc/78/68/48/641786848.db2.gz IRRLCNKVXQEFBG-GYSYKLTISA-N 1 3 382.452 0.136 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CCSC1 ZINC000884612282 641787212 /nfs/dbraw/zinc/78/72/12/641787212.db2.gz IRRLCNKVXQEFBG-SUNKGSAMSA-N 1 3 382.452 0.136 20 0 GCADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000652349669 1192200375 /nfs/dbraw/zinc/20/03/75/1192200375.db2.gz YNGCAYIUBNAZLT-RCCFBDPRSA-N 1 3 388.516 0.344 20 0 GCADHO C[C@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H]1CCN ZINC000652354154 1192202808 /nfs/dbraw/zinc/20/28/08/1192202808.db2.gz OGGJUDAFDCRRBQ-YJBOKZPZSA-N 1 3 396.557 0.832 20 0 GCADHO C[C@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H]1CCN ZINC000652354154 1192202811 /nfs/dbraw/zinc/20/28/11/1192202811.db2.gz OGGJUDAFDCRRBQ-YJBOKZPZSA-N 1 3 396.557 0.832 20 0 GCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000652349666 1192200310 /nfs/dbraw/zinc/20/03/10/1192200310.db2.gz YNGCAYIUBNAZLT-KSZLIROESA-N 1 3 388.516 0.344 20 0 GCADHO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CN(C)CCN3C)C2)cc1 ZINC000636702839 1192272301 /nfs/dbraw/zinc/27/23/01/1192272301.db2.gz ZUBPGDSTGAIDTN-MOPGFXCFSA-N 1 3 387.528 0.048 20 0 GCADHO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CN(C)CCN3C)C2)cc1 ZINC000636702839 1192272306 /nfs/dbraw/zinc/27/23/06/1192272306.db2.gz ZUBPGDSTGAIDTN-MOPGFXCFSA-N 1 3 387.528 0.048 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662444841 1192296648 /nfs/dbraw/zinc/29/66/48/1192296648.db2.gz LLFKSMVYNQJZDC-UHFFFAOYSA-N 1 3 375.473 0.522 20 0 GCADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662577116 1192313798 /nfs/dbraw/zinc/31/37/98/1192313798.db2.gz DHCVFVQLTMJKDM-IPMKNSEASA-N 1 3 383.496 0.968 20 0 GCADHO CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCN(C)CC1 ZINC000663562304 1192390758 /nfs/dbraw/zinc/39/07/58/1192390758.db2.gz YULPGQPDXAYSCE-RTBURBONSA-N 1 3 381.565 0.811 20 0 GCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652675440 1192450645 /nfs/dbraw/zinc/45/06/45/1192450645.db2.gz XFBXXQBMLQXGFI-FJIDUMEYSA-N 1 3 380.533 0.722 20 0 GCADHO CC(C)[NH+]1CCC(N2CCN(C[C@@H](O)CN3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000433463788 1192486521 /nfs/dbraw/zinc/48/65/21/1192486521.db2.gz AMQWYBLDBJPWBP-SFHLNBCPSA-N 1 3 382.593 0.947 20 0 GCADHO CN(C(=O)NCCCN1CCC[C@H]1C(N)=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000637375546 1192518650 /nfs/dbraw/zinc/51/86/50/1192518650.db2.gz MSMQNINXGTZTLH-MSOLQXFVSA-N 1 3 394.564 0.136 20 0 GCADHO CN(C(=O)NCCCN1CCC[C@H]1C(N)=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000637375546 1192518653 /nfs/dbraw/zinc/51/86/53/1192518653.db2.gz MSMQNINXGTZTLH-MSOLQXFVSA-N 1 3 394.564 0.136 20 0 GCADHO COCC1(CNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000418638781 1192622980 /nfs/dbraw/zinc/62/29/80/1192622980.db2.gz LSWPWFVULMJKGB-NRFANRHFSA-N 1 3 390.528 0.939 20 0 GCADHO COC[C@]1(CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418646892 1192623761 /nfs/dbraw/zinc/62/37/61/1192623761.db2.gz XKPGNBJJHSBEPP-WOJBJXKFSA-N 1 3 376.501 0.691 20 0 GCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418752483 1192639757 /nfs/dbraw/zinc/63/97/57/1192639757.db2.gz BVVBSQOKNXBVLH-GUDVDZBRSA-N 1 3 375.517 0.072 20 0 GCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418776750 1192643155 /nfs/dbraw/zinc/64/31/55/1192643155.db2.gz GRLPJACMZLXNSY-KRWDZBQOSA-N 1 3 375.517 0.416 20 0 GCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418781352 1192644537 /nfs/dbraw/zinc/64/45/37/1192644537.db2.gz LSWUZEXRRJFQKS-KRWDZBQOSA-N 1 3 375.517 0.511 20 0 GCADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)Cc1ccccc1 ZINC000418848306 1192664956 /nfs/dbraw/zinc/66/49/56/1192664956.db2.gz LBQOVNINMAZVDJ-SFHVURJKSA-N 1 3 390.528 0.632 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)[C@H](C[NH3+])C1 ZINC000418847532 1192666963 /nfs/dbraw/zinc/66/69/63/1192666963.db2.gz JMAHPFLDYVGLLG-RCCFBDPRSA-N 1 3 376.501 0.240 20 0 GCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418862294 1192671015 /nfs/dbraw/zinc/67/10/15/1192671015.db2.gz AMOXVJXUVSYBRM-HWMZRRJGSA-N 1 3 380.533 0.985 20 0 GCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000418862294 1192671018 /nfs/dbraw/zinc/67/10/18/1192671018.db2.gz AMOXVJXUVSYBRM-HWMZRRJGSA-N 1 3 380.533 0.985 20 0 GCADHO C[C@]1(CNC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000418958188 1192701813 /nfs/dbraw/zinc/70/18/13/1192701813.db2.gz FRKQXOPPDLVCNV-HXUWFJFHSA-N 1 3 388.512 0.639 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000418996790 1192711748 /nfs/dbraw/zinc/71/17/48/1192711748.db2.gz KOAUFIUMCOQRRR-RDJZCZTQSA-N 1 3 376.501 0.854 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000418996790 1192711750 /nfs/dbraw/zinc/71/17/50/1192711750.db2.gz KOAUFIUMCOQRRR-RDJZCZTQSA-N 1 3 376.501 0.854 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419026765 1192728724 /nfs/dbraw/zinc/72/87/24/1192728724.db2.gz NSCOFKDJQNKPDA-NEPXVJNWSA-N 1 3 394.560 0.968 20 0 GCADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419030518 1192732743 /nfs/dbraw/zinc/73/27/43/1192732743.db2.gz HRWLWLXZGVWDNA-INIZCTEOSA-N 1 3 382.574 0.970 20 0 GCADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419032560 1192733020 /nfs/dbraw/zinc/73/30/20/1192733020.db2.gz WAWMOEVTWLCLSA-YOEHRIQHSA-N 1 3 376.501 0.984 20 0 GCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419032560 1192733026 /nfs/dbraw/zinc/73/30/26/1192733026.db2.gz WAWMOEVTWLCLSA-YOEHRIQHSA-N 1 3 376.501 0.984 20 0 GCADHO COCC[NH2+]CCNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419036741 1192735433 /nfs/dbraw/zinc/73/54/33/1192735433.db2.gz PZBMLLRQBSDHLP-UHFFFAOYSA-N 1 3 386.562 0.207 20 0 GCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000419081726 1192777876 /nfs/dbraw/zinc/77/78/76/1192777876.db2.gz ORMMYZGVOMYHIR-ZWKOTPCHSA-N 1 3 392.500 0.380 20 0 GCADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000419120608 1192794141 /nfs/dbraw/zinc/79/41/41/1192794141.db2.gz CNFBBDBXKIXZAM-ZWKOTPCHSA-N 1 3 375.517 0.191 20 0 GCADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419166114 1192822778 /nfs/dbraw/zinc/82/27/78/1192822778.db2.gz OJSVJJJAJWLDLL-RBUKOAKNSA-N 1 3 388.512 0.510 20 0 GCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419172293 1192826174 /nfs/dbraw/zinc/82/61/74/1192826174.db2.gz YWVNAYOBWTZETP-RBUKOAKNSA-N 1 3 390.528 0.883 20 0 GCADHO C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)ccn1 ZINC000893914316 1192876128 /nfs/dbraw/zinc/87/61/28/1192876128.db2.gz NJAMWYUPKLVMKR-ZWKOTPCHSA-N 1 3 391.516 0.763 20 0 GCADHO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000419211319 1192895843 /nfs/dbraw/zinc/89/58/43/1192895843.db2.gz XBAYYNUMQDCKOF-KRWDZBQOSA-N 1 3 388.516 0.050 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654727293 1184105366 /nfs/dbraw/zinc/10/53/66/1184105366.db2.gz JKYCODDMABSXNV-QZTJIDSGSA-N 1 3 377.533 0.953 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654727293 1184105371 /nfs/dbraw/zinc/10/53/71/1184105371.db2.gz JKYCODDMABSXNV-QZTJIDSGSA-N 1 3 377.533 0.953 20 0 GCADHO CC(C)[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)N1CCN(C)CC1 ZINC000109166236 1184331240 /nfs/dbraw/zinc/33/12/40/1184331240.db2.gz UNHYPDYNKLGBRR-RTBURBONSA-N 1 3 383.581 0.650 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(F)(F)c1ccc(F)cc1 ZINC000579860980 1184382641 /nfs/dbraw/zinc/38/26/41/1184382641.db2.gz ZGHBPLYJKVJXPX-UHFFFAOYSA-N 1 3 388.434 0.986 20 0 GCADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000275383727 1184645043 /nfs/dbraw/zinc/64/50/43/1184645043.db2.gz FAZCCNPKVXPIRC-UHFFFAOYSA-N 1 3 391.516 0.717 20 0 GCADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)CC2)C1 ZINC000656029237 1184965473 /nfs/dbraw/zinc/96/54/73/1184965473.db2.gz XEPPJEKVWQZLOK-XWSJACJDSA-N 1 3 392.544 0.864 20 0 GCADHO CCN1CCN(CCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275735283 1184991688 /nfs/dbraw/zinc/99/16/88/1184991688.db2.gz UWTFLEUGVBFHQJ-UHFFFAOYSA-N 1 3 375.517 0.483 20 0 GCADHO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000656072375 1185009474 /nfs/dbraw/zinc/00/94/74/1185009474.db2.gz MBWHHZIXAWDMFN-UHFFFAOYSA-N 1 3 394.560 0.890 20 0 GCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000580196340 1185114153 /nfs/dbraw/zinc/11/41/53/1185114153.db2.gz GJCQYIJWKBKPOO-LZLYRXPVSA-N 1 3 376.501 0.636 20 0 GCADHO C[C@@H](NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C(=O)NCCN1CCCCC1 ZINC000580561476 1185276256 /nfs/dbraw/zinc/27/62/56/1185276256.db2.gz CIBJFDHXURREAR-NVXWUHKLSA-N 1 3 376.505 0.528 20 0 GCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000580561824 1185276483 /nfs/dbraw/zinc/27/64/83/1185276483.db2.gz YVQQDIKYSDBZLH-RTBURBONSA-N 1 3 388.512 0.652 20 0 GCADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656312113 1185389714 /nfs/dbraw/zinc/38/97/14/1185389714.db2.gz SKQAUXPDZAYVBA-QZTJIDSGSA-N 1 3 392.544 0.881 20 0 GCADHO CCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000656315568 1185400076 /nfs/dbraw/zinc/40/00/76/1185400076.db2.gz LDVIDGSLBNGCRE-KRWDZBQOSA-N 1 3 393.576 0.604 20 0 GCADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656330547 1185427390 /nfs/dbraw/zinc/42/73/90/1185427390.db2.gz PSQZORBZLYFYDF-YTQUADARSA-N 1 3 392.544 0.737 20 0 GCADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656354125 1185448779 /nfs/dbraw/zinc/44/87/79/1185448779.db2.gz FCWPMHWQZFYUCU-OKZBNKHCSA-N 1 3 380.533 0.689 20 0 GCADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656353657 1185449607 /nfs/dbraw/zinc/44/96/07/1185449607.db2.gz BRVXSHFMYCBLGN-ZWKOTPCHSA-N 1 3 380.533 0.425 20 0 GCADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656353657 1185449610 /nfs/dbraw/zinc/44/96/10/1185449610.db2.gz BRVXSHFMYCBLGN-ZWKOTPCHSA-N 1 3 380.533 0.425 20 0 GCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)CC2)C1 ZINC000656356347 1185457607 /nfs/dbraw/zinc/45/76/07/1185457607.db2.gz SMRJSFOBGJDWFN-GBESFXJTSA-N 1 3 391.560 0.358 20 0 GCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)CC2)C1 ZINC000656356347 1185457612 /nfs/dbraw/zinc/45/76/12/1185457612.db2.gz SMRJSFOBGJDWFN-GBESFXJTSA-N 1 3 391.560 0.358 20 0 GCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC2)C1 ZINC000656356350 1185458331 /nfs/dbraw/zinc/45/83/31/1185458331.db2.gz SMRJSFOBGJDWFN-OTWHNJEPSA-N 1 3 391.560 0.358 20 0 GCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC2)C1 ZINC000656356350 1185458337 /nfs/dbraw/zinc/45/83/37/1185458337.db2.gz SMRJSFOBGJDWFN-OTWHNJEPSA-N 1 3 391.560 0.358 20 0 GCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC2)C1 ZINC000656356348 1185458862 /nfs/dbraw/zinc/45/88/62/1185458862.db2.gz SMRJSFOBGJDWFN-IPMKNSEASA-N 1 3 391.560 0.358 20 0 GCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC2)C1 ZINC000656356348 1185458864 /nfs/dbraw/zinc/45/88/64/1185458864.db2.gz SMRJSFOBGJDWFN-IPMKNSEASA-N 1 3 391.560 0.358 20 0 GCADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656361023 1185464659 /nfs/dbraw/zinc/46/46/59/1185464659.db2.gz XMOQILZOXYLMKR-ROUUACIJSA-N 1 3 382.549 0.936 20 0 GCADHO C[NH+](C)CCOCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000471637545 1185472493 /nfs/dbraw/zinc/47/24/93/1185472493.db2.gz XGHIPFOCDWQDGA-RTBURBONSA-N 1 3 378.517 0.747 20 0 GCADHO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000581063705 1185481415 /nfs/dbraw/zinc/48/14/15/1185481415.db2.gz NOSPJXDIOSKPAD-YOEHRIQHSA-N 1 3 380.533 0.591 20 0 GCADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000430639392 1185843764 /nfs/dbraw/zinc/84/37/64/1185843764.db2.gz HYVYSYOETMGCDK-QGZVFWFLSA-N 1 3 379.549 0.119 20 0 GCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000891536521 1185910179 /nfs/dbraw/zinc/91/01/79/1185910179.db2.gz SRLQOBVYDWDUTI-IBGZPJMESA-N 1 3 387.528 0.943 20 0 GCADHO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000891566289 1185920893 /nfs/dbraw/zinc/92/08/93/1185920893.db2.gz TZOXBXXSFGOBNU-VQTJNVASSA-N 1 3 387.528 0.407 20 0 GCADHO C[NH2+]CC1CCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430968839 1186074703 /nfs/dbraw/zinc/07/47/03/1186074703.db2.gz ZJCPRFIFBSJBCO-AWEZNQCLSA-N 1 3 382.530 0.313 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000933847428 1186109396 /nfs/dbraw/zinc/10/93/96/1186109396.db2.gz GRIBRIHZLLJUAC-ZWKOTPCHSA-N 1 3 393.576 0.319 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458239236 1186218731 /nfs/dbraw/zinc/21/87/31/1186218731.db2.gz ZBBPPBOJPJJHCD-DLBZAZTESA-N 1 3 383.537 0.075 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458239236 1186218733 /nfs/dbraw/zinc/21/87/33/1186218733.db2.gz ZBBPPBOJPJJHCD-DLBZAZTESA-N 1 3 383.537 0.075 20 0 GCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000582441097 1186532033 /nfs/dbraw/zinc/53/20/33/1186532033.db2.gz NYIGZUOADUBZJT-MRXNPFEDSA-N 1 3 391.516 0.418 20 0 GCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431468240 1186597394 /nfs/dbraw/zinc/59/73/94/1186597394.db2.gz CJPFUTWANDFYBE-SFHVURJKSA-N 1 3 396.580 0.304 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)C[C@H](C)O1 ZINC000583558917 1186886112 /nfs/dbraw/zinc/88/61/12/1186886112.db2.gz VYGYQWBUYPBFTQ-NBMJBFSESA-N 1 3 392.544 0.545 20 0 GCADHO CN(CCC[NH3+])C(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000583705396 1186923734 /nfs/dbraw/zinc/92/37/34/1186923734.db2.gz YILUDBFFXOJOEI-UHFFFAOYSA-N 1 3 389.544 0.508 20 0 GCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000584277681 1187024361 /nfs/dbraw/zinc/02/43/61/1187024361.db2.gz BSIIMFFJFSSJHP-AKHDSKFASA-N 1 3 391.560 0.166 20 0 GCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2O)CC[N@@H+]1C ZINC001023969057 1187201290 /nfs/dbraw/zinc/20/12/90/1187201290.db2.gz FFIBMQSCSVZLIM-QBPKDAKJSA-N 1 3 380.533 0.279 20 0 GCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2O)CC[N@H+]1C ZINC001023969057 1187201292 /nfs/dbraw/zinc/20/12/92/1187201292.db2.gz FFIBMQSCSVZLIM-QBPKDAKJSA-N 1 3 380.533 0.279 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000658535269 1187336672 /nfs/dbraw/zinc/33/66/72/1187336672.db2.gz HUHLSZKIGAJEFG-GOSISDBHSA-N 1 3 376.501 0.618 20 0 GCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000612548656 1187520959 /nfs/dbraw/zinc/52/09/59/1187520959.db2.gz PLBHYDAWUCYMMH-FHWLQOOXSA-N 1 3 393.576 0.604 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](CO)CN2CCCCC2)CC1=O ZINC000413822563 1187529772 /nfs/dbraw/zinc/52/97/72/1187529772.db2.gz UHTFSQUDFQIMGL-RCCFBDPRSA-N 1 3 380.533 0.282 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](CO)CN2CCCCC2)CC1=O ZINC000413822563 1187529777 /nfs/dbraw/zinc/52/97/77/1187529777.db2.gz UHTFSQUDFQIMGL-RCCFBDPRSA-N 1 3 380.533 0.282 20 0 GCADHO CN1CCC[C@H](NC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612870429 1187608971 /nfs/dbraw/zinc/60/89/71/1187608971.db2.gz CVFRSHPEKGDKMN-CVEARBPZSA-N 1 3 375.521 0.803 20 0 GCADHO C[C@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[C@H]1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000613327862 1187720056 /nfs/dbraw/zinc/72/00/56/1187720056.db2.gz DDRZGPNZSNPWQP-FLIUJYPFSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000613327862 1187720060 /nfs/dbraw/zinc/72/00/60/1187720060.db2.gz DDRZGPNZSNPWQP-FLIUJYPFSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)[C@H]1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000613327862 1187720066 /nfs/dbraw/zinc/72/00/66/1187720066.db2.gz DDRZGPNZSNPWQP-FLIUJYPFSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@H](C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)[C@H]1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000613327862 1187720072 /nfs/dbraw/zinc/72/00/72/1187720072.db2.gz DDRZGPNZSNPWQP-FLIUJYPFSA-N 1 3 388.556 0.974 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)CC2)CC1 ZINC000549046264 1187795462 /nfs/dbraw/zinc/79/54/62/1187795462.db2.gz JSKSQACIIHTZIZ-ZWKOTPCHSA-N 1 3 377.533 0.998 20 0 GCADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](C)N1CCOCC1 ZINC000105211063 1187876587 /nfs/dbraw/zinc/87/65/87/1187876587.db2.gz PLPPAICMFQBNSF-IAGOWNOFSA-N 1 3 381.565 0.953 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892651391 1187882144 /nfs/dbraw/zinc/88/21/44/1187882144.db2.gz YCHHLRCTUDKONL-KSZLIROESA-N 1 3 395.548 0.170 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000892651391 1187882149 /nfs/dbraw/zinc/88/21/49/1187882149.db2.gz YCHHLRCTUDKONL-KSZLIROESA-N 1 3 395.548 0.170 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)n1 ZINC000659110810 1187886745 /nfs/dbraw/zinc/88/67/45/1187886745.db2.gz VBLRWNYMSIZHBI-UHFFFAOYSA-N 1 3 398.467 0.534 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000659318523 1187943167 /nfs/dbraw/zinc/94/31/67/1187943167.db2.gz KCGIZSBTCWDBHK-SFHVURJKSA-N 1 3 394.491 0.757 20 0 GCADHO CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1C ZINC000659345090 1187945285 /nfs/dbraw/zinc/94/52/85/1187945285.db2.gz YSCOLSZMSDHWFV-RTBURBONSA-N 1 3 393.576 0.412 20 0 GCADHO CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1C ZINC000659345090 1187945286 /nfs/dbraw/zinc/94/52/86/1187945286.db2.gz YSCOLSZMSDHWFV-RTBURBONSA-N 1 3 393.576 0.412 20 0 GCADHO CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1C ZINC000659345090 1187945292 /nfs/dbraw/zinc/94/52/92/1187945292.db2.gz YSCOLSZMSDHWFV-RTBURBONSA-N 1 3 393.576 0.412 20 0 GCADHO CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1C ZINC000659345089 1187945346 /nfs/dbraw/zinc/94/53/46/1187945346.db2.gz YSCOLSZMSDHWFV-RBUKOAKNSA-N 1 3 393.576 0.412 20 0 GCADHO CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1C ZINC000659345089 1187945348 /nfs/dbraw/zinc/94/53/48/1187945348.db2.gz YSCOLSZMSDHWFV-RBUKOAKNSA-N 1 3 393.576 0.412 20 0 GCADHO CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1C ZINC000659345089 1187945349 /nfs/dbraw/zinc/94/53/49/1187945349.db2.gz YSCOLSZMSDHWFV-RBUKOAKNSA-N 1 3 393.576 0.412 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H](C)N1C ZINC000659345062 1187945568 /nfs/dbraw/zinc/94/55/68/1187945568.db2.gz VYGBREOHLDQINJ-JZXOWHBKSA-N 1 3 379.549 0.164 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H](C)N1C ZINC000659345062 1187945569 /nfs/dbraw/zinc/94/55/69/1187945569.db2.gz VYGBREOHLDQINJ-JZXOWHBKSA-N 1 3 379.549 0.164 20 0 GCADHO CN(C(=O)C(=O)N1CCN(CC2CC2)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344827 1187946462 /nfs/dbraw/zinc/94/64/62/1187946462.db2.gz LFZNCXUBWCVMDM-LJQANCHMSA-N 1 3 391.560 0.168 20 0 GCADHO CN(C(=O)C(=O)N1CCN(CC2CC2)CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344827 1187946464 /nfs/dbraw/zinc/94/64/64/1187946464.db2.gz LFZNCXUBWCVMDM-LJQANCHMSA-N 1 3 391.560 0.168 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCCCC[NH+]2CCCCC2)n1 ZINC000659678637 1187992706 /nfs/dbraw/zinc/99/27/06/1187992706.db2.gz MINLMGSPMXOIML-UHFFFAOYSA-N 1 3 378.477 0.030 20 0 GCADHO COCCN1CCC(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659680883 1187993072 /nfs/dbraw/zinc/99/30/72/1187993072.db2.gz UAFVDXJDSMHPPF-QGZVFWFLSA-N 1 3 380.533 0.452 20 0 GCADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659687204 1187997401 /nfs/dbraw/zinc/99/74/01/1187997401.db2.gz GPHPJQMCCHGVBV-UHFFFAOYSA-N 1 3 392.504 0.131 20 0 GCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659718239 1188007467 /nfs/dbraw/zinc/00/74/67/1188007467.db2.gz MUPZXBPWIHEFRL-SFHVURJKSA-N 1 3 375.517 0.899 20 0 GCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659730789 1188016749 /nfs/dbraw/zinc/01/67/49/1188016749.db2.gz VFPZSRLUYABDRF-OAQYLSRUSA-N 1 3 385.512 0.622 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659739520 1188017916 /nfs/dbraw/zinc/01/79/16/1188017916.db2.gz WQEMTJQWHLPCOV-IEBWSBKVSA-N 1 3 392.544 0.594 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000659739749 1188019323 /nfs/dbraw/zinc/01/93/23/1188019323.db2.gz ZNDJWBMKXFQTTH-QZTJIDSGSA-N 1 3 378.517 0.347 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000659739748 1188019744 /nfs/dbraw/zinc/01/97/44/1188019744.db2.gz ZNDJWBMKXFQTTH-MSOLQXFVSA-N 1 3 378.517 0.347 20 0 GCADHO COCC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000376695746 1188021519 /nfs/dbraw/zinc/02/15/19/1188021519.db2.gz UQCKXKPMYWMJLT-QGZVFWFLSA-N 1 3 381.521 0.045 20 0 GCADHO O=C(CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)NCCN1CCCCC1 ZINC000909322704 1188054519 /nfs/dbraw/zinc/05/45/19/1188054519.db2.gz JUEPYCUUBJLKDQ-NRFANRHFSA-N 1 3 388.512 0.342 20 0 GCADHO O=C(CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)NCCN1CCCCC1 ZINC000909322704 1188054524 /nfs/dbraw/zinc/05/45/24/1188054524.db2.gz JUEPYCUUBJLKDQ-NRFANRHFSA-N 1 3 388.512 0.342 20 0 GCADHO CC(C)c1ccc([C@H](N)CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000415392335 1188070709 /nfs/dbraw/zinc/07/07/09/1188070709.db2.gz NKJPCUQDFGXSTR-QGZVFWFLSA-N 1 3 386.500 1.323 20 0 GCADHO COCC[NH2+]CCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000415545180 1188102565 /nfs/dbraw/zinc/10/25/65/1188102565.db2.gz JCIONKXBDIDNQG-UHFFFAOYSA-N 1 3 391.516 0.508 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000415586984 1188114288 /nfs/dbraw/zinc/11/42/88/1188114288.db2.gz DJQTUOITUIXCLE-JOCHJYFZSA-N 1 3 399.539 0.975 20 0 GCADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415670678 1188137528 /nfs/dbraw/zinc/13/75/28/1188137528.db2.gz IIHRJJSFPFUIKU-CALCHBBNSA-N 1 3 388.537 0.894 20 0 GCADHO CN(C(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000415743068 1188155639 /nfs/dbraw/zinc/15/56/39/1188155639.db2.gz MJXVCVKHUXPTHO-MRXNPFEDSA-N 1 3 382.468 0.699 20 0 GCADHO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C[C@@H]1C[NH3+] ZINC000415845947 1189379087 /nfs/dbraw/zinc/37/90/87/1189379087.db2.gz KIUZIWXCIGOONP-CABCVRRESA-N 1 3 389.500 0.936 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)NC[C@H]3C[NH2+]CCN3C)cc2)CC1 ZINC000416988280 1189604553 /nfs/dbraw/zinc/60/45/53/1189604553.db2.gz LBURIFGTYBJQPJ-HXUWFJFHSA-N 1 3 388.560 0.527 20 0 GCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417159728 1189626131 /nfs/dbraw/zinc/62/61/31/1189626131.db2.gz XLKFDBAZXCZASP-HXUWFJFHSA-N 1 3 388.560 0.792 20 0 GCADHO COCCN(C)CCOc1cccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000417459051 1189668345 /nfs/dbraw/zinc/66/83/45/1189668345.db2.gz LMZLQAKIQHWTIB-LJQANCHMSA-N 1 3 394.516 0.903 20 0 GCADHO C[NH+](C)CCOc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000584793046 1189669330 /nfs/dbraw/zinc/66/93/30/1189669330.db2.gz GMMKLCCADFEAMQ-WBVHZDCISA-N 1 3 375.473 0.080 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693623 1189775754 /nfs/dbraw/zinc/77/57/54/1189775754.db2.gz YTUWTNGVGCPFFP-MLHJIOFPSA-N 1 3 394.560 0.968 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H]4NC(=O)CC[C@@H]4C3)CC2)CC1 ZINC000660573182 1189907945 /nfs/dbraw/zinc/90/79/45/1189907945.db2.gz GUQMZDKMPGIJMX-CRAIPNDOSA-N 1 3 377.533 0.855 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN([C@H]4CCOC4)CC3)CC2)CC1 ZINC000660573924 1189908363 /nfs/dbraw/zinc/90/83/63/1189908363.db2.gz MATAMJXWWLONEU-IBGZPJMESA-N 1 3 379.549 0.661 20 0 GCADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000668942847 1189920765 /nfs/dbraw/zinc/92/07/65/1189920765.db2.gz OSCUYLBFPNKRRF-IAGOWNOFSA-N 1 3 382.549 0.839 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660852697 1189957669 /nfs/dbraw/zinc/95/76/69/1189957669.db2.gz FVALSLIGIHJREH-ROUUACIJSA-N 1 3 395.548 0.482 20 0 GCADHO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433125962 1193761009 /nfs/dbraw/zinc/76/10/09/1193761009.db2.gz ASBGYMFOBFMLAU-SFHVURJKSA-N 1 3 388.560 0.912 20 0 GCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263233148 1193806815 /nfs/dbraw/zinc/80/68/15/1193806815.db2.gz ITUGIXCPADOJKJ-FCEWJHQRSA-N 1 3 382.549 0.824 20 0 GCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263233148 1193806820 /nfs/dbraw/zinc/80/68/20/1193806820.db2.gz ITUGIXCPADOJKJ-FCEWJHQRSA-N 1 3 382.549 0.824 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000419332464 1193823578 /nfs/dbraw/zinc/82/35/78/1193823578.db2.gz HVNMMRBHJOQUSK-LJQANCHMSA-N 1 3 387.528 0.390 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419335757 1193828546 /nfs/dbraw/zinc/82/85/46/1193828546.db2.gz JYVXRQRHRREBOF-MRXNPFEDSA-N 1 3 375.517 0.151 20 0 GCADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)Cc1ccccc1 ZINC000419336838 1193832141 /nfs/dbraw/zinc/83/21/41/1193832141.db2.gz AWBZOBGKRYPSDY-MSOLQXFVSA-N 1 3 376.501 0.160 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000419341711 1193833819 /nfs/dbraw/zinc/83/38/19/1193833819.db2.gz OSKRFGGZJKSGDB-LJQANCHMSA-N 1 3 387.528 0.390 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000419342705 1193834331 /nfs/dbraw/zinc/83/43/31/1193834331.db2.gz PXGNJUBKZDIXBY-KRWDZBQOSA-N 1 3 389.544 0.412 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419360939 1193864665 /nfs/dbraw/zinc/86/46/65/1193864665.db2.gz AGAVDTOOEJHZLA-PBHICJAKSA-N 1 3 388.512 0.431 20 0 GCADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000571484809 1193881495 /nfs/dbraw/zinc/88/14/95/1193881495.db2.gz KHARGOGOWADYLY-QZTJIDSGSA-N 1 3 381.565 0.460 20 0 GCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000419405512 1194021262 /nfs/dbraw/zinc/02/12/62/1194021262.db2.gz HRFUEWMWUKYQDB-JCGIZDLHSA-N 1 3 376.476 0.927 20 0 GCADHO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000419420252 1194023409 /nfs/dbraw/zinc/02/34/09/1194023409.db2.gz MTHUYODWNYRDFJ-LJQANCHMSA-N 1 3 387.528 0.118 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NCC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000419425500 1194026479 /nfs/dbraw/zinc/02/64/79/1194026479.db2.gz VVIASYMBQSWXCL-KRWDZBQOSA-N 1 3 375.517 0.335 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000419427550 1194026732 /nfs/dbraw/zinc/02/67/32/1194026732.db2.gz ZFDBBASXXXRLMP-RBUKOAKNSA-N 1 3 387.528 0.350 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000419425501 1194026827 /nfs/dbraw/zinc/02/68/27/1194026827.db2.gz VVIASYMBQSWXCL-QGZVFWFLSA-N 1 3 375.517 0.335 20 0 GCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419425549 1194026881 /nfs/dbraw/zinc/02/68/81/1194026881.db2.gz VZEPGKJABWPLMG-OALUTQOASA-N 1 3 389.544 0.581 20 0 GCADHO C[NH2+]CCCNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419427879 1194027292 /nfs/dbraw/zinc/02/72/92/1194027292.db2.gz ZZGRZWMJABYYMU-SFHVURJKSA-N 1 3 375.517 0.207 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419410909 1194029241 /nfs/dbraw/zinc/02/92/41/1194029241.db2.gz AVOGBQYZECEJAG-HKUYNNGSSA-N 1 3 387.528 0.289 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NCC2([NH3+])CCC2)[C@@H](c2ccccc2)C1 ZINC000419413365 1194030636 /nfs/dbraw/zinc/03/06/36/1194030636.db2.gz FIPMRUPULATVGN-GOSISDBHSA-N 1 3 387.528 0.479 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NC2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000419414268 1194031106 /nfs/dbraw/zinc/03/11/06/1194031106.db2.gz GMSREXZLDYLZNU-IBGZPJMESA-N 1 3 387.528 0.350 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000419414264 1194031519 /nfs/dbraw/zinc/03/15/19/1194031519.db2.gz GMFLLWFSOBUVGT-ZCNNSNEGSA-N 1 3 399.539 0.159 20 0 GCADHO [NH3+]C1(CNC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCC1 ZINC000419417326 1194032598 /nfs/dbraw/zinc/03/25/98/1194032598.db2.gz JTTHRQMWOWRUMX-UHFFFAOYSA-N 1 3 387.528 0.308 20 0 GCADHO C[C@@H]1C[C@H](CCNC(=O)C(=O)NC[C@H]2CNCCO2)C[N@@H+]1Cc1ccccc1 ZINC000419468074 1194042935 /nfs/dbraw/zinc/04/29/35/1194042935.db2.gz AQFYSPXTAKRAER-NZSAHSFTSA-N 1 3 388.512 0.508 20 0 GCADHO C[C@@H]1C[C@H](CCNC(=O)C(=O)NC[C@H]2CNCCO2)C[N@H+]1Cc1ccccc1 ZINC000419468074 1194042939 /nfs/dbraw/zinc/04/29/39/1194042939.db2.gz AQFYSPXTAKRAER-NZSAHSFTSA-N 1 3 388.512 0.508 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCSC1 ZINC000419592821 1194067494 /nfs/dbraw/zinc/06/74/94/1194067494.db2.gz XIPJOEQOTSLICE-BXWFABGCSA-N 1 3 382.574 0.921 20 0 GCADHO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000419759971 1194098889 /nfs/dbraw/zinc/09/88/89/1194098889.db2.gz YVESTYCLTCDRKN-HIFRSBDPSA-N 1 3 384.521 0.221 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419769213 1194102266 /nfs/dbraw/zinc/10/22/66/1194102266.db2.gz DKRUXIHZMBPPGG-HOTGVXAUSA-N 1 3 395.548 0.069 20 0 GCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419824203 1194110225 /nfs/dbraw/zinc/11/02/25/1194110225.db2.gz MMAXPRCTAADPCP-IAGOWNOFSA-N 1 3 381.565 0.271 20 0 GCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCCCC1 ZINC000419827376 1194111036 /nfs/dbraw/zinc/11/10/36/1194111036.db2.gz SXSYMTHIGDZWSE-INIZCTEOSA-N 1 3 391.520 0.281 20 0 GCADHO C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)CN1CCN(C)CC1 ZINC000419835436 1194117010 /nfs/dbraw/zinc/11/70/10/1194117010.db2.gz VCJBTEMKYIJCHG-QGZVFWFLSA-N 1 3 381.565 0.415 20 0 GCADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000419852720 1194120827 /nfs/dbraw/zinc/12/08/27/1194120827.db2.gz LXDWOOGTLHPUKA-LJQANCHMSA-N 1 3 387.528 0.179 20 0 GCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863715 1194125772 /nfs/dbraw/zinc/12/57/72/1194125772.db2.gz IBGFZKPUSUGMKU-MJGOQNOKSA-N 1 3 387.528 0.035 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000419864437 1194126294 /nfs/dbraw/zinc/12/62/94/1194126294.db2.gz IWHUYHRFRFFJPM-KRWDZBQOSA-N 1 3 375.517 0.035 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C[C@@H](C)O1 ZINC000419851747 1194129692 /nfs/dbraw/zinc/12/96/92/1194129692.db2.gz JLTWAZYJFXVECT-HZPDHXFCSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419901765 1194137503 /nfs/dbraw/zinc/13/75/03/1194137503.db2.gz UPVAHPMYZAVJQC-JFIYKMOQSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000419914293 1194138187 /nfs/dbraw/zinc/13/81/87/1194138187.db2.gz BQPNAIUUMXYLSI-VQIMIIECSA-N 1 3 387.528 0.430 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419918619 1194138516 /nfs/dbraw/zinc/13/85/16/1194138516.db2.gz UTLQQZPCLULZEA-CQSZACIVSA-N 1 3 382.455 0.971 20 0 GCADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000419908128 1194141001 /nfs/dbraw/zinc/14/10/01/1194141001.db2.gz YFESZVYUAHEDPP-RTBURBONSA-N 1 3 388.512 0.810 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419906657 1194141025 /nfs/dbraw/zinc/14/10/25/1194141025.db2.gz AOLVMWRAUWWLEI-LMMKCTJWSA-N 1 3 394.560 0.840 20 0 GCADHO CCC[NH2+]CCNC(=O)C(=O)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000419911984 1194142894 /nfs/dbraw/zinc/14/28/94/1194142894.db2.gz VFIGZLAYKQFHJY-FUHWJXTLSA-N 1 3 392.548 0.767 20 0 GCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419980585 1194151863 /nfs/dbraw/zinc/15/18/63/1194151863.db2.gz RAARNEXFXJOKRX-SOLBZPMBSA-N 1 3 382.549 0.824 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420042462 1194167020 /nfs/dbraw/zinc/16/70/20/1194167020.db2.gz QRKJGVBAFIKLRU-HIFRSBDPSA-N 1 3 382.530 0.868 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000420043665 1194168120 /nfs/dbraw/zinc/16/81/20/1194168120.db2.gz OUDXQCBJFMGKIG-XYVMCAHJSA-N 1 3 380.533 0.578 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000420109873 1194181206 /nfs/dbraw/zinc/18/12/06/1194181206.db2.gz FEGAAMJMSXSXOC-DODZYUBVSA-N 1 3 394.560 0.839 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000420137163 1194184705 /nfs/dbraw/zinc/18/47/05/1194184705.db2.gz WRYUQSOAMZARQH-DODZYUBVSA-N 1 3 394.560 0.839 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000420133581 1194190614 /nfs/dbraw/zinc/19/06/14/1194190614.db2.gz TYPPGHIIWWSJKX-DOTOQJQBSA-N 1 3 376.501 0.842 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420183500 1194197661 /nfs/dbraw/zinc/19/76/61/1194197661.db2.gz GZRBGAUMTOJWGV-MRXNPFEDSA-N 1 3 398.454 0.350 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)CC2)C[C@@H](C)O1 ZINC000420173637 1194201143 /nfs/dbraw/zinc/20/11/43/1194201143.db2.gz VQGWWHIYKWVPTJ-YWTNHNAXSA-N 1 3 394.560 0.981 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420199602 1194202539 /nfs/dbraw/zinc/20/25/39/1194202539.db2.gz WTBTXTONEFFOAU-OAHLLOKOSA-N 1 3 398.454 0.350 20 0 GCADHO NC1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2CS3)CC[NH+](Cc2ccccc2)CC1 ZINC000420200089 1194202831 /nfs/dbraw/zinc/20/28/31/1194202831.db2.gz FQUFCZBBYMXYGI-IRXDYDNUSA-N 1 3 388.537 0.812 20 0 GCADHO CC[C@H]1CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000420202482 1194203740 /nfs/dbraw/zinc/20/37/40/1194203740.db2.gz JIPWQHUMVDOWGS-SFHVURJKSA-N 1 3 388.512 0.734 20 0 GCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000420203901 1194204909 /nfs/dbraw/zinc/20/49/09/1194204909.db2.gz LLWYFULBJBURKR-IXDOHACOSA-N 1 3 376.501 0.983 20 0 GCADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420207235 1194205425 /nfs/dbraw/zinc/20/54/25/1194205425.db2.gz TWMBLNAJHBIYHP-QRQLOZEOSA-N 1 3 388.512 0.603 20 0 GCADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420207235 1194205430 /nfs/dbraw/zinc/20/54/30/1194205430.db2.gz TWMBLNAJHBIYHP-QRQLOZEOSA-N 1 3 388.512 0.603 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501624368 1194209857 /nfs/dbraw/zinc/20/98/57/1194209857.db2.gz NSCIUXJPHZHAPA-OALUTQOASA-N 1 3 394.560 0.936 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501624368 1194209858 /nfs/dbraw/zinc/20/98/58/1194209858.db2.gz NSCIUXJPHZHAPA-OALUTQOASA-N 1 3 394.560 0.936 20 0 GCADHO C[C@@H]1OCCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000420209535 1194211778 /nfs/dbraw/zinc/21/17/78/1194211778.db2.gz SZVOJMGSWCJDEL-IRXDYDNUSA-N 1 3 388.512 0.732 20 0 GCADHO COCCN(C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000420210144 1194212318 /nfs/dbraw/zinc/21/23/18/1194212318.db2.gz UIUTZHHXWCBMMJ-UHFFFAOYSA-N 1 3 388.512 0.734 20 0 GCADHO CO[C@H]1CCCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420212098 1194213329 /nfs/dbraw/zinc/21/33/29/1194213329.db2.gz WPRLIADYBPITNO-SFHVURJKSA-N 1 3 388.512 0.734 20 0 GCADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000501648653 1194219289 /nfs/dbraw/zinc/21/92/89/1194219289.db2.gz YQJGKCDMNHAXSM-PKOBYXMFSA-N 1 3 392.544 0.690 20 0 GCADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000501648652 1194219542 /nfs/dbraw/zinc/21/95/42/1194219542.db2.gz YQJGKCDMNHAXSM-MJGOQNOKSA-N 1 3 392.544 0.690 20 0 GCADHO CN(C)S(=O)(=O)c1ccc(OCCN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347223 1194222191 /nfs/dbraw/zinc/22/21/91/1194222191.db2.gz FVPUFHWFVHUUML-INIZCTEOSA-N 1 3 382.530 0.295 20 0 GCADHO NCc1cn([C@@H]2CCC[N@H+](CCC(=O)NC(=O)NCc3ccccc3)C2)nn1 ZINC000420387705 1194225762 /nfs/dbraw/zinc/22/57/62/1194225762.db2.gz WFRNOZDCMXVNST-QGZVFWFLSA-N 1 3 385.472 0.790 20 0 GCADHO NCc1cn([C@@H]2CCC[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)C2)nn1 ZINC000420387705 1194225766 /nfs/dbraw/zinc/22/57/66/1194225766.db2.gz WFRNOZDCMXVNST-QGZVFWFLSA-N 1 3 385.472 0.790 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CCN1C1CC[NH+](C)CC1 ZINC000422103440 1194386061 /nfs/dbraw/zinc/38/60/61/1194386061.db2.gz GSESGRVOQJQIQU-FUHWJXTLSA-N 1 3 379.549 0.166 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000272659201 1194484185 /nfs/dbraw/zinc/48/41/85/1194484185.db2.gz HOBYBMAIPCCHOT-QGZVFWFLSA-N 1 3 389.500 0.401 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000272659199 1194484587 /nfs/dbraw/zinc/48/45/87/1194484587.db2.gz HOBYBMAIPCCHOT-KRWDZBQOSA-N 1 3 389.500 0.401 20 0 GCADHO COCC[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)CC1 ZINC000422238531 1194593321 /nfs/dbraw/zinc/59/33/21/1194593321.db2.gz LKNBJUSDWAOGES-UHFFFAOYSA-N 1 3 396.557 0.865 20 0 GCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000422290385 1194604168 /nfs/dbraw/zinc/60/41/68/1194604168.db2.gz AOQFMUGDJWXCJC-QGZVFWFLSA-N 1 3 380.533 0.689 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423092965 1194726835 /nfs/dbraw/zinc/72/68/35/1194726835.db2.gz FBMUTLAHUDKNTO-MRXNPFEDSA-N 1 3 380.464 0.292 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423093389 1194726888 /nfs/dbraw/zinc/72/68/88/1194726888.db2.gz HIBBCPZRIYJBSV-RDJZCZTQSA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423185438 1194734192 /nfs/dbraw/zinc/73/41/92/1194734192.db2.gz JKNOMLJJCPQMCY-LJQANCHMSA-N 1 3 393.576 0.463 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423164699 1194734664 /nfs/dbraw/zinc/73/46/64/1194734664.db2.gz OXILWHVEPNXRDD-SJLPKXTDSA-N 1 3 376.476 0.926 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423167283 1194734970 /nfs/dbraw/zinc/73/49/70/1194734970.db2.gz RXTGDLJKUSITCW-IAGOWNOFSA-N 1 3 376.476 0.784 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423166636 1194735209 /nfs/dbraw/zinc/73/52/09/1194735209.db2.gz RJOKXHMBGOWLKD-XUVXKRRUSA-N 1 3 399.539 0.962 20 0 GCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423207137 1194736663 /nfs/dbraw/zinc/73/66/63/1194736663.db2.gz RELNPLBJLZPHAN-INIZCTEOSA-N 1 3 382.892 0.416 20 0 GCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000423210537 1194736948 /nfs/dbraw/zinc/73/69/48/1194736948.db2.gz WZWAPLOKIVMHGV-HNNXBMFYSA-N 1 3 382.455 0.923 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423207757 1194736972 /nfs/dbraw/zinc/73/69/72/1194736972.db2.gz SFTLPSLKNABOKS-OAHLLOKOSA-N 1 3 398.454 0.431 20 0 GCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423210830 1194737629 /nfs/dbraw/zinc/73/76/29/1194737629.db2.gz XRPXDYHQBIIHOV-SCTDSRPQSA-N 1 3 394.560 0.792 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423200298 1194738700 /nfs/dbraw/zinc/73/87/00/1194738700.db2.gz FJIBRJDLMBASNM-MRXNPFEDSA-N 1 3 398.454 0.431 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000423204800 1194739848 /nfs/dbraw/zinc/73/98/48/1194739848.db2.gz OOWJEXAMOSLVGK-PZTGFMGMSA-N 1 3 394.560 0.778 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423220000 1194741048 /nfs/dbraw/zinc/74/10/48/1194741048.db2.gz XPTFPVDAOFUNCL-KURKYZTESA-N 1 3 380.533 0.404 20 0 GCADHO [NH3+]CCCOC1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC1 ZINC000423218976 1194741145 /nfs/dbraw/zinc/74/11/45/1194741145.db2.gz STHFHXAEHOVFHH-UHFFFAOYSA-N 1 3 380.533 0.820 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423218777 1194741206 /nfs/dbraw/zinc/74/12/06/1194741206.db2.gz WAVRXAUISCOZQK-QGZVFWFLSA-N 1 3 380.533 0.548 20 0 GCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)CCO1 ZINC000423233366 1194742426 /nfs/dbraw/zinc/74/24/26/1194742426.db2.gz OFPWVTVCQQGJAY-LJQANCHMSA-N 1 3 388.512 0.340 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1)Cc1ccccc1 ZINC000423263813 1194743138 /nfs/dbraw/zinc/74/31/38/1194743138.db2.gz PANGSRAKRWQOID-IBGZPJMESA-N 1 3 387.528 0.070 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1)Cc1ccccc1 ZINC000423263814 1194743212 /nfs/dbraw/zinc/74/32/12/1194743212.db2.gz PANGSRAKRWQOID-LJQANCHMSA-N 1 3 387.528 0.070 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000423271118 1194745478 /nfs/dbraw/zinc/74/54/78/1194745478.db2.gz XGLLPBPZQYRWQZ-LJQANCHMSA-N 1 3 387.528 0.212 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000423471256 1194758634 /nfs/dbraw/zinc/75/86/34/1194758634.db2.gz FDCQEAZSAVAQQO-RDJZCZTQSA-N 1 3 376.501 0.781 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000549965792 1194758918 /nfs/dbraw/zinc/75/89/18/1194758918.db2.gz NYUAERMDKNMARR-UHFFFAOYSA-N 1 3 397.564 0.234 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000423480315 1194759448 /nfs/dbraw/zinc/75/94/48/1194759448.db2.gz PGNTYOJYZIOMFB-ZWKOTPCHSA-N 1 3 388.512 0.653 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423494213 1194760916 /nfs/dbraw/zinc/76/09/16/1194760916.db2.gz ACEVVCKISUUGHN-FVJLSDCUSA-N 1 3 394.560 0.922 20 0 GCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423612555 1194773620 /nfs/dbraw/zinc/77/36/20/1194773620.db2.gz PWPCZPBIQVVXOH-QGZVFWFLSA-N 1 3 393.557 0.144 20 0 GCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423595379 1194774817 /nfs/dbraw/zinc/77/48/17/1194774817.db2.gz PXBCCYUVFPUSJS-LNLFQRSKSA-N 1 3 394.560 0.935 20 0 GCADHO CCCN(C(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423660700 1194780918 /nfs/dbraw/zinc/78/09/18/1194780918.db2.gz KSHHCWACXZDUMA-JENIJYKNSA-N 1 3 394.560 0.935 20 0 GCADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1=O ZINC000473559023 1194796910 /nfs/dbraw/zinc/79/69/10/1194796910.db2.gz CYXFGDGVIFCJKK-AQNXPRMDSA-N 1 3 384.524 0.987 20 0 GCADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1=O ZINC000473559023 1194796912 /nfs/dbraw/zinc/79/69/12/1194796912.db2.gz CYXFGDGVIFCJKK-AQNXPRMDSA-N 1 3 384.524 0.987 20 0 GCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c2)CC1 ZINC000504566625 1194798683 /nfs/dbraw/zinc/79/86/83/1194798683.db2.gz UZCKCRFHFLAWDZ-GOSISDBHSA-N 1 3 391.516 0.194 20 0 GCADHO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414780331 1194807499 /nfs/dbraw/zinc/80/74/99/1194807499.db2.gz SUNVZEOPGMAXKL-QGZVFWFLSA-N 1 3 390.484 0.676 20 0 GCADHO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N3CCCNCC3)CC2)C[C@H](C)O1 ZINC000514667695 1194893201 /nfs/dbraw/zinc/89/32/01/1194893201.db2.gz NURZDLQRUNQGLZ-CALCHBBNSA-N 1 3 380.533 0.546 20 0 GCADHO C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N3CCCNCC3)CC2)C[C@H](C)O1 ZINC000514667695 1194893204 /nfs/dbraw/zinc/89/32/04/1194893204.db2.gz NURZDLQRUNQGLZ-CALCHBBNSA-N 1 3 380.533 0.546 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000664473471 1194895956 /nfs/dbraw/zinc/89/59/56/1194895956.db2.gz RNZSJLZSNDBGJO-DLBZAZTESA-N 1 3 383.537 0.026 20 0 GCADHO CCNC(=O)COc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000435386917 1194926419 /nfs/dbraw/zinc/92/64/19/1194926419.db2.gz WEUJOEFNJZSISB-MRXNPFEDSA-N 1 3 392.500 0.497 20 0 GCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC(C[NH+]4CCN(C)CC4)CC3)[C@@H]2C1 ZINC000425390501 1194941067 /nfs/dbraw/zinc/94/10/67/1194941067.db2.gz QTJIKUHMDMHTPD-RBUKOAKNSA-N 1 3 391.560 0.025 20 0 GCADHO CN(CCNC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1)C1CC1 ZINC000414882909 1194999677 /nfs/dbraw/zinc/99/96/77/1194999677.db2.gz SNBSQHVIJALENS-UHFFFAOYSA-N 1 3 389.500 0.120 20 0 GCADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000516750703 1195090027 /nfs/dbraw/zinc/09/00/27/1195090027.db2.gz FZRWOQFZCOAYFZ-MOPGFXCFSA-N 1 3 389.544 0.361 20 0 GCADHO C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000549991858 1195115784 /nfs/dbraw/zinc/11/57/84/1195115784.db2.gz WKWVRPXWSKYSJC-IBGZPJMESA-N 1 3 388.512 0.604 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCC(C)CC1 ZINC000518247549 1195271351 /nfs/dbraw/zinc/27/13/51/1195271351.db2.gz FKUQRWRTKVMBQV-NZSAHSFTSA-N 1 3 394.560 0.717 20 0 GCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000518408912 1195288906 /nfs/dbraw/zinc/28/89/06/1195288906.db2.gz XPEVXJKVHPSEGC-GOSISDBHSA-N 1 3 395.592 0.614 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000518802354 1195335899 /nfs/dbraw/zinc/33/58/99/1195335899.db2.gz ALDBCYNZBUZALL-IEBWSBKVSA-N 1 3 391.560 0.214 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000518802354 1195335903 /nfs/dbraw/zinc/33/59/03/1195335903.db2.gz ALDBCYNZBUZALL-IEBWSBKVSA-N 1 3 391.560 0.214 20 0 GCADHO CC1CC[NH+](CCCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000550103744 1195436662 /nfs/dbraw/zinc/43/66/62/1195436662.db2.gz SLDIZWJDEODHFY-UHFFFAOYSA-N 1 3 381.565 0.367 20 0 GCADHO C[NH+](C)CCOc1ccc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000519609668 1195532726 /nfs/dbraw/zinc/53/27/26/1195532726.db2.gz IOUXNRWEZSTRSO-WMZOPIPTSA-N 1 3 389.500 0.123 20 0 GCADHO C[NH+](C)Cc1ccc(CNC[C@@]2(O)CCS(=O)(=O)C2)c2c1OC(F)(F)O2 ZINC000894877385 1195556486 /nfs/dbraw/zinc/55/64/86/1195556486.db2.gz WEOWKXHPGQXPBB-HNNXBMFYSA-N 1 3 392.424 0.709 20 0 GCADHO C[NH+](C)Cc1ccc(CNC[C@]2(O)CCS(=O)(=O)C2)c2c1OC(F)(F)O2 ZINC000894877386 1195556637 /nfs/dbraw/zinc/55/66/37/1195556637.db2.gz WEOWKXHPGQXPBB-OAHLLOKOSA-N 1 3 392.424 0.709 20 0 GCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000519704559 1195563887 /nfs/dbraw/zinc/56/38/87/1195563887.db2.gz DXMRXOHGCRNAKT-IRXDYDNUSA-N 1 3 380.533 0.452 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000415468710 1195567428 /nfs/dbraw/zinc/56/74/28/1195567428.db2.gz WRIDMMIYKZPXSG-GOSISDBHSA-N 1 3 375.517 0.862 20 0 GCADHO CC(C)Nc1nc(NCCO)nc(NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000550345076 1195638859 /nfs/dbraw/zinc/63/88/59/1195638859.db2.gz FREKJTFSAPIQOE-CQSZACIVSA-N 1 3 375.477 0.204 20 0 GCADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1)N1CCN(C)CC1 ZINC000550382365 1195650895 /nfs/dbraw/zinc/65/08/95/1195650895.db2.gz SGMUIWRVAXHCLD-QZTJIDSGSA-N 1 3 381.565 0.365 20 0 GCADHO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)N1CCN(C)CC1 ZINC000550383560 1195651429 /nfs/dbraw/zinc/65/14/29/1195651429.db2.gz MIVOLAJOZNYYEU-RTBURBONSA-N 1 3 393.576 0.461 20 0 GCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000474008109 1195827686 /nfs/dbraw/zinc/82/76/86/1195827686.db2.gz JYPATNUBRUFEFX-QGZVFWFLSA-N 1 3 397.564 0.464 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000428033009 1195904668 /nfs/dbraw/zinc/90/46/68/1195904668.db2.gz LWFUYZXXRFAIHS-QZTJIDSGSA-N 1 3 380.533 0.689 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000428033009 1195904672 /nfs/dbraw/zinc/90/46/72/1195904672.db2.gz LWFUYZXXRFAIHS-QZTJIDSGSA-N 1 3 380.533 0.689 20 0 GCADHO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443061647 1196017595 /nfs/dbraw/zinc/01/75/95/1196017595.db2.gz RWZLDYLCRYJABO-RRFJBIMHSA-N 1 3 382.530 0.961 20 0 GCADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000443061732 1196017691 /nfs/dbraw/zinc/01/76/91/1196017691.db2.gz SLWNJUMFZJGCJF-GOSISDBHSA-N 1 3 388.512 0.836 20 0 GCADHO CCOCCCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000469764982 1196022438 /nfs/dbraw/zinc/02/24/38/1196022438.db2.gz QRBPNUWZLHTLSW-NVXWUHKLSA-N 1 3 387.550 0.425 20 0 GCADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000522014941 1196034166 /nfs/dbraw/zinc/03/41/66/1196034166.db2.gz RSPHNEXLOGGOED-LULLPPNCSA-N 1 3 385.512 0.850 20 0 GCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000522014941 1196034168 /nfs/dbraw/zinc/03/41/68/1196034168.db2.gz RSPHNEXLOGGOED-LULLPPNCSA-N 1 3 385.512 0.850 20 0 GCADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000522014964 1196034860 /nfs/dbraw/zinc/03/48/60/1196034860.db2.gz RTIORQQKDLOORW-IRXDYDNUSA-N 1 3 387.484 0.237 20 0 GCADHO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000367052621 1196037283 /nfs/dbraw/zinc/03/72/83/1196037283.db2.gz LMVPSUJDCKSGFV-LJQANCHMSA-N 1 3 393.576 0.463 20 0 GCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1CCN1C(=O)CCC1=O ZINC001087579093 1196050196 /nfs/dbraw/zinc/05/01/96/1196050196.db2.gz HPXMOTUOHURFQZ-MWDXBVQZSA-N 1 3 378.517 0.835 20 0 GCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCN1CCN1C(=O)CCC1=O ZINC001087579093 1196050198 /nfs/dbraw/zinc/05/01/98/1196050198.db2.gz HPXMOTUOHURFQZ-MWDXBVQZSA-N 1 3 378.517 0.835 20 0 GCADHO CCNC(=O)CN1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000051758748 1196090330 /nfs/dbraw/zinc/09/03/30/1196090330.db2.gz YZLJKAVEIRYJMQ-UHFFFAOYSA-N 1 3 394.564 0.008 20 0 GCADHO CC1(C)CN(c2cc(N3CCN(CCO)C(C)(C)C3)ncn2)CCN1CCO ZINC000302542915 1196443224 /nfs/dbraw/zinc/44/32/24/1196443224.db2.gz OENGVXXSHWKJOA-UHFFFAOYSA-N 1 3 392.548 0.262 20 0 GCADHO CC1(C)CN(c2cc(N3CC[N@H+](CCO)C(C)(C)C3)ncn2)CCN1CCO ZINC000302542915 1196443230 /nfs/dbraw/zinc/44/32/30/1196443230.db2.gz OENGVXXSHWKJOA-UHFFFAOYSA-N 1 3 392.548 0.262 20 0 GCADHO CC1(C)CN(c2cc(N3CC[N@@H+](CCO)C(C)(C)C3)ncn2)CCN1CCO ZINC000302542915 1196443234 /nfs/dbraw/zinc/44/32/34/1196443234.db2.gz OENGVXXSHWKJOA-UHFFFAOYSA-N 1 3 392.548 0.262 20 0 GCADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000446363583 1196637876 /nfs/dbraw/zinc/63/78/76/1196637876.db2.gz NIAQBLCNOLHJKR-WRWLIDTKSA-N 1 3 378.517 0.286 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1Cc1ccccc1 ZINC000525882623 1196720383 /nfs/dbraw/zinc/72/03/83/1196720383.db2.gz RLONEKIULCQGOT-UHFFFAOYSA-N 1 3 386.500 0.822 20 0 GCADHO COc1cc(NC(C)=O)ccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525882368 1196720522 /nfs/dbraw/zinc/72/05/22/1196720522.db2.gz LHQJUZXNKAEZKD-UHFFFAOYSA-N 1 3 393.488 0.544 20 0 GCADHO CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000525882856 1196720843 /nfs/dbraw/zinc/72/08/43/1196720843.db2.gz FUEYHQITAMHLTM-UHFFFAOYSA-N 1 3 391.516 0.635 20 0 GCADHO CO[C@H](C[NH3+])CC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000447439875 1196722277 /nfs/dbraw/zinc/72/22/77/1196722277.db2.gz IZPWLNOTFSRPPP-IBGZPJMESA-N 1 3 390.528 0.837 20 0 GCADHO C[C@H](NCCOCC[NH+](C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000447599996 1196732506 /nfs/dbraw/zinc/73/25/06/1196732506.db2.gz LIAJUDQEUGNYTK-INIZCTEOSA-N 1 3 385.530 0.936 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000526131694 1196744194 /nfs/dbraw/zinc/74/41/94/1196744194.db2.gz GYCMJBGDXARZSR-UHFFFAOYSA-N 1 3 389.500 0.925 20 0 GCADHO CN1CCN(CCCCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000527329619 1196780040 /nfs/dbraw/zinc/78/00/40/1196780040.db2.gz HFRYQLZTZYQFFB-UHFFFAOYSA-N 1 3 389.544 0.873 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000527374035 1196784218 /nfs/dbraw/zinc/78/42/18/1196784218.db2.gz DQWAGTTUZQUPQE-UHFFFAOYSA-N 1 3 375.473 0.462 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1N1CCCCC1 ZINC000527373740 1196784247 /nfs/dbraw/zinc/78/42/47/1196784247.db2.gz CXDBZTNIVQHIML-UHFFFAOYSA-N 1 3 390.532 0.962 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000527374267 1196784253 /nfs/dbraw/zinc/78/42/53/1196784253.db2.gz BWKZSWKEPDBQDN-UHFFFAOYSA-N 1 3 389.500 0.704 20 0 GCADHO COCCN(C)CCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000371586600 1196910045 /nfs/dbraw/zinc/91/00/45/1196910045.db2.gz VZJLRZQWHSDIRQ-UHFFFAOYSA-N 1 3 386.500 0.872 20 0 GCADHO COCCN(C)CCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C ZINC000371586600 1196910047 /nfs/dbraw/zinc/91/00/47/1196910047.db2.gz VZJLRZQWHSDIRQ-UHFFFAOYSA-N 1 3 386.500 0.872 20 0 GCADHO CC(C)[C@H](CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N1CCN(C)CC1 ZINC000371663070 1196913640 /nfs/dbraw/zinc/91/36/40/1196913640.db2.gz FOFCZJWVYKFILD-PMACEKPBSA-N 1 3 394.608 0.680 20 0 GCADHO CC(C)[C@H](CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)N1CCN(C)CC1 ZINC000371663070 1196913642 /nfs/dbraw/zinc/91/36/42/1196913642.db2.gz FOFCZJWVYKFILD-PMACEKPBSA-N 1 3 394.608 0.680 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc2ncnn2c1 ZINC000453713330 1197125377 /nfs/dbraw/zinc/12/53/77/1197125377.db2.gz UOJHELUOUDQNNB-MRXNPFEDSA-N 1 3 387.488 0.542 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc2ncnn2c1 ZINC000453713330 1197125378 /nfs/dbraw/zinc/12/53/78/1197125378.db2.gz UOJHELUOUDQNNB-MRXNPFEDSA-N 1 3 387.488 0.542 20 0 GCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000897474954 1197365548 /nfs/dbraw/zinc/36/55/48/1197365548.db2.gz GOHYYESZISTLFS-BEFAXECRSA-N 1 3 391.541 0.672 20 0 GCADHO C[NH+](C)CCOc1cc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)ccn1 ZINC000359898958 1197379233 /nfs/dbraw/zinc/37/92/33/1197379233.db2.gz NOCYPYGGODRZEU-KRWDZBQOSA-N 1 3 389.500 0.576 20 0 GCADHO CCNC(=O)N1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000132202955 1197379965 /nfs/dbraw/zinc/37/99/65/1197379965.db2.gz RRAYKAIVGMHUCS-MRXNPFEDSA-N 1 3 380.537 0.648 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666753722 1197431756 /nfs/dbraw/zinc/43/17/56/1197431756.db2.gz DYALRAYBCYUQQI-UHFFFAOYSA-N 1 3 375.473 0.096 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643487666 1197532983 /nfs/dbraw/zinc/53/29/83/1197532983.db2.gz XRACCEYRIYKCCE-YJBOKZPZSA-N 1 3 376.476 0.926 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643487664 1197533054 /nfs/dbraw/zinc/53/30/54/1197533054.db2.gz XRACCEYRIYKCCE-MAUKXSAKSA-N 1 3 376.476 0.926 20 0 GCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)CCO1 ZINC000643487631 1197533156 /nfs/dbraw/zinc/53/31/56/1197533156.db2.gz UZAZXEHKBAMHHG-YOEHRIQHSA-N 1 3 380.464 0.291 20 0 GCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000542745770 1199021011 /nfs/dbraw/zinc/02/10/11/1199021011.db2.gz ZKPNZNWRZGAJBJ-SFHVURJKSA-N 1 3 383.581 0.748 20 0 GCADHO CC(C)[C@@H](CNC(=O)NC1CCN(CC(=O)N(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000109393212 1199096559 /nfs/dbraw/zinc/09/65/59/1199096559.db2.gz JABWTGAOPOUYCZ-GOSISDBHSA-N 1 3 396.580 0.110 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672204343 1199159297 /nfs/dbraw/zinc/15/92/97/1199159297.db2.gz LPDQRVYMKYARFI-MSOLQXFVSA-N 1 3 379.549 0.215 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672204343 1199159301 /nfs/dbraw/zinc/15/93/01/1199159301.db2.gz LPDQRVYMKYARFI-MSOLQXFVSA-N 1 3 379.549 0.215 20 0 GCADHO CN1CCN(CC(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1 ZINC000075292388 1199162110 /nfs/dbraw/zinc/16/21/10/1199162110.db2.gz VSWMBZSTXNQLQU-UHFFFAOYSA-N 1 3 375.517 0.499 20 0 GCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000465921767 1199179711 /nfs/dbraw/zinc/17/97/11/1199179711.db2.gz AECDXLGCWFTROO-LJQANCHMSA-N 1 3 383.581 0.892 20 0 GCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000465921767 1199179713 /nfs/dbraw/zinc/17/97/13/1199179713.db2.gz AECDXLGCWFTROO-LJQANCHMSA-N 1 3 383.581 0.892 20 0 GCADHO CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639895 1199295401 /nfs/dbraw/zinc/29/54/01/1199295401.db2.gz OKABFGUZOOYNJD-WMZOPIPTSA-N 1 3 379.549 0.070 20 0 GCADHO CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639895 1199295407 /nfs/dbraw/zinc/29/54/07/1199295407.db2.gz OKABFGUZOOYNJD-WMZOPIPTSA-N 1 3 379.549 0.070 20 0 GCADHO CCN1C[C@H](C)N(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@@H]1C ZINC000672639983 1199296663 /nfs/dbraw/zinc/29/66/63/1199296663.db2.gz QNGOXGDOOBQMNR-ULQDDVLXSA-N 1 3 379.549 0.212 20 0 GCADHO CCN1C[C@H](C)N(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@@H]1C ZINC000672639983 1199296666 /nfs/dbraw/zinc/29/66/66/1199296666.db2.gz QNGOXGDOOBQMNR-ULQDDVLXSA-N 1 3 379.549 0.212 20 0 GCADHO Cc1c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n(C)nc1C(F)(F)F ZINC000672966757 1199380761 /nfs/dbraw/zinc/38/07/61/1199380761.db2.gz OAIUMUMGMKWCKC-UHFFFAOYSA-N 1 3 392.426 0.638 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000423471880 1199479364 /nfs/dbraw/zinc/47/93/64/1199479364.db2.gz FORRAJKFCACWJK-OAQYLSRUSA-N 1 3 388.512 0.940 20 0 GCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CCCO1 ZINC000673428057 1199630352 /nfs/dbraw/zinc/63/03/52/1199630352.db2.gz UVMHMFFXZSCFPB-KRWDZBQOSA-N 1 3 394.516 0.787 20 0 GCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CCCO1 ZINC000673428057 1199630357 /nfs/dbraw/zinc/63/03/57/1199630357.db2.gz UVMHMFFXZSCFPB-KRWDZBQOSA-N 1 3 394.516 0.787 20 0 GCADHO CC(C)[C@@H]1CN(C)CCN1C(=O)COCC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000153988175 1199782531 /nfs/dbraw/zinc/78/25/31/1199782531.db2.gz FPFFRWQSSRZXJN-HDICACEKSA-N 1 3 382.549 0.600 20 0 GCADHO CC(C)[C@@H]1CN(C)CCN1C(=O)COCC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000153988175 1199782536 /nfs/dbraw/zinc/78/25/36/1199782536.db2.gz FPFFRWQSSRZXJN-HDICACEKSA-N 1 3 382.549 0.600 20 0 GCADHO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)COCC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000153988175 1199782540 /nfs/dbraw/zinc/78/25/40/1199782540.db2.gz FPFFRWQSSRZXJN-HDICACEKSA-N 1 3 382.549 0.600 20 0 GCADHO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)COCC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000153988175 1199782544 /nfs/dbraw/zinc/78/25/44/1199782544.db2.gz FPFFRWQSSRZXJN-HDICACEKSA-N 1 3 382.549 0.600 20 0 GCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583050 1199829648 /nfs/dbraw/zinc/82/96/48/1199829648.db2.gz MQEGIBIGIFLKJA-KZNAEPCWSA-N 1 3 378.517 0.081 20 0 GCADHO CN(C)CCN(Cc1ccco1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000674872031 1200328537 /nfs/dbraw/zinc/32/85/37/1200328537.db2.gz KMFZNMADGVAWJM-MRXNPFEDSA-N 1 3 379.505 0.940 20 0 GCADHO CN(C)CCN(Cc1ccco1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000674872031 1200328542 /nfs/dbraw/zinc/32/85/42/1200328542.db2.gz KMFZNMADGVAWJM-MRXNPFEDSA-N 1 3 379.505 0.940 20 0 GCADHO [NH3+]CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000923486771 1201036615 /nfs/dbraw/zinc/03/66/15/1201036615.db2.gz JRASOHMDHDWIHU-KRWDZBQOSA-N 1 3 394.541 0.331 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCN3C(=O)CNC3=O)C[C@H]2C)CC[N@@H+]1C ZINC001079732972 1201256332 /nfs/dbraw/zinc/25/63/32/1201256332.db2.gz XJSMZAMZAZHVOE-QKPAOTATSA-N 1 3 379.505 0.095 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCN3C(=O)CNC3=O)C[C@H]2C)CC[N@H+]1C ZINC001079732972 1201256337 /nfs/dbraw/zinc/25/63/37/1201256337.db2.gz XJSMZAMZAZHVOE-QKPAOTATSA-N 1 3 379.505 0.095 20 0 GCADHO Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@H]2C)n[nH]1 ZINC001082518660 1201336287 /nfs/dbraw/zinc/33/62/87/1201336287.db2.gz XODMFSYHIFHPDF-QUIPCFFLSA-N 1 3 390.532 0.797 20 0 GCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000731502085 1201485915 /nfs/dbraw/zinc/48/59/15/1201485915.db2.gz GJQWYYJNXWFQCU-IRXDYDNUSA-N 1 3 381.521 0.092 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(CCN4C(=O)CNC4=O)[C@H]3C2)CC[N@@H+]1C ZINC001084944804 1201502952 /nfs/dbraw/zinc/50/29/52/1201502952.db2.gz NVLPXPBOLIJHSS-TWMKSMIVSA-N 1 3 391.516 0.191 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(CCN4C(=O)CNC4=O)[C@H]3C2)CC[N@H+]1C ZINC001084944804 1201502956 /nfs/dbraw/zinc/50/29/56/1201502956.db2.gz NVLPXPBOLIJHSS-TWMKSMIVSA-N 1 3 391.516 0.191 20 0 GCADHO CCN1CCCN(C(=O)COCCOCC(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000732096148 1201517998 /nfs/dbraw/zinc/51/79/98/1201517998.db2.gz XTABPHXVDVWAPR-UHFFFAOYSA-N 1 3 398.548 0.128 20 0 GCADHO CCN1CCCN(C(=O)COCCOCC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000732096148 1201518000 /nfs/dbraw/zinc/51/80/00/1201518000.db2.gz XTABPHXVDVWAPR-UHFFFAOYSA-N 1 3 398.548 0.128 20 0 GCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741415837 1201778900 /nfs/dbraw/zinc/77/89/00/1201778900.db2.gz XSLGKMJNYHBLKO-SFHLNBCPSA-N 1 3 388.512 0.786 20 0 GCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741415837 1201778904 /nfs/dbraw/zinc/77/89/04/1201778904.db2.gz XSLGKMJNYHBLKO-SFHLNBCPSA-N 1 3 388.512 0.786 20 0 GCADHO Cc1ncn(-c2ccc(C(=O)NC3CCN(C)CC3)nn2)c1CSCC[NH3+] ZINC001168787065 1201923622 /nfs/dbraw/zinc/92/36/22/1201923622.db2.gz ZQYIQQGTXIRSJR-UHFFFAOYSA-N 1 3 389.529 0.987 20 0 GCADHO COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1-n1cc(CC[NH3+])cn1 ZINC001168947141 1201929102 /nfs/dbraw/zinc/92/91/02/1201929102.db2.gz SLWOTNTYUQVYMI-OAHLLOKOSA-N 1 3 375.473 0.874 20 0 GCADHO CC[NH+]1CCC(NCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1 ZINC001169229878 1201940170 /nfs/dbraw/zinc/94/01/70/1201940170.db2.gz IZFVWPOCEMBAJU-BQFCYCMXSA-N 1 3 397.589 0.902 20 0 GCADHO CCOC(=O)[C@H]1CC[C@@H](N2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CO1 ZINC001169389894 1201944898 /nfs/dbraw/zinc/94/48/98/1201944898.db2.gz UCVQSQVSMVVOLN-IEBWSBKVSA-N 1 3 391.512 0.921 20 0 GCADHO C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cc1ccccc1 ZINC001109977280 1202165232 /nfs/dbraw/zinc/16/52/32/1202165232.db2.gz BTVZGZUCELLKMV-ZRNYENFQSA-N 1 3 375.513 0.890 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000787703829 1205399468 /nfs/dbraw/zinc/39/94/68/1205399468.db2.gz DNTTXIDMBZXCHZ-MHORFTMASA-N 1 3 380.533 0.450 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000787703829 1205399472 /nfs/dbraw/zinc/39/94/72/1205399472.db2.gz DNTTXIDMBZXCHZ-MHORFTMASA-N 1 3 380.533 0.450 20 0 GCADHO CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000787893987 1205405198 /nfs/dbraw/zinc/40/51/98/1205405198.db2.gz HJINEBFJJOGUQA-MSOLQXFVSA-N 1 3 380.533 0.594 20 0 GCADHO O=C1O[C@]2(CN1CN1CCN(CC3CCOCC3)CC1)C[NH+]1CCC2CC1 ZINC000790364528 1205463342 /nfs/dbraw/zinc/46/33/42/1205463342.db2.gz ZMZTWODASQIHEH-FQEVSTJZSA-N 1 3 378.517 0.905 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)N1CCCCC1 ZINC000793699834 1205504351 /nfs/dbraw/zinc/50/43/51/1205504351.db2.gz BKZQVXFOBTVVOY-KRWDZBQOSA-N 1 3 380.533 0.738 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCCOCC(F)F)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129856039 1205521224 /nfs/dbraw/zinc/52/12/24/1205521224.db2.gz VTIXLZLUPLMEEA-TUVASFSCSA-N 1 3 386.447 0.242 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCCOCC(F)F)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129856039 1205521226 /nfs/dbraw/zinc/52/12/26/1205521226.db2.gz VTIXLZLUPLMEEA-TUVASFSCSA-N 1 3 386.447 0.242 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCCOC(C)C)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129858063 1205521338 /nfs/dbraw/zinc/52/13/38/1205521338.db2.gz NHEIPUZZXGADAK-MLHJIOFPSA-N 1 3 378.521 0.775 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCCOC(C)C)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129858063 1205521341 /nfs/dbraw/zinc/52/13/41/1205521341.db2.gz NHEIPUZZXGADAK-MLHJIOFPSA-N 1 3 378.521 0.775 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000807698219 1205588883 /nfs/dbraw/zinc/58/88/83/1205588883.db2.gz IDAWPFVDGOHIAM-QGZVFWFLSA-N 1 3 376.501 0.448 20 0 GCADHO C[NH+](C)CCn1cc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cn1 ZINC000747558238 1205623402 /nfs/dbraw/zinc/62/34/02/1205623402.db2.gz SQINVUVDURBQSU-LJQANCHMSA-N 1 3 386.500 0.985 20 0 GCADHO CN(C)CCN1CCN(C)C2(CC[NH+]([C@@H]3CCN(C4CC4)C(=O)C3)CC2)C1=O ZINC001172017693 1205711837 /nfs/dbraw/zinc/71/18/37/1205711837.db2.gz YTRUBSGOGBZRRI-GOSISDBHSA-N 1 3 391.560 0.310 20 0 GCADHO Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)S(C)(=O)=O)cn1 ZINC001172119679 1205713264 /nfs/dbraw/zinc/71/32/64/1205713264.db2.gz YUKNNNRYODQCIF-XCDZQEORSA-N 1 3 395.573 0.970 20 0 GCADHO COCCCN1CCC(N(Cc2ncn3c2C[NH2+]CCC3)S(C)(=O)=O)CC1 ZINC001172251694 1205715014 /nfs/dbraw/zinc/71/50/14/1205715014.db2.gz VBIYLSSCQJOQSP-UHFFFAOYSA-N 1 3 399.561 0.639 20 0 GCADHO COCCC[NH+]1CCC(N2C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001172257886 1205715034 /nfs/dbraw/zinc/71/50/34/1205715034.db2.gz RLDILHGGYYMCNM-SFHVURJKSA-N 1 3 380.533 0.356 20 0 GCADHO COCCCN1CCC(N([C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)S(C)(=O)=O)CC1 ZINC001172251943 1205715229 /nfs/dbraw/zinc/71/52/29/1205715229.db2.gz ZHVWBESAVNLFFX-JQHSSLGASA-N 1 3 389.562 0.516 20 0 GCADHO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCCN(C1CC[NH+](CCCOC)CC1)C2 ZINC001172251042 1205715261 /nfs/dbraw/zinc/71/52/61/1205715261.db2.gz LEVHZSBTKLMKKC-AZUAARDMSA-N 1 3 383.533 0.873 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cnc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001176836376 1205756305 /nfs/dbraw/zinc/75/63/05/1205756305.db2.gz HETQCCPSAOCPGR-GIVGJKMXSA-N 1 3 397.520 0.248 20 0 GCADHO CC(=O)N1CCC([NH+]2CCC(C(=O)NC3(CO)CCN(C)CC3)CC2)CC1 ZINC001179017484 1205798066 /nfs/dbraw/zinc/79/80/66/1205798066.db2.gz JIAJITGLSISXMZ-UHFFFAOYSA-N 1 3 380.533 0.282 20 0 GCADHO CC(C)[C@H](O)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001179607721 1205812470 /nfs/dbraw/zinc/81/24/70/1205812470.db2.gz XIHWPCFADAOQFK-BBAVMRQUSA-N 1 3 389.537 0.299 20 0 GCADHO CS(=O)(=O)N(C(=O)CCN1CCC(C(N)=O)CC1)c1ccc(C[NH3+])cc1 ZINC001180611690 1205828666 /nfs/dbraw/zinc/82/86/66/1205828666.db2.gz FOTXSBUHUXRGJX-UHFFFAOYSA-N 1 3 382.486 0.025 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC(F)F)[C@@H](O)OC(C)(C)C)C1 ZINC001182967289 1205884331 /nfs/dbraw/zinc/88/43/31/1205884331.db2.gz QQXSTULAENWFCT-LTVHRWTQSA-N 1 3 381.464 0.937 20 0 GCADHO CC[C@H](CO)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001183174055 1205888269 /nfs/dbraw/zinc/88/82/69/1205888269.db2.gz OKVMJPBSJCTINZ-MVFSYPETSA-N 1 3 389.537 0.301 20 0 GCADHO COC(=O)/C=C1\SCC(=O)N1CCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000774727466 1205906397 /nfs/dbraw/zinc/90/63/97/1205906397.db2.gz WGABRADUUWEGBG-JXAWBTAJSA-N 1 3 398.573 0.924 20 0 GCADHO COC(=O)/C=C1\SCC(=O)N1CCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000774727466 1205906398 /nfs/dbraw/zinc/90/63/98/1205906398.db2.gz WGABRADUUWEGBG-JXAWBTAJSA-N 1 3 398.573 0.924 20 0 GCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000774925725 1205928675 /nfs/dbraw/zinc/92/86/75/1205928675.db2.gz VPMHOBPXWPIVRX-FHWLQOOXSA-N 1 3 388.512 0.255 20 0 GCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000774925725 1205928676 /nfs/dbraw/zinc/92/86/76/1205928676.db2.gz VPMHOBPXWPIVRX-FHWLQOOXSA-N 1 3 388.512 0.255 20 0 GCADHO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCCC23CCN(CC(=O)N(C)C)CC3)C1 ZINC001186107854 1205935268 /nfs/dbraw/zinc/93/52/68/1205935268.db2.gz YGPBAGTZFSPFFZ-INIZCTEOSA-N 1 3 394.516 0.027 20 0 GCADHO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCCC23CCN(CC(=O)N(C)C)CC3)C1 ZINC001186107854 1205935269 /nfs/dbraw/zinc/93/52/69/1205935269.db2.gz YGPBAGTZFSPFFZ-INIZCTEOSA-N 1 3 394.516 0.027 20 0 GCADHO CCOC(=O)CN(CC[NH3+])C(=O)c1ccc(CN2CCN(CC)CC2)cc1 ZINC001190865750 1206049002 /nfs/dbraw/zinc/04/90/02/1206049002.db2.gz JNKDZEZHBNJUJC-UHFFFAOYSA-N 1 3 376.501 0.788 20 0 GCADHO CNC(=O)CN1CCCC12CCN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164686583 719731055 /nfs/dbraw/zinc/73/10/55/719731055.db2.gz PRMIXUZBUMKRBS-UHFFFAOYSA-N 1 3 387.532 0.585 20 0 GCADHO c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nnc1OC1CC[NH2+]CC1 ZINC001164745810 720769088 /nfs/dbraw/zinc/76/90/88/720769088.db2.gz VWPROYGSYWMZFD-NVXWUHKLSA-N 1 3 397.483 0.739 20 0 GCADHO c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164866028 721061190 /nfs/dbraw/zinc/06/11/90/721061190.db2.gz BTIRVDXVJCWRKN-MOPGFXCFSA-N 1 3 395.511 0.761 20 0 GCADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001164927927 721876185 /nfs/dbraw/zinc/87/61/85/721876185.db2.gz XFWFYEAZTIOTMP-ROUUACIJSA-N 1 3 387.532 0.131 20 0 GCADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001164927927 721876187 /nfs/dbraw/zinc/87/61/87/721876187.db2.gz XFWFYEAZTIOTMP-ROUUACIJSA-N 1 3 387.532 0.131 20 0 GCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575091651 951780886 /nfs/dbraw/zinc/78/08/86/951780886.db2.gz TZOPZJJBLXDMNE-GXTWGEPZSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575091651 951780889 /nfs/dbraw/zinc/78/08/89/951780889.db2.gz TZOPZJJBLXDMNE-GXTWGEPZSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101243 951855364 /nfs/dbraw/zinc/85/53/64/951855364.db2.gz BGJCAJYCHCHWEL-GXTWGEPZSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101243 951855368 /nfs/dbraw/zinc/85/53/68/951855368.db2.gz BGJCAJYCHCHWEL-GXTWGEPZSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101243 951855375 /nfs/dbraw/zinc/85/53/75/951855375.db2.gz BGJCAJYCHCHWEL-GXTWGEPZSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101243 951855380 /nfs/dbraw/zinc/85/53/80/951855380.db2.gz BGJCAJYCHCHWEL-GXTWGEPZSA-N 1 3 375.452 0.799 20 0 GCADHO C[NH+](C)CCOc1cc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)ccn1 ZINC000825870612 608101825 /nfs/dbraw/zinc/10/18/25/608101825.db2.gz UWSDSATYHZBRCU-AWEZNQCLSA-N 1 3 398.475 0.230 20 0 GCADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911503508 639517592 /nfs/dbraw/zinc/51/75/92/639517592.db2.gz NSHMKSINLLVLNW-UHFFFAOYSA-N 1 3 397.317 0.947 20 0 GCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1ccc(Br)cc1=O ZINC000869236795 641419889 /nfs/dbraw/zinc/41/98/89/641419889.db2.gz JHLYQXHAPCDVAM-ZDUSSCGKSA-N 1 3 387.322 0.999 20 0 GCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1ccc(Br)cc1=O ZINC000869236795 641419893 /nfs/dbraw/zinc/41/98/93/641419893.db2.gz JHLYQXHAPCDVAM-ZDUSSCGKSA-N 1 3 387.322 0.999 20 0 GCADHO Cn1ncc(I)c1CN[C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925727519 641915758 /nfs/dbraw/zinc/91/57/58/641915758.db2.gz GWLWQZSPHKJJDS-PSMDHCFWSA-N 1 3 376.242 0.867 20 0 GCADHO CCOC(=O)[C@H]1CCCN(CC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000909397661 1192227036 /nfs/dbraw/zinc/22/70/36/1192227036.db2.gz ZMFMINPXTOHUGS-KRWDZBQOSA-N 1 3 382.549 0.794 20 0 GCADHO O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652624638 1192257396 /nfs/dbraw/zinc/25/73/96/1192257396.db2.gz MCBWSDFKMKSFKI-MRXNPFEDSA-N 1 3 392.525 0.918 20 0 GCADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000162576052 1192297989 /nfs/dbraw/zinc/29/79/89/1192297989.db2.gz SKICPJRIYNHECZ-GOSISDBHSA-N 1 3 379.549 0.214 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](c2ccccc2)O1 ZINC000563147624 1192360346 /nfs/dbraw/zinc/36/03/46/1192360346.db2.gz PFNCOBUZSGYSLC-IEBWSBKVSA-N 1 3 390.528 0.927 20 0 GCADHO CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCN(C)CC1 ZINC000663562301 1192391067 /nfs/dbraw/zinc/39/10/67/1192391067.db2.gz YULPGQPDXAYSCE-MOPGFXCFSA-N 1 3 381.565 0.811 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652673310 1192429456 /nfs/dbraw/zinc/42/94/56/1192429456.db2.gz KUZWIADWCUDSLE-HVMFNXBNSA-N 1 3 394.560 0.968 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652673311 1192429992 /nfs/dbraw/zinc/42/99/92/1192429992.db2.gz KUZWIADWCUDSLE-ICBNADEASA-N 1 3 394.560 0.968 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)N1CCC(C)CC1 ZINC000652677884 1192475801 /nfs/dbraw/zinc/47/58/01/1192475801.db2.gz KZJMRYQJAPUXAJ-XWSJACJDSA-N 1 3 394.560 0.968 20 0 GCADHO CN(CCNC(=O)C1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1)Cc1ccccc1 ZINC000432534540 1192539140 /nfs/dbraw/zinc/53/91/40/1192539140.db2.gz LAZMDVXTHGOQIZ-RBUKOAKNSA-N 1 3 388.512 0.196 20 0 GCADHO C[NH+](C)CC1(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCCC1 ZINC000669232469 1192571532 /nfs/dbraw/zinc/57/15/32/1192571532.db2.gz LUUWLMYVRSVXKT-KRWDZBQOSA-N 1 3 380.533 0.594 20 0 GCADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261635583 1192618592 /nfs/dbraw/zinc/61/85/92/1192618592.db2.gz FGERIKIPOQZJMS-OAHLLOKOSA-N 1 3 394.463 0.863 20 0 GCADHO COC[C@@]1(CNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418646889 1192623514 /nfs/dbraw/zinc/62/35/14/1192623514.db2.gz XKPGNBJJHSBEPP-PMACEKPBSA-N 1 3 376.501 0.691 20 0 GCADHO COC[C@]1(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CCC[NH2+]1 ZINC000418657602 1192624827 /nfs/dbraw/zinc/62/48/27/1192624827.db2.gz RIEBKKCUQXSRIH-SFHLNBCPSA-N 1 3 390.528 0.937 20 0 GCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418765029 1192640426 /nfs/dbraw/zinc/64/04/26/1192640426.db2.gz AVZVHGWETIHKAA-LJQANCHMSA-N 1 3 387.528 0.655 20 0 GCADHO [NH3+]C[C@@H](NC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000418786440 1192643729 /nfs/dbraw/zinc/64/37/29/1192643729.db2.gz RVLHMYZURDDILY-LJQANCHMSA-N 1 3 387.528 0.559 20 0 GCADHO [NH3+][C@@H](CNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000418789967 1192644070 /nfs/dbraw/zinc/64/40/70/1192644070.db2.gz XHBRMBLAQPDLNC-IBGZPJMESA-N 1 3 387.528 0.559 20 0 GCADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418781452 1192644783 /nfs/dbraw/zinc/64/47/83/1192644783.db2.gz MGOFIFNQBNOJIY-UHFFFAOYSA-N 1 3 399.539 0.741 20 0 GCADHO COc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)N(C)C)cc1OC ZINC000418828449 1192658175 /nfs/dbraw/zinc/65/81/75/1192658175.db2.gz HYXYLLMDWQUSDJ-UKRRQHHQSA-N 1 3 378.473 0.243 20 0 GCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000418864889 1192672123 /nfs/dbraw/zinc/67/21/23/1192672123.db2.gz RAWHXXGMBABFGS-QZTJIDSGSA-N 1 3 376.501 0.762 20 0 GCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000418864893 1192672195 /nfs/dbraw/zinc/67/21/95/1192672195.db2.gz RAWHXXGMBABFGS-ZWKOTPCHSA-N 1 3 376.501 0.762 20 0 GCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000418864891 1192672290 /nfs/dbraw/zinc/67/22/90/1192672290.db2.gz RAWHXXGMBABFGS-ROUUACIJSA-N 1 3 376.501 0.762 20 0 GCADHO C[C@H]([NH2+]C1(CNC(=O)C(=O)NC[C@@H]2CNCCO2)CCCC1)c1ccccc1 ZINC000418870393 1192673259 /nfs/dbraw/zinc/67/32/59/1192673259.db2.gz UAIAEUYWWXYVIJ-WMZOPIPTSA-N 1 3 388.512 0.871 20 0 GCADHO N[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000418883293 1192678354 /nfs/dbraw/zinc/67/83/54/1192678354.db2.gz USGHOURRECCZDA-WOJBJXKFSA-N 1 3 396.491 0.686 20 0 GCADHO N[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000418883293 1192678357 /nfs/dbraw/zinc/67/83/57/1192678357.db2.gz USGHOURRECCZDA-WOJBJXKFSA-N 1 3 396.491 0.686 20 0 GCADHO N[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000418883291 1192678895 /nfs/dbraw/zinc/67/88/95/1192678895.db2.gz USGHOURRECCZDA-UXHICEINSA-N 1 3 396.491 0.686 20 0 GCADHO N[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000418883291 1192678899 /nfs/dbraw/zinc/67/88/99/1192678899.db2.gz USGHOURRECCZDA-UXHICEINSA-N 1 3 396.491 0.686 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)[C@H](C[NH3+])C1 ZINC000418877407 1192674961 /nfs/dbraw/zinc/67/49/61/1192674961.db2.gz ORUSLGDLFOCOJC-OKZBNKHCSA-N 1 3 376.501 0.240 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000418955861 1192701700 /nfs/dbraw/zinc/70/17/00/1192701700.db2.gz RFEACGHNYAEXOK-ORQFMDKSSA-N 1 3 396.532 0.100 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000418996789 1192711805 /nfs/dbraw/zinc/71/18/05/1192711805.db2.gz KOAUFIUMCOQRRR-NVXWUHKLSA-N 1 3 376.501 0.854 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000418996789 1192711809 /nfs/dbraw/zinc/71/18/09/1192711809.db2.gz KOAUFIUMCOQRRR-NVXWUHKLSA-N 1 3 376.501 0.854 20 0 GCADHO CO[C@H](CNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000418996705 1192712038 /nfs/dbraw/zinc/71/20/38/1192712038.db2.gz RBQQJAOJEKIJNQ-GOSISDBHSA-N 1 3 390.528 0.883 20 0 GCADHO CO[C@@H](CNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000418996708 1192712197 /nfs/dbraw/zinc/71/21/97/1192712197.db2.gz RBQQJAOJEKIJNQ-SFHVURJKSA-N 1 3 390.528 0.883 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419021269 1192725982 /nfs/dbraw/zinc/72/59/82/1192725982.db2.gz GQLQTFBTHVXCDU-NEPXVJNWSA-N 1 3 394.560 0.968 20 0 GCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000419030529 1192733215 /nfs/dbraw/zinc/73/32/15/1192733215.db2.gz HVMGDGUGAJLDLG-INIZCTEOSA-N 1 3 382.574 0.922 20 0 GCADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419032559 1192733237 /nfs/dbraw/zinc/73/32/37/1192733237.db2.gz WAWMOEVTWLCLSA-WMLDXEAASA-N 1 3 376.501 0.984 20 0 GCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419032559 1192733241 /nfs/dbraw/zinc/73/32/41/1192733241.db2.gz WAWMOEVTWLCLSA-WMLDXEAASA-N 1 3 376.501 0.984 20 0 GCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1cccc(OC)c1 ZINC000419074758 1192773085 /nfs/dbraw/zinc/77/30/85/1192773085.db2.gz MGSQYRUIKYCWOQ-MSOLQXFVSA-N 1 3 392.500 0.299 20 0 GCADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419098527 1192784556 /nfs/dbraw/zinc/78/45/56/1192784556.db2.gz CJSIAKSNIYYMLB-QZTJIDSGSA-N 1 3 388.512 0.508 20 0 GCADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419098527 1192784558 /nfs/dbraw/zinc/78/45/58/1192784558.db2.gz CJSIAKSNIYYMLB-QZTJIDSGSA-N 1 3 388.512 0.508 20 0 GCADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419098529 1192784652 /nfs/dbraw/zinc/78/46/52/1192784652.db2.gz CJSIAKSNIYYMLB-ZWKOTPCHSA-N 1 3 388.512 0.508 20 0 GCADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419098529 1192784655 /nfs/dbraw/zinc/78/46/55/1192784655.db2.gz CJSIAKSNIYYMLB-ZWKOTPCHSA-N 1 3 388.512 0.508 20 0 GCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419084447 1192779245 /nfs/dbraw/zinc/77/92/45/1192779245.db2.gz YNZMYEABDALBLB-SJORKVTESA-N 1 3 395.548 0.213 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)N1CCC(C)CC1 ZINC000419141088 1192813168 /nfs/dbraw/zinc/81/31/68/1192813168.db2.gz AOSPKRDWECWZJN-BHIYHBOVSA-N 1 3 394.560 0.968 20 0 GCADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419161398 1192818933 /nfs/dbraw/zinc/81/89/33/1192818933.db2.gz DMDUNJIBYBDMDA-QRVBRYPASA-N 1 3 386.496 0.214 20 0 GCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419161669 1192820394 /nfs/dbraw/zinc/82/03/94/1192820394.db2.gz FAUFSADPXUNKHF-RBUKOAKNSA-N 1 3 388.512 0.604 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N1CCC(C)CC1 ZINC000419162033 1192820610 /nfs/dbraw/zinc/82/06/10/1192820610.db2.gz SWGJZPBXBPYSCU-SJORKVTESA-N 1 3 395.548 0.069 20 0 GCADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419163554 1192820990 /nfs/dbraw/zinc/82/09/90/1192820990.db2.gz LOYOQKAMEKYVFG-RTBURBONSA-N 1 3 390.528 0.754 20 0 GCADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419162834 1192821316 /nfs/dbraw/zinc/82/13/16/1192821316.db2.gz ICKSGNKGRPYOAR-GOSISDBHSA-N 1 3 376.501 0.510 20 0 GCADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419163020 1192821648 /nfs/dbraw/zinc/82/16/48/1192821648.db2.gz IOWRXASHSHQLJO-QRVBRYPASA-N 1 3 388.512 0.637 20 0 GCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419163021 1192821832 /nfs/dbraw/zinc/82/18/32/1192821832.db2.gz IOWRXASHSHQLJO-QYZOEREBSA-N 1 3 388.512 0.637 20 0 GCADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419166096 1192822443 /nfs/dbraw/zinc/82/24/43/1192822443.db2.gz OHUVUJNAZJZLEN-SFHVURJKSA-N 1 3 376.501 0.462 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[NH+]1CCC(C)CC1 ZINC000419156079 1192824773 /nfs/dbraw/zinc/82/47/73/1192824773.db2.gz JDWWCAOQHZNGOY-RDJZCZTQSA-N 1 3 391.520 0.137 20 0 GCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419171368 1192825683 /nfs/dbraw/zinc/82/56/83/1192825683.db2.gz XNOKPSMUXNEQQD-GOSISDBHSA-N 1 3 390.528 0.837 20 0 GCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419172286 1192825716 /nfs/dbraw/zinc/82/57/16/1192825716.db2.gz YWVNAYOBWTZETP-MOPGFXCFSA-N 1 3 390.528 0.883 20 0 GCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419167664 1192829582 /nfs/dbraw/zinc/82/95/82/1192829582.db2.gz QRYQWCLMVZCBEX-SJLPKXTDSA-N 1 3 376.501 0.365 20 0 GCADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000419194788 1192832515 /nfs/dbraw/zinc/83/25/15/1192832515.db2.gz UEBJMAJARUQCEF-VQIMIIECSA-N 1 3 388.512 0.782 20 0 GCADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000419194788 1192832519 /nfs/dbraw/zinc/83/25/19/1192832519.db2.gz UEBJMAJARUQCEF-VQIMIIECSA-N 1 3 388.512 0.782 20 0 GCADHO CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000410696804 1192832820 /nfs/dbraw/zinc/83/28/20/1192832820.db2.gz IIPAVISAWJXDOX-SFHVURJKSA-N 1 3 381.565 0.269 20 0 GCADHO CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000410696804 1192832825 /nfs/dbraw/zinc/83/28/25/1192832825.db2.gz IIPAVISAWJXDOX-SFHVURJKSA-N 1 3 381.565 0.269 20 0 GCADHO CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000410696802 1192833240 /nfs/dbraw/zinc/83/32/40/1192833240.db2.gz IIPAVISAWJXDOX-GOSISDBHSA-N 1 3 381.565 0.269 20 0 GCADHO CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000410696802 1192833244 /nfs/dbraw/zinc/83/32/44/1192833244.db2.gz IIPAVISAWJXDOX-GOSISDBHSA-N 1 3 381.565 0.269 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000419181034 1192833553 /nfs/dbraw/zinc/83/35/53/1192833553.db2.gz KLOLVNHWCZUCRF-MSOLQXFVSA-N 1 3 393.576 0.509 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893741581 1192848065 /nfs/dbraw/zinc/84/80/65/1192848065.db2.gz SKBDUMDRINLCST-WTGUMLROSA-N 1 3 394.560 0.995 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893741578 1192847974 /nfs/dbraw/zinc/84/79/74/1192847974.db2.gz SKBDUMDRINLCST-HAGHYFMRSA-N 1 3 394.560 0.995 20 0 GCADHO C[C@H]1CN(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H](C)CO1 ZINC000663876666 1192916581 /nfs/dbraw/zinc/91/65/81/1192916581.db2.gz KFXRYRIHJZYZHK-IRXDYDNUSA-N 1 3 381.565 0.953 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000663877554 1192917598 /nfs/dbraw/zinc/91/75/98/1192917598.db2.gz ZMIVPXDTYSLVKE-UHFFFAOYSA-N 1 3 396.580 0.206 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CC[NH2+]1 ZINC000419218201 1192917965 /nfs/dbraw/zinc/91/79/65/1192917965.db2.gz RUJBDPZYWVJMNK-IKGGRYGDSA-N 1 3 388.512 0.732 20 0 GCADHO CC(C)OCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001143378933 1184819594 /nfs/dbraw/zinc/81/95/94/1184819594.db2.gz HDUAHEKTQOYHKJ-YDRHNJASSA-N 1 3 389.537 0.707 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275638146 1184847510 /nfs/dbraw/zinc/84/75/10/1184847510.db2.gz OBPKYHHKBLXDSB-UHFFFAOYSA-N 1 3 375.517 0.483 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000579992864 1184893999 /nfs/dbraw/zinc/89/39/99/1184893999.db2.gz ZNMKHSRTSVKEHM-UHFFFAOYSA-N 1 3 395.451 0.730 20 0 GCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000580196338 1185114900 /nfs/dbraw/zinc/11/49/00/1185114900.db2.gz GJCQYIJWKBKPOO-BQFCYCMXSA-N 1 3 376.501 0.636 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000275807401 1185115604 /nfs/dbraw/zinc/11/56/04/1185115604.db2.gz DKAOWBLDVUOAMA-HNNXBMFYSA-N 1 3 390.532 0.722 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000275807401 1185115606 /nfs/dbraw/zinc/11/56/06/1185115606.db2.gz DKAOWBLDVUOAMA-HNNXBMFYSA-N 1 3 390.532 0.722 20 0 GCADHO Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001707885944 1185402190 /nfs/dbraw/zinc/40/21/90/1185402190.db2.gz CJVRRHLXVBQMAH-AZUAARDMSA-N 1 3 391.564 0.258 20 0 GCADHO Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001707885944 1185402193 /nfs/dbraw/zinc/40/21/93/1185402193.db2.gz CJVRRHLXVBQMAH-AZUAARDMSA-N 1 3 391.564 0.258 20 0 GCADHO C[C@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C(=O)NCC[NH+](C)C ZINC000580915505 1185417212 /nfs/dbraw/zinc/41/72/12/1185417212.db2.gz WVVLFFLEOCXXQC-KRWDZBQOSA-N 1 3 375.517 0.381 20 0 GCADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656353383 1185449623 /nfs/dbraw/zinc/44/96/23/1185449623.db2.gz ANRYNDQYNAJILU-QZTJIDSGSA-N 1 3 380.533 0.689 20 0 GCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581082391 1185488875 /nfs/dbraw/zinc/48/88/75/1185488875.db2.gz JHWFZKGPWTYVST-GDAAHCPNSA-N 1 3 385.512 0.850 20 0 GCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581082391 1185488878 /nfs/dbraw/zinc/48/88/78/1185488878.db2.gz JHWFZKGPWTYVST-GDAAHCPNSA-N 1 3 385.512 0.850 20 0 GCADHO Cn1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000067213800 1185564082 /nfs/dbraw/zinc/56/40/82/1185564082.db2.gz LAOYLECRNNKZEV-UHFFFAOYSA-N 1 3 399.539 0.772 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(C)COC2)[C@@H](O)OC(C)(C)C)C1 ZINC001143391327 1185601856 /nfs/dbraw/zinc/60/18/56/1185601856.db2.gz RMSYWVCVZYJKQT-BWJWTDLKSA-N 1 3 387.521 0.319 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000581367340 1185618686 /nfs/dbraw/zinc/61/86/86/1185618686.db2.gz UUCDOVOGCOGWLC-IBGZPJMESA-N 1 3 387.528 0.309 20 0 GCADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC1 ZINC000581440819 1185692024 /nfs/dbraw/zinc/69/20/24/1185692024.db2.gz SDQAKJPXTLWPPI-CEXWTWQISA-N 1 3 385.512 0.850 20 0 GCADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC1 ZINC000581440819 1185692028 /nfs/dbraw/zinc/69/20/28/1185692028.db2.gz SDQAKJPXTLWPPI-CEXWTWQISA-N 1 3 385.512 0.850 20 0 GCADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC1 ZINC000581440821 1185692054 /nfs/dbraw/zinc/69/20/54/1185692054.db2.gz SDQAKJPXTLWPPI-GUDVDZBRSA-N 1 3 385.512 0.850 20 0 GCADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC1 ZINC000581440821 1185692055 /nfs/dbraw/zinc/69/20/55/1185692055.db2.gz SDQAKJPXTLWPPI-GUDVDZBRSA-N 1 3 385.512 0.850 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000581534350 1185747191 /nfs/dbraw/zinc/74/71/91/1185747191.db2.gz FVAKEADYHKFLOG-NRFANRHFSA-N 1 3 388.512 0.596 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000581534351 1185748933 /nfs/dbraw/zinc/74/89/33/1185748933.db2.gz FVAKEADYHKFLOG-OAQYLSRUSA-N 1 3 388.512 0.596 20 0 GCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430620722 1185795787 /nfs/dbraw/zinc/79/57/87/1185795787.db2.gz BOXRIDWYWDEDBR-OAHLLOKOSA-N 1 3 383.496 0.840 20 0 GCADHO COc1ccc(C[C@@](C)(CO)NCC(=O)NC2CC[NH+](C)CC2)cc1OC ZINC000933447551 1185898001 /nfs/dbraw/zinc/89/80/01/1185898001.db2.gz FRBBTPCQEIYRNW-FQEVSTJZSA-N 1 3 379.501 0.797 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000581819258 1185899933 /nfs/dbraw/zinc/89/99/33/1185899933.db2.gz MFYYFNAFJVEJGA-IBGZPJMESA-N 1 3 387.528 0.309 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000419902941 1185978040 /nfs/dbraw/zinc/97/80/40/1185978040.db2.gz WFUGXVLUARPUOX-IAGOWNOFSA-N 1 3 376.501 0.972 20 0 GCADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC2)C1 ZINC000933847363 1186108632 /nfs/dbraw/zinc/10/86/32/1186108632.db2.gz JUSMNUSJTDAQNJ-QGZVFWFLSA-N 1 3 379.549 0.073 20 0 GCADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC2)C1 ZINC000933847363 1186108653 /nfs/dbraw/zinc/10/86/53/1186108653.db2.gz JUSMNUSJTDAQNJ-QGZVFWFLSA-N 1 3 379.549 0.073 20 0 GCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC2)C1 ZINC000933847358 1186109037 /nfs/dbraw/zinc/10/90/37/1186109037.db2.gz JUSMNUSJTDAQNJ-KRWDZBQOSA-N 1 3 379.549 0.073 20 0 GCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC2)C1 ZINC000933847358 1186109043 /nfs/dbraw/zinc/10/90/43/1186109043.db2.gz JUSMNUSJTDAQNJ-KRWDZBQOSA-N 1 3 379.549 0.073 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458239240 1186218209 /nfs/dbraw/zinc/21/82/09/1186218209.db2.gz ZBBPPBOJPJJHCD-SJORKVTESA-N 1 3 383.537 0.075 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458239240 1186218213 /nfs/dbraw/zinc/21/82/13/1186218213.db2.gz ZBBPPBOJPJJHCD-SJORKVTESA-N 1 3 383.537 0.075 20 0 GCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000563081862 1186219071 /nfs/dbraw/zinc/21/90/71/1186219071.db2.gz SMHSKTXVZDOLBW-SFHVURJKSA-N 1 3 392.475 0.653 20 0 GCADHO Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001707907334 1186244954 /nfs/dbraw/zinc/24/49/54/1186244954.db2.gz VZZYSYNUGUMABH-INIZCTEOSA-N 1 3 389.548 0.814 20 0 GCADHO Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001707907334 1186244960 /nfs/dbraw/zinc/24/49/60/1186244960.db2.gz VZZYSYNUGUMABH-INIZCTEOSA-N 1 3 389.548 0.814 20 0 GCADHO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000582360841 1186503521 /nfs/dbraw/zinc/50/35/21/1186503521.db2.gz UGINYCKWRGDATH-IRXDYDNUSA-N 1 3 394.541 0.314 20 0 GCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000564485919 1186524169 /nfs/dbraw/zinc/52/41/69/1186524169.db2.gz FHRNIWUDPVGFHU-OALUTQOASA-N 1 3 396.576 0.917 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000582619964 1186588288 /nfs/dbraw/zinc/58/82/88/1186588288.db2.gz MDGOPSVECKZIIK-JZXOWHBKSA-N 1 3 379.549 0.116 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000582619964 1186588292 /nfs/dbraw/zinc/58/82/92/1186588292.db2.gz MDGOPSVECKZIIK-JZXOWHBKSA-N 1 3 379.549 0.116 20 0 GCADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N1CCCC[C@@H]1C ZINC000582701989 1186616813 /nfs/dbraw/zinc/61/68/13/1186616813.db2.gz WTXWPGQABFZAHM-HOTGVXAUSA-N 1 3 390.532 1.467 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCC(OC)CC2)CC1=O ZINC000079670333 1186680439 /nfs/dbraw/zinc/68/04/39/1186680439.db2.gz HISJFFVSHCUVGI-IAGOWNOFSA-N 1 3 380.533 0.546 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCC(OC)CC2)CC1=O ZINC000079670333 1186680441 /nfs/dbraw/zinc/68/04/41/1186680441.db2.gz HISJFFVSHCUVGI-IAGOWNOFSA-N 1 3 380.533 0.546 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000121562939 1186738719 /nfs/dbraw/zinc/73/87/19/1186738719.db2.gz DLFFQZKFZXWOOZ-NRFANRHFSA-N 1 3 391.560 0.936 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cn(C)c(=O)cc1C ZINC000124650530 1186799959 /nfs/dbraw/zinc/79/99/59/1186799959.db2.gz FCSWLFYGQMOUHB-INIZCTEOSA-N 1 3 391.516 0.507 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cn(C)c(=O)cc1C ZINC000124650530 1186799965 /nfs/dbraw/zinc/79/99/65/1186799965.db2.gz FCSWLFYGQMOUHB-INIZCTEOSA-N 1 3 391.516 0.507 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000583391581 1186842829 /nfs/dbraw/zinc/84/28/29/1186842829.db2.gz ZGSKEPZMRZFSPK-INIZCTEOSA-N 1 3 386.562 0.333 20 0 GCADHO CCN1CCN(CC(C)(C)NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000458605482 1186895819 /nfs/dbraw/zinc/89/58/19/1186895819.db2.gz WVDLTZCDHHMPIR-UHFFFAOYSA-N 1 3 382.597 0.728 20 0 GCADHO COC(=O)Cn1cc(CCN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000158103905 1186959770 /nfs/dbraw/zinc/95/97/70/1186959770.db2.gz MDOIEEHDPNJKMK-IYBDPMFKSA-N 1 3 379.505 0.815 20 0 GCADHO COC(=O)Cn1cc(CCN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000158103905 1186959775 /nfs/dbraw/zinc/95/97/75/1186959775.db2.gz MDOIEEHDPNJKMK-IYBDPMFKSA-N 1 3 379.505 0.815 20 0 GCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)CCN2C1=O ZINC000584005910 1186978861 /nfs/dbraw/zinc/97/88/61/1186978861.db2.gz OSISKPVTTLEBLE-BFYDXBDKSA-N 1 3 391.541 0.914 20 0 GCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)CCN2C1=O ZINC000584005910 1186978863 /nfs/dbraw/zinc/97/88/63/1186978863.db2.gz OSISKPVTTLEBLE-BFYDXBDKSA-N 1 3 391.541 0.914 20 0 GCADHO C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000458768229 1186982590 /nfs/dbraw/zinc/98/25/90/1186982590.db2.gz DXBVIAOWOWSCHH-QGZVFWFLSA-N 1 3 379.505 0.668 20 0 GCADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000564749611 1187040938 /nfs/dbraw/zinc/04/09/38/1187040938.db2.gz JEXFCLHGVHLTJA-IBGZPJMESA-N 1 3 395.592 0.709 20 0 GCADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000564749611 1187040942 /nfs/dbraw/zinc/04/09/42/1187040942.db2.gz JEXFCLHGVHLTJA-IBGZPJMESA-N 1 3 395.592 0.709 20 0 GCADHO CC(C)[C@H](C(=O)NCC1(O)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1)N(C)C ZINC000643353580 1187050262 /nfs/dbraw/zinc/05/02/62/1187050262.db2.gz UMTOISMOFRMOSF-SJORKVTESA-N 1 3 384.565 0.629 20 0 GCADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N1CCC[C@H](C)C1 ZINC000375748616 1187059203 /nfs/dbraw/zinc/05/92/03/1187059203.db2.gz IPLWKQYLPCLQHN-HOTGVXAUSA-N 1 3 390.532 1.325 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N(C)CC[N@H+](C)C3CC3)C2)CC1 ZINC000584456007 1187070774 /nfs/dbraw/zinc/07/07/74/1187070774.db2.gz XXXAEIVOQIEGNX-SFHVURJKSA-N 1 3 379.549 0.166 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C3CC3)C2)CC1 ZINC000584456007 1187070778 /nfs/dbraw/zinc/07/07/78/1187070778.db2.gz XXXAEIVOQIEGNX-SFHVURJKSA-N 1 3 379.549 0.166 20 0 GCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1COc2ccccc21 ZINC000685405408 1187123893 /nfs/dbraw/zinc/12/38/93/1187123893.db2.gz WLAYCTBJZAOXDB-RDJZCZTQSA-N 1 3 376.501 0.619 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000612046030 1187245204 /nfs/dbraw/zinc/24/52/04/1187245204.db2.gz XWSGDMCAKPYCHY-FGTMMUONSA-N 1 3 378.517 0.489 20 0 GCADHO Cn1cc([C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)NC(=O)[C@@H]2CCCCN2C)cn1 ZINC000635725232 1187318553 /nfs/dbraw/zinc/31/85/53/1187318553.db2.gz KYWDQIDQIMACDV-SQNIBIBYSA-N 1 3 390.532 0.662 20 0 GCADHO Cn1cc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)NC(=O)[C@@H]2CCCCN2C)cn1 ZINC000635725232 1187318556 /nfs/dbraw/zinc/31/85/56/1187318556.db2.gz KYWDQIDQIMACDV-SQNIBIBYSA-N 1 3 390.532 0.662 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000658535752 1187337097 /nfs/dbraw/zinc/33/70/97/1187337097.db2.gz JMYUPIJPKLLPNB-SFHVURJKSA-N 1 3 382.549 0.746 20 0 GCADHO CN(CCC[NH+](C)C)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612224868 1187414135 /nfs/dbraw/zinc/41/41/35/1187414135.db2.gz WAUCMFODBYCWKO-UHFFFAOYSA-N 1 3 375.517 0.820 20 0 GCADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000612226617 1187415370 /nfs/dbraw/zinc/41/53/70/1187415370.db2.gz PKZXMHGPDWINAI-IBGZPJMESA-N 1 3 387.528 0.962 20 0 GCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000612546408 1187522210 /nfs/dbraw/zinc/52/22/10/1187522210.db2.gz SFLBTYNBSSNCFD-SFHVURJKSA-N 1 3 393.576 0.604 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](CO)CN2CCCCC2)CC1=O ZINC000413822557 1187529364 /nfs/dbraw/zinc/52/93/64/1187529364.db2.gz UHTFSQUDFQIMGL-KZNAEPCWSA-N 1 3 380.533 0.282 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](CO)CN2CCCCC2)CC1=O ZINC000413822557 1187529368 /nfs/dbraw/zinc/52/93/68/1187529368.db2.gz UHTFSQUDFQIMGL-KZNAEPCWSA-N 1 3 380.533 0.282 20 0 GCADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000612601296 1187539325 /nfs/dbraw/zinc/53/93/25/1187539325.db2.gz PDFKPRLKZKOBSH-LJQANCHMSA-N 1 3 394.560 0.935 20 0 GCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000612601296 1187539329 /nfs/dbraw/zinc/53/93/29/1187539329.db2.gz PDFKPRLKZKOBSH-LJQANCHMSA-N 1 3 394.560 0.935 20 0 GCADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000612601685 1187540205 /nfs/dbraw/zinc/54/02/05/1187540205.db2.gz SRQXKFNFVMWIFP-IBGZPJMESA-N 1 3 394.560 0.936 20 0 GCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612880792 1187611162 /nfs/dbraw/zinc/61/11/62/1187611162.db2.gz JYQBCUQAULKCFT-HZPDHXFCSA-N 1 3 387.532 0.945 20 0 GCADHO COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1-n1ccc(C[NH3+])cc1=N ZINC001167691669 1187613411 /nfs/dbraw/zinc/61/34/11/1187613411.db2.gz QAAFYBDPWZCHGW-OAHLLOKOSA-N 1 3 387.484 0.916 20 0 GCADHO COCC[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000376257732 1187728462 /nfs/dbraw/zinc/72/84/62/1187728462.db2.gz ZHTAISVCRQHPGK-AYHJJNSGSA-N 1 3 395.548 0.480 20 0 GCADHO C[C@]1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000570868911 1187730195 /nfs/dbraw/zinc/73/01/95/1187730195.db2.gz ZHMHIPOYLGZBAG-LVCYWYKZSA-N 1 3 385.512 0.995 20 0 GCADHO C[C@]1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCC[N@H+]1Cc1ccccc1 ZINC000570868911 1187730201 /nfs/dbraw/zinc/73/02/01/1187730201.db2.gz ZHMHIPOYLGZBAG-LVCYWYKZSA-N 1 3 385.512 0.995 20 0 GCADHO COCC[NH+](CCOC)C1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000376343973 1187779204 /nfs/dbraw/zinc/77/92/04/1187779204.db2.gz MOEXQEFSAJWDPP-RBUKOAKNSA-N 1 3 398.548 0.618 20 0 GCADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)CC2)C[C@H](C)O1 ZINC000658993224 1187833592 /nfs/dbraw/zinc/83/35/92/1187833592.db2.gz IXRAWMYAAIFPMH-SCTDSRPQSA-N 1 3 392.544 0.641 20 0 GCADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)CC2)C[C@H](C)O1 ZINC000658993224 1187833595 /nfs/dbraw/zinc/83/35/95/1187833595.db2.gz IXRAWMYAAIFPMH-SCTDSRPQSA-N 1 3 392.544 0.641 20 0 GCADHO C[C@H]([C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)N1CCOCC1 ZINC000105211060 1187876378 /nfs/dbraw/zinc/87/63/78/1187876378.db2.gz PLPPAICMFQBNSF-DLBZAZTESA-N 1 3 381.565 0.953 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1=O ZINC000105321059 1187878873 /nfs/dbraw/zinc/87/88/73/1187878873.db2.gz LOBWZXRCBBPEDI-GUDVDZBRSA-N 1 3 393.576 0.319 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1=O ZINC000105321059 1187878875 /nfs/dbraw/zinc/87/88/75/1187878875.db2.gz LOBWZXRCBBPEDI-GUDVDZBRSA-N 1 3 393.576 0.319 20 0 GCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000659698398 1187999617 /nfs/dbraw/zinc/99/96/17/1187999617.db2.gz NAPKCJRQDUCQAC-AEFFLSMTSA-N 1 3 375.517 0.206 20 0 GCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000659697480 1188001456 /nfs/dbraw/zinc/00/14/56/1188001456.db2.gz HYIRICDEAUDUIT-SFHVURJKSA-N 1 3 389.544 0.677 20 0 GCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659699498 1188003154 /nfs/dbraw/zinc/00/31/54/1188003154.db2.gz UGCHSSIPFHXWNE-ZIAGYGMSSA-N 1 3 392.504 0.131 20 0 GCADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659698794 1188003955 /nfs/dbraw/zinc/00/39/55/1188003955.db2.gz MKMJMVBFVFASLR-ZDUSSCGKSA-N 1 3 378.477 0.028 20 0 GCADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659698794 1188003960 /nfs/dbraw/zinc/00/39/60/1188003960.db2.gz MKMJMVBFVFASLR-ZDUSSCGKSA-N 1 3 378.477 0.028 20 0 GCADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659730729 1188016495 /nfs/dbraw/zinc/01/64/95/1188016495.db2.gz UQQFBHWJHYAVMN-SFHVURJKSA-N 1 3 387.528 0.997 20 0 GCADHO [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659739324 1188018192 /nfs/dbraw/zinc/01/81/92/1188018192.db2.gz QVDFYNJPEDHMSM-LJQANCHMSA-N 1 3 388.512 0.734 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)cc2)CC1 ZINC000415517403 1188097068 /nfs/dbraw/zinc/09/70/68/1188097068.db2.gz HKKZNUDLVBKRBJ-FUHWJXTLSA-N 1 3 387.528 0.958 20 0 GCADHO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893011704 1188099715 /nfs/dbraw/zinc/09/97/15/1188099715.db2.gz MDNYKOLEISAPDG-FHWLQOOXSA-N 1 3 380.533 0.870 20 0 GCADHO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C[C@H]1C[NH3+] ZINC000415845952 1189379398 /nfs/dbraw/zinc/37/93/98/1189379398.db2.gz KIUZIWXCIGOONP-HUUCEWRRSA-N 1 3 389.500 0.936 20 0 GCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000472915282 1189384347 /nfs/dbraw/zinc/38/43/47/1189384347.db2.gz RKLUVWSTIMBZMB-ZWKOTPCHSA-N 1 3 381.565 0.813 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)c2)CC1 ZINC000415864304 1189386054 /nfs/dbraw/zinc/38/60/54/1189386054.db2.gz SIPLMEXCBPGPQH-GOSISDBHSA-N 1 3 389.500 0.343 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415873413 1189391744 /nfs/dbraw/zinc/39/17/44/1189391744.db2.gz UULPVWACVOMJOZ-DLBZAZTESA-N 1 3 385.512 0.835 20 0 GCADHO [NH3+]CCOc1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000415932628 1189406282 /nfs/dbraw/zinc/40/62/82/1189406282.db2.gz DLMIILFUAKQHGL-UHFFFAOYSA-N 1 3 375.473 0.796 20 0 GCADHO COCCN1CC[C@H](NC(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000416031357 1189415749 /nfs/dbraw/zinc/41/57/49/1189415749.db2.gz SRGXASOVSHZZSJ-KRWDZBQOSA-N 1 3 391.516 0.813 20 0 GCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1-n1ccc(CC[NH3+])n1 ZINC001167727748 1189419598 /nfs/dbraw/zinc/41/95/98/1189419598.db2.gz BWFNJAJFSLNPIY-AWEZNQCLSA-N 1 3 375.473 0.874 20 0 GCADHO CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000041641144 1189455546 /nfs/dbraw/zinc/45/55/46/1189455546.db2.gz BXPXRUNEKHMHDD-MRXNPFEDSA-N 1 3 375.517 0.829 20 0 GCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CN4CCN3CCC4)cc2)C1 ZINC000378320661 1189475034 /nfs/dbraw/zinc/47/50/34/1189475034.db2.gz VOEDIVLGSHRSPN-MJGOQNOKSA-N 1 3 385.512 0.712 20 0 GCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CN4CCN3CCC4)cc2)C1 ZINC000378320661 1189475038 /nfs/dbraw/zinc/47/50/38/1189475038.db2.gz VOEDIVLGSHRSPN-MJGOQNOKSA-N 1 3 385.512 0.712 20 0 GCADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000893230120 1189500733 /nfs/dbraw/zinc/50/07/33/1189500733.db2.gz AEKAPLYCAOUDAA-JQHSSLGASA-N 1 3 381.542 0.688 20 0 GCADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000416854258 1189589037 /nfs/dbraw/zinc/58/90/37/1189589037.db2.gz UZQIKQJQBWMDHN-ZWKOTPCHSA-N 1 3 375.517 0.656 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000416981622 1189605734 /nfs/dbraw/zinc/60/57/34/1189605734.db2.gz CTGQTESTCUZRLZ-FQEVSTJZSA-N 1 3 388.560 0.527 20 0 GCADHO CN1CCN(CCCNC(=O)NC[C@@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000417014816 1189607986 /nfs/dbraw/zinc/60/79/86/1189607986.db2.gz FYHUKMSCIUXZKW-OALUTQOASA-N 1 3 375.517 0.653 20 0 GCADHO CN1CCN(CCCNC(=O)NCCN2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000417026186 1189609818 /nfs/dbraw/zinc/60/98/18/1189609818.db2.gz SMXDSOQXERCLSB-FQEVSTJZSA-N 1 3 388.560 0.570 20 0 GCADHO COCCN1CCC(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417301593 1189641542 /nfs/dbraw/zinc/64/15/42/1189641542.db2.gz VLYGVEDJCNABQO-AWEZNQCLSA-N 1 3 381.443 0.233 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417435344 1189662002 /nfs/dbraw/zinc/66/20/02/1189662002.db2.gz YGDSPIUZKNUFKU-BZSNNMDCSA-N 1 3 379.549 0.960 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417429269 1189663209 /nfs/dbraw/zinc/66/32/09/1189663209.db2.gz MSRUIIVKBYJUPB-ZWKOTPCHSA-N 1 3 379.549 0.960 20 0 GCADHO C[C@@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CN1CCN(C)CC1 ZINC000417758046 1189702655 /nfs/dbraw/zinc/70/26/55/1189702655.db2.gz UOMUNHWRECFZSL-GJZGRUSLSA-N 1 3 394.486 0.005 20 0 GCADHO COC(=O)[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000593331546 1190004440 /nfs/dbraw/zinc/00/44/40/1190004440.db2.gz FOSSJLIFNCALKJ-YOEHRIQHSA-N 1 3 382.505 0.517 20 0 GCADHO CN1CCN(CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@H](c2ccccc2)C1 ZINC000246500048 1193721876 /nfs/dbraw/zinc/72/18/76/1193721876.db2.gz HMNGMIABUJKYCD-PZJWPPBQSA-N 1 3 391.560 0.977 20 0 GCADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000419284212 1193784135 /nfs/dbraw/zinc/78/41/35/1193784135.db2.gz KRVROLJBAZXSHE-IBGZPJMESA-N 1 3 388.512 0.783 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000419329439 1193822320 /nfs/dbraw/zinc/82/23/20/1193822320.db2.gz FJCDNOIIWFIZTO-IBGZPJMESA-N 1 3 387.528 0.309 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])cc2)CC1 ZINC000419333116 1193826095 /nfs/dbraw/zinc/82/60/95/1193826095.db2.gz IIYXJGYWTQLADN-MRXNPFEDSA-N 1 3 375.517 0.246 20 0 GCADHO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CCCNCC2)cc1 ZINC000419334537 1193826756 /nfs/dbraw/zinc/82/67/56/1193826756.db2.gz JAAPDUDFWXIHBT-UHFFFAOYSA-N 1 3 376.501 0.845 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000419342341 1193834428 /nfs/dbraw/zinc/83/44/28/1193834428.db2.gz PCSWTHIAPGZCGC-LJQANCHMSA-N 1 3 387.528 0.390 20 0 GCADHO Cc1nccn1CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000052364526 1193855760 /nfs/dbraw/zinc/85/57/60/1193855760.db2.gz NGCVBJPLNKJNDE-UHFFFAOYSA-N 1 3 384.484 0.694 20 0 GCADHO CN1CCN(C(=O)CNCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1 ZINC000894207241 1193906699 /nfs/dbraw/zinc/90/66/99/1193906699.db2.gz VBWAJAKRJRUDTJ-UHFFFAOYSA-N 1 3 384.427 0.933 20 0 GCADHO CN1CC[NH+](CCCCNC(=O)N2CCC[C@H](N3CCOCC3)CC2)CC1 ZINC000664176203 1193950996 /nfs/dbraw/zinc/95/09/96/1193950996.db2.gz SVSJBRAUYSVCOY-IBGZPJMESA-N 1 3 381.565 0.910 20 0 GCADHO CC1CCN(CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000419401301 1194019940 /nfs/dbraw/zinc/01/99/40/1194019940.db2.gz APMUOTWBAXNLKY-ROUUACIJSA-N 1 3 380.533 0.579 20 0 GCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000419402275 1194020063 /nfs/dbraw/zinc/02/00/63/1194020063.db2.gz CBKPLFXETVIFEK-KBAYOESNSA-N 1 3 380.533 0.579 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419419314 1194022760 /nfs/dbraw/zinc/02/27/60/1194022760.db2.gz JEDDCUAGGPIJJD-CRAIPNDOSA-N 1 3 388.512 0.780 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419419314 1194022765 /nfs/dbraw/zinc/02/27/65/1194022765.db2.gz JEDDCUAGGPIJJD-CRAIPNDOSA-N 1 3 388.512 0.780 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419420922 1194024269 /nfs/dbraw/zinc/02/42/69/1194024269.db2.gz NYRBVUNNVJNKIJ-OALUTQOASA-N 1 3 387.528 0.350 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419424769 1194025385 /nfs/dbraw/zinc/02/53/85/1194025385.db2.gz URIJZWRCRNDJAS-RTBURBONSA-N 1 3 387.528 0.431 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NCCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000419411403 1194029726 /nfs/dbraw/zinc/02/97/26/1194029726.db2.gz BNHMPGPNGLRHNN-GOSISDBHSA-N 1 3 375.517 0.337 20 0 GCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000419414861 1194031287 /nfs/dbraw/zinc/03/12/87/1194031287.db2.gz HHFMNHHOLIIRJH-RTBURBONSA-N 1 3 387.528 0.302 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000419414269 1194031678 /nfs/dbraw/zinc/03/16/78/1194031678.db2.gz GMSREXZLDYLZNU-LJQANCHMSA-N 1 3 387.528 0.350 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H](c2ccccc2)C1 ZINC000419417419 1194032327 /nfs/dbraw/zinc/03/23/27/1194032327.db2.gz KCNNJUGSRCIEMI-AABGKKOBSA-N 1 3 399.539 0.302 20 0 GCADHO C[C@@H]1C[C@H](CCNC(=O)C(=O)NC[C@@H]2CNCCO2)C[N@@H+]1Cc1ccccc1 ZINC000419468072 1194043219 /nfs/dbraw/zinc/04/32/19/1194043219.db2.gz AQFYSPXTAKRAER-NEWSRXKRSA-N 1 3 388.512 0.508 20 0 GCADHO C[C@@H]1C[C@H](CCNC(=O)C(=O)NC[C@@H]2CNCCO2)C[N@H+]1Cc1ccccc1 ZINC000419468072 1194043222 /nfs/dbraw/zinc/04/32/22/1194043222.db2.gz AQFYSPXTAKRAER-NEWSRXKRSA-N 1 3 388.512 0.508 20 0 GCADHO COC[C@@H](NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419543964 1194056174 /nfs/dbraw/zinc/05/61/74/1194056174.db2.gz URUFKJGIGVHFMU-GOSISDBHSA-N 1 3 388.512 0.637 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419665490 1194078125 /nfs/dbraw/zinc/07/81/25/1194078125.db2.gz ORTWUAAXLHOOJX-RHSMWYFYSA-N 1 3 389.500 0.643 20 0 GCADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000419689064 1194084749 /nfs/dbraw/zinc/08/47/49/1194084749.db2.gz IEGRNVOSQJFQDE-KRWDZBQOSA-N 1 3 375.517 0.164 20 0 GCADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000419742778 1194094766 /nfs/dbraw/zinc/09/47/66/1194094766.db2.gz FFXYHIKRJBCZTB-UHFFFAOYSA-N 1 3 390.528 0.893 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000419748162 1194095710 /nfs/dbraw/zinc/09/57/10/1194095710.db2.gz FMJZHHSKGPBXEO-UAGQMJEPSA-N 1 3 380.533 0.578 20 0 GCADHO CS[C@H](C)CNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419773694 1194102841 /nfs/dbraw/zinc/10/28/41/1194102841.db2.gz ZZCXAYAWEMGVOP-OAHLLOKOSA-N 1 3 378.542 0.964 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000419846534 1194113578 /nfs/dbraw/zinc/11/35/78/1194113578.db2.gz HHLQOXYWPIEOCY-UHFFFAOYSA-N 1 3 387.528 0.131 20 0 GCADHO C[C@H](CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)CN1CCN(C)CC1 ZINC000419838245 1194117565 /nfs/dbraw/zinc/11/75/65/1194117565.db2.gz XNUIYCKWJPUKQN-GOSISDBHSA-N 1 3 389.544 0.364 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419854970 1194121431 /nfs/dbraw/zinc/12/14/31/1194121431.db2.gz PYZXOKOHYHVJIS-UHFFFAOYSA-N 1 3 393.507 0.127 20 0 GCADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863707 1194125624 /nfs/dbraw/zinc/12/56/24/1194125624.db2.gz IBGFZKPUSUGMKU-HKUYNNGSSA-N 1 3 387.528 0.035 20 0 GCADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000419874174 1194128881 /nfs/dbraw/zinc/12/88/81/1194128881.db2.gz NHBVIPZOJSFBBN-NEWSRXKRSA-N 1 3 386.496 0.564 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1)Cc1ccccc1 ZINC000419874426 1194129603 /nfs/dbraw/zinc/12/96/03/1194129603.db2.gz WAJCQORWYZASID-IBGZPJMESA-N 1 3 387.528 0.116 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419901767 1194137322 /nfs/dbraw/zinc/13/73/22/1194137322.db2.gz UPVAHPMYZAVJQC-JZXOWHBKSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419901771 1194137447 /nfs/dbraw/zinc/13/74/47/1194137447.db2.gz UPVAHPMYZAVJQC-SOLBZPMBSA-N 1 3 380.533 0.593 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419915442 1194138015 /nfs/dbraw/zinc/13/80/15/1194138015.db2.gz PMEVVVJTRASYRQ-CQSZACIVSA-N 1 3 382.455 0.971 20 0 GCADHO COc1cnccc1N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419923874 1194139787 /nfs/dbraw/zinc/13/97/87/1194139787.db2.gz BOUGKIKLWJZEOD-OAHLLOKOSA-N 1 3 375.473 0.245 20 0 GCADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419907477 1194141505 /nfs/dbraw/zinc/14/15/05/1194141505.db2.gz GBJUMGXCKAVWED-IRXDYDNUSA-N 1 3 382.549 0.840 20 0 GCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419911889 1194142897 /nfs/dbraw/zinc/14/28/97/1194142897.db2.gz KJFVBFMMIKJEQG-QZTJIDSGSA-N 1 3 376.501 0.762 20 0 GCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419950405 1194143197 /nfs/dbraw/zinc/14/31/97/1194143197.db2.gz MGSWNXZRDAAVDE-YESZJQIVSA-N 1 3 382.549 0.696 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419938355 1194145230 /nfs/dbraw/zinc/14/52/30/1194145230.db2.gz PJMNGZLZQFDBTF-ZHALLVOQSA-N 1 3 394.560 0.983 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419940750 1194146459 /nfs/dbraw/zinc/14/64/59/1194146459.db2.gz VDWDGOZFAXZHEE-JFIYKMOQSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419977000 1194151273 /nfs/dbraw/zinc/15/12/73/1194151273.db2.gz MGFVQLQPYBSUJM-KURKYZTESA-N 1 3 394.560 0.840 20 0 GCADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)o1 ZINC000420023595 1194158166 /nfs/dbraw/zinc/15/81/66/1194158166.db2.gz AUHIKPPSAQHILP-GOEBONIOSA-N 1 3 380.489 0.707 20 0 GCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420038945 1194166396 /nfs/dbraw/zinc/16/63/96/1194166396.db2.gz NKMVJZDCNYDGJV-BZUAXINKSA-N 1 3 384.521 0.175 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420041652 1194166829 /nfs/dbraw/zinc/16/68/29/1194166829.db2.gz PYNRTECQAODNMP-YOEHRIQHSA-N 1 3 394.491 0.945 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420041383 1194166894 /nfs/dbraw/zinc/16/68/94/1194166894.db2.gz PYNRTECQAODNMP-PBHICJAKSA-N 1 3 394.491 0.945 20 0 GCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501586665 1194197154 /nfs/dbraw/zinc/19/71/54/1194197154.db2.gz GBCJVQPTIMROAV-KRWDZBQOSA-N 1 3 382.549 0.650 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)C[C@H](C)O1 ZINC000420173626 1194201372 /nfs/dbraw/zinc/20/13/72/1194201372.db2.gz VQGWWHIYKWVPTJ-MJQMVNBJSA-N 1 3 394.560 0.981 20 0 GCADHO CC[C@@H]1COCCN1C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420196840 1194201704 /nfs/dbraw/zinc/20/17/04/1194201704.db2.gz AALAOLLECBZJOL-GOSISDBHSA-N 1 3 388.512 0.734 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC000420199198 1194202304 /nfs/dbraw/zinc/20/23/04/1194202304.db2.gz DNAWZFUMCNWMCX-IAGOWNOFSA-N 1 3 388.512 0.732 20 0 GCADHO C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420205082 1194204825 /nfs/dbraw/zinc/20/48/25/1194204825.db2.gz NHDVWRYCPGVMHF-FUHWJXTLSA-N 1 3 388.512 0.325 20 0 GCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501592809 1194206713 /nfs/dbraw/zinc/20/67/13/1194206713.db2.gz XBTJAWGLNLWVDD-QRQLOZEOSA-N 1 3 392.544 0.689 20 0 GCADHO CN(CCn1cccn1)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420213973 1194214195 /nfs/dbraw/zinc/21/41/95/1194214195.db2.gz ZOHDLDILGAQQPY-UHFFFAOYSA-N 1 3 398.511 0.451 20 0 GCADHO NC1(CNC(=O)C(=O)N2C[C@H](F)C[C@@H]2CO)CC[NH+](Cc2ccccc2)CC1 ZINC000420213883 1194214226 /nfs/dbraw/zinc/21/42/26/1194214226.db2.gz YYQNBMKPBXQBAY-IAGOWNOFSA-N 1 3 392.475 0.027 20 0 GCADHO NC1(CNC(=O)C(=O)N2C[C@@H](F)C[C@H]2CO)CC[NH+](Cc2ccccc2)CC1 ZINC000420213884 1194214239 /nfs/dbraw/zinc/21/42/39/1194214239.db2.gz YYQNBMKPBXQBAY-IRXDYDNUSA-N 1 3 392.475 0.027 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCC[C@@H](C)C1 ZINC000501648605 1194219270 /nfs/dbraw/zinc/21/92/70/1194219270.db2.gz YKDORIXNMGDQGA-FGTMMUONSA-N 1 3 394.560 0.840 20 0 GCADHO CC[NH+]1CCC(N2CCCN(CCNS(=O)(=O)CCCOC)CC2)CC1 ZINC000420983778 1194278500 /nfs/dbraw/zinc/27/85/00/1194278500.db2.gz RPHMFPINISORCW-UHFFFAOYSA-N 1 3 390.594 0.434 20 0 GCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000421406440 1194336896 /nfs/dbraw/zinc/33/68/96/1194336896.db2.gz UCLWWXCCEQBCOX-QGZVFWFLSA-N 1 3 376.501 0.796 20 0 GCADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)CC1 ZINC000422113965 1194393307 /nfs/dbraw/zinc/39/33/07/1194393307.db2.gz IHRMZBKUUMVEDE-LJQANCHMSA-N 1 3 393.576 0.556 20 0 GCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422136092 1194397665 /nfs/dbraw/zinc/39/76/65/1194397665.db2.gz KQHWUNXSEJYWTF-QRVBRYPASA-N 1 3 393.576 0.556 20 0 GCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000422290384 1194604390 /nfs/dbraw/zinc/60/43/90/1194604390.db2.gz AOQFMUGDJWXCJC-KRWDZBQOSA-N 1 3 380.533 0.689 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)CC1 ZINC000422396445 1194635911 /nfs/dbraw/zinc/63/59/11/1194635911.db2.gz LDMAGVQFOFNJFQ-GOSISDBHSA-N 1 3 382.549 0.933 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423093388 1194726763 /nfs/dbraw/zinc/72/67/63/1194726763.db2.gz HIBBCPZRIYJBSV-NVXWUHKLSA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423093387 1194726947 /nfs/dbraw/zinc/72/69/47/1194726947.db2.gz HIBBCPZRIYJBSV-DOTOQJQBSA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423185437 1194733902 /nfs/dbraw/zinc/73/39/02/1194733902.db2.gz JKNOMLJJCPQMCY-IBGZPJMESA-N 1 3 393.576 0.463 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423163775 1194734366 /nfs/dbraw/zinc/73/43/66/1194734366.db2.gz NICBUUWEXXDIQS-VAMGGRTRSA-N 1 3 399.539 0.962 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423164698 1194734444 /nfs/dbraw/zinc/73/44/44/1194734444.db2.gz OXILWHVEPNXRDD-FUHWJXTLSA-N 1 3 376.476 0.926 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000423161292 1194734703 /nfs/dbraw/zinc/73/47/03/1194734703.db2.gz IQJZZBXAMVCVOJ-RBUKOAKNSA-N 1 3 387.528 0.962 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423163774 1194734716 /nfs/dbraw/zinc/73/47/16/1194734716.db2.gz NICBUUWEXXDIQS-SLFFLAALSA-N 1 3 399.539 0.962 20 0 GCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000423161291 1194734763 /nfs/dbraw/zinc/73/47/63/1194734763.db2.gz IQJZZBXAMVCVOJ-OALUTQOASA-N 1 3 387.528 0.962 20 0 GCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423167274 1194734952 /nfs/dbraw/zinc/73/49/52/1194734952.db2.gz RWPNIIOGVIZHTJ-OTWHNJEPSA-N 1 3 385.512 0.572 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423170710 1194735742 /nfs/dbraw/zinc/73/57/42/1194735742.db2.gz YPJRDLCKHQCESK-KRWDZBQOSA-N 1 3 380.464 0.292 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423209759 1194737038 /nfs/dbraw/zinc/73/70/38/1194737038.db2.gz VMXGCJWBOWPRQR-KRWDZBQOSA-N 1 3 380.464 0.292 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423207755 1194737068 /nfs/dbraw/zinc/73/70/68/1194737068.db2.gz SFTLPSLKNABOKS-HNNXBMFYSA-N 1 3 398.454 0.431 20 0 GCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(OC)c2)C1 ZINC000423468520 1194758453 /nfs/dbraw/zinc/75/84/53/1194758453.db2.gz BIMJDGGGILVJFS-KRWDZBQOSA-N 1 3 376.501 0.796 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000423475191 1194758906 /nfs/dbraw/zinc/75/89/06/1194758906.db2.gz IOGNQFSISHYYEE-QAPCUYQASA-N 1 3 376.501 0.781 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000423475190 1194759044 /nfs/dbraw/zinc/75/90/44/1194759044.db2.gz IOGNQFSISHYYEE-MAUKXSAKSA-N 1 3 376.501 0.781 20 0 GCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000423503139 1194759944 /nfs/dbraw/zinc/75/99/44/1194759944.db2.gz MPZZXVZCBDBFCP-JFIYKMOQSA-N 1 3 380.533 0.545 20 0 GCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423509541 1194760240 /nfs/dbraw/zinc/76/02/40/1194760240.db2.gz RNPYJXAASDOZND-IRXDYDNUSA-N 1 3 382.549 0.792 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000423484068 1194760368 /nfs/dbraw/zinc/76/03/68/1194760368.db2.gz TTYLJYREPYIOCH-PKOBYXMFSA-N 1 3 388.512 0.796 20 0 GCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000423495091 1194761143 /nfs/dbraw/zinc/76/11/43/1194761143.db2.gz BPNWPBHLZIMUFB-ZHALLVOQSA-N 1 3 394.560 0.935 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423494212 1194761171 /nfs/dbraw/zinc/76/11/71/1194761171.db2.gz ACEVVCKISUUGHN-CBGDNZLLSA-N 1 3 394.560 0.922 20 0 GCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423595484 1194774965 /nfs/dbraw/zinc/77/49/65/1194774965.db2.gz PXBCCYUVFPUSJS-SCTDSRPQSA-N 1 3 394.560 0.935 20 0 GCADHO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000423724506 1194789268 /nfs/dbraw/zinc/78/92/68/1194789268.db2.gz RLXNNXSRESUXCH-LJQANCHMSA-N 1 3 394.560 0.938 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000514693992 1194895387 /nfs/dbraw/zinc/89/53/87/1194895387.db2.gz UKWTYYLCXXIZMC-PKOBYXMFSA-N 1 3 391.560 0.380 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000514693992 1194895390 /nfs/dbraw/zinc/89/53/90/1194895390.db2.gz UKWTYYLCXXIZMC-PKOBYXMFSA-N 1 3 391.560 0.380 20 0 GCADHO C[NH+](C)CCCOc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000515073859 1194945846 /nfs/dbraw/zinc/94/58/46/1194945846.db2.gz LPPQSZYMXSYWLV-AEFFLSMTSA-N 1 3 389.500 0.471 20 0 GCADHO COCC[N@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000515500437 1194978717 /nfs/dbraw/zinc/97/87/17/1194978717.db2.gz VUFNUINTTDIXQD-PXNSSMCTSA-N 1 3 390.484 0.122 20 0 GCADHO COCC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000515500437 1194978719 /nfs/dbraw/zinc/97/87/19/1194978719.db2.gz VUFNUINTTDIXQD-PXNSSMCTSA-N 1 3 390.484 0.122 20 0 GCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000515500877 1194978853 /nfs/dbraw/zinc/97/88/53/1194978853.db2.gz QNPLRKVHCIBJEA-RDJZCZTQSA-N 1 3 391.520 0.137 20 0 GCADHO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000516632740 1195079161 /nfs/dbraw/zinc/07/91/61/1195079161.db2.gz MFZMPEOZTPGKBD-UHFFFAOYSA-N 1 3 375.517 0.878 20 0 GCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652734651 1195084843 /nfs/dbraw/zinc/08/48/43/1195084843.db2.gz RSDSHXVYBDGPSD-BZSNNMDCSA-N 1 3 380.533 0.676 20 0 GCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652734654 1195085176 /nfs/dbraw/zinc/08/51/76/1195085176.db2.gz RSDSHXVYBDGPSD-RCCFBDPRSA-N 1 3 380.533 0.676 20 0 GCADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000516750706 1195090166 /nfs/dbraw/zinc/09/01/66/1195090166.db2.gz FZRWOQFZCOAYFZ-RTBURBONSA-N 1 3 389.544 0.361 20 0 GCADHO C[C@@H]1CN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H](C)N1CCO ZINC000516955126 1195117136 /nfs/dbraw/zinc/11/71/36/1195117136.db2.gz QKTYYATVNGTLIJ-CALCHBBNSA-N 1 3 390.532 0.430 20 0 GCADHO COCCN(C)CCN1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1=O ZINC000517907230 1195229435 /nfs/dbraw/zinc/22/94/35/1195229435.db2.gz XULAVWDTAAPQSR-GOSISDBHSA-N 1 3 376.501 0.657 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000664727662 1195262569 /nfs/dbraw/zinc/26/25/69/1195262569.db2.gz NGTHLMFJIHIUFF-UHFFFAOYSA-N 1 3 377.533 0.952 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCc4nnnn4CC3)CC2)CC1 ZINC000518215160 1195267912 /nfs/dbraw/zinc/26/79/12/1195267912.db2.gz NRQMONHMSVUMAQ-INIZCTEOSA-N 1 3 375.521 0.691 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414971207 1195272504 /nfs/dbraw/zinc/27/25/04/1195272504.db2.gz HXSKZERGCHLOKH-GOSISDBHSA-N 1 3 399.495 0.036 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000518360319 1195282774 /nfs/dbraw/zinc/28/27/74/1195282774.db2.gz QMBCHBHGLVOYPM-LMMKCTJWSA-N 1 3 394.560 0.922 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(C)[nH]c1=O ZINC000439218431 1195296201 /nfs/dbraw/zinc/29/62/01/1195296201.db2.gz VKWAAAMASXUNKF-OAHLLOKOSA-N 1 3 377.489 0.909 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(C)[nH]c1=O ZINC000439218431 1195296204 /nfs/dbraw/zinc/29/62/04/1195296204.db2.gz VKWAAAMASXUNKF-OAHLLOKOSA-N 1 3 377.489 0.909 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550115097 1195441002 /nfs/dbraw/zinc/44/10/02/1195441002.db2.gz KILRLFJFUJIWOW-LJQANCHMSA-N 1 3 390.528 0.934 20 0 GCADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000550129076 1195444569 /nfs/dbraw/zinc/44/45/69/1195444569.db2.gz DAYULRJARBRLQV-KRWDZBQOSA-N 1 3 381.565 0.367 20 0 GCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000664832819 1195451036 /nfs/dbraw/zinc/45/10/36/1195451036.db2.gz MBHNNVPAHCICAM-HRCADAONSA-N 1 3 391.582 0.276 20 0 GCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000664832819 1195451037 /nfs/dbraw/zinc/45/10/37/1195451037.db2.gz MBHNNVPAHCICAM-HRCADAONSA-N 1 3 391.582 0.276 20 0 GCADHO CN(C)[C@H]1CN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C[C@@H]1O ZINC000664853944 1195486991 /nfs/dbraw/zinc/48/69/91/1195486991.db2.gz YCDJONXNBYOKJQ-OALUTQOASA-N 1 3 376.501 0.976 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000417025692 1195618429 /nfs/dbraw/zinc/61/84/29/1195618429.db2.gz RSPTVZKOLAALJU-HXUWFJFHSA-N 1 3 389.544 0.872 20 0 GCADHO COc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc(OC)c1OCC(N)=O ZINC000441367692 1195628884 /nfs/dbraw/zinc/62/88/84/1195628884.db2.gz IRPRPCIOATYROM-UHFFFAOYSA-N 1 3 394.516 0.684 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)N1CCN(C)CC1 ZINC000550383624 1195651511 /nfs/dbraw/zinc/65/15/11/1195651511.db2.gz OHULIJYMTFQVNK-SFHVURJKSA-N 1 3 381.565 0.223 20 0 GCADHO C[C@@H](CNC(=O)N1CCC[C@H](CN2CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000074654622 1195749999 /nfs/dbraw/zinc/74/99/99/1195749999.db2.gz HNJAWDPJTXIOQL-RBUKOAKNSA-N 1 3 381.565 0.624 20 0 GCADHO C[C@@H](CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000074654626 1195750085 /nfs/dbraw/zinc/75/00/85/1195750085.db2.gz HNJAWDPJTXIOQL-OALUTQOASA-N 1 3 381.565 0.624 20 0 GCADHO O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000521009012 1195953899 /nfs/dbraw/zinc/95/38/99/1195953899.db2.gz IHKZUGBVFGFOAL-IYBDPMFKSA-N 1 3 380.558 0.532 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@H+](C)C3CCCC3)C2)CC1 ZINC000521480978 1195999322 /nfs/dbraw/zinc/99/93/22/1195999322.db2.gz CPYPREWITWORLW-IBGZPJMESA-N 1 3 393.576 0.604 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CCCC3)C2)CC1 ZINC000521480978 1195999325 /nfs/dbraw/zinc/99/93/25/1195999325.db2.gz CPYPREWITWORLW-IBGZPJMESA-N 1 3 393.576 0.604 20 0 GCADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000443061646 1196017851 /nfs/dbraw/zinc/01/78/51/1196017851.db2.gz RWZLDYLCRYJABO-KKUMJFAQSA-N 1 3 382.530 0.961 20 0 GCADHO C[C@@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000114587366 1196106026 /nfs/dbraw/zinc/10/60/26/1196106026.db2.gz CLIFVFFKPCUUEX-MOPGFXCFSA-N 1 3 383.581 0.796 20 0 GCADHO C[C@@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000114587366 1196106027 /nfs/dbraw/zinc/10/60/27/1196106027.db2.gz CLIFVFFKPCUUEX-MOPGFXCFSA-N 1 3 383.581 0.796 20 0 GCADHO CC(C)(C)[NH+]1CCC(NC(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000114590311 1196106778 /nfs/dbraw/zinc/10/67/78/1196106778.db2.gz ZVIYWYLDJJDTLX-UHFFFAOYSA-N 1 3 383.581 0.939 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CCN4CCNC4=O)C[C@H]3C2)CC[N@@H+]1C ZINC001087972309 1196142660 /nfs/dbraw/zinc/14/26/60/1196142660.db2.gz WGGUULAHFYCJFS-VSZNYVQBSA-N 1 3 377.533 0.522 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CCN4CCNC4=O)C[C@H]3C2)CC[N@H+]1C ZINC001087972309 1196142665 /nfs/dbraw/zinc/14/26/65/1196142665.db2.gz WGGUULAHFYCJFS-VSZNYVQBSA-N 1 3 377.533 0.522 20 0 GCADHO COCCNc1nc(N2CCCN(C)CC2)nc(N2CCC[N@H+](C)CC2)n1 ZINC000301798510 1196434836 /nfs/dbraw/zinc/43/48/36/1196434836.db2.gz UWZLYKVHRJGDGF-UHFFFAOYSA-N 1 3 378.525 0.214 20 0 GCADHO COCCNc1nc(N2CCCN(C)CC2)nc(N2CCC[N@@H+](C)CC2)n1 ZINC000301798510 1196434838 /nfs/dbraw/zinc/43/48/38/1196434838.db2.gz UWZLYKVHRJGDGF-UHFFFAOYSA-N 1 3 378.525 0.214 20 0 GCADHO COCC[NH+]1CCC(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000523918103 1196566452 /nfs/dbraw/zinc/56/64/52/1196566452.db2.gz CYJYJLOBNINEFE-KRWDZBQOSA-N 1 3 383.537 0.339 20 0 GCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000524419717 1196594450 /nfs/dbraw/zinc/59/44/50/1196594450.db2.gz YSFHNYOBZDMLGH-MOPGFXCFSA-N 1 3 387.528 0.997 20 0 GCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000524419717 1196594457 /nfs/dbraw/zinc/59/44/57/1196594457.db2.gz YSFHNYOBZDMLGH-MOPGFXCFSA-N 1 3 387.528 0.997 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000446365045 1196637949 /nfs/dbraw/zinc/63/79/49/1196637949.db2.gz YQNBNRNPYNQKLK-NARAOEGZSA-N 1 3 380.533 0.578 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@]4(CNC(=O)C4)C3)CC2)CC1 ZINC000525809363 1196712317 /nfs/dbraw/zinc/71/23/17/1196712317.db2.gz IRSWCXAFKUKPTH-FQEVSTJZSA-N 1 3 377.533 0.857 20 0 GCADHO C[C@@H](NCCOCC[NH+](C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000447599997 1196732695 /nfs/dbraw/zinc/73/26/95/1196732695.db2.gz LIAJUDQEUGNYTK-MRXNPFEDSA-N 1 3 385.530 0.936 20 0 GCADHO COC(=O)c1scc(C)c1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000526131654 1196744266 /nfs/dbraw/zinc/74/42/66/1196744266.db2.gz OHYLDKUVWXABAI-UHFFFAOYSA-N 1 3 384.502 0.733 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000527124159 1196767553 /nfs/dbraw/zinc/76/75/53/1196767553.db2.gz MSUZAHUAYQWBAN-UHFFFAOYSA-N 1 3 398.529 0.122 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000527373742 1196784263 /nfs/dbraw/zinc/78/42/63/1196784263.db2.gz DBJVEGIQFMIMFJ-UHFFFAOYSA-N 1 3 378.473 0.355 20 0 GCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCCN2CCN(CCO)CC2)[C@@H](C)C1 ZINC000448519523 1196809227 /nfs/dbraw/zinc/80/92/27/1196809227.db2.gz DWNRGEBOOWIOKX-RBUKOAKNSA-N 1 3 383.581 0.748 20 0 GCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCCN2CCN(CCO)CC2)[C@@H](C)C1 ZINC000448519523 1196809233 /nfs/dbraw/zinc/80/92/33/1196809233.db2.gz DWNRGEBOOWIOKX-RBUKOAKNSA-N 1 3 383.581 0.748 20 0 GCADHO COC(=O)Cn1cc(CNCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)nn1 ZINC000449074900 1196852400 /nfs/dbraw/zinc/85/24/00/1196852400.db2.gz LQHQKVYAEXFRKE-LJQANCHMSA-N 1 3 386.500 0.920 20 0 GCADHO COC(=O)Cn1cc(CNCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)nn1 ZINC000449074900 1196852405 /nfs/dbraw/zinc/85/24/05/1196852405.db2.gz LQHQKVYAEXFRKE-LJQANCHMSA-N 1 3 386.500 0.920 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528717784 1196880957 /nfs/dbraw/zinc/88/09/57/1196880957.db2.gz FCKRGCULGKMARX-QGZVFWFLSA-N 1 3 387.484 0.939 20 0 GCADHO C[NH+](C)[C@@]1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCSC1 ZINC000530655733 1197005093 /nfs/dbraw/zinc/00/50/93/1197005093.db2.gz GUNSJDZADOJVSB-GOSISDBHSA-N 1 3 383.562 0.373 20 0 GCADHO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@H](C)C1 ZINC000192826015 1197248790 /nfs/dbraw/zinc/24/87/90/1197248790.db2.gz CGVLVDILXDMDGF-RTBURBONSA-N 1 3 396.576 0.525 20 0 GCADHO C[C@@H](O)C[N@H+]1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@H](C)C1 ZINC000192826015 1197248794 /nfs/dbraw/zinc/24/87/94/1197248794.db2.gz CGVLVDILXDMDGF-RTBURBONSA-N 1 3 396.576 0.525 20 0 GCADHO CCN1CCN(CCCNC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105319304 1197326269 /nfs/dbraw/zinc/32/62/69/1197326269.db2.gz ICXAGVSEVRSMDT-RBUKOAKNSA-N 1 3 393.576 0.463 20 0 GCADHO CCN1CCN(CCCNC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105319304 1197326274 /nfs/dbraw/zinc/32/62/74/1197326274.db2.gz ICXAGVSEVRSMDT-RBUKOAKNSA-N 1 3 393.576 0.463 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CNC(=O)OCC(F)(F)F)CC2)CC1 ZINC000110674634 1197331673 /nfs/dbraw/zinc/33/16/73/1197331673.db2.gz NUHIWACWHBAKNX-UHFFFAOYSA-N 1 3 380.411 0.950 20 0 GCADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000897463094 1197338524 /nfs/dbraw/zinc/33/85/24/1197338524.db2.gz BGYJSYWBTYWRCD-UHFFFAOYSA-N 1 3 393.576 0.607 20 0 GCADHO O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000666663695 1197360318 /nfs/dbraw/zinc/36/03/18/1197360318.db2.gz FJJWMZFSSUYKIG-UHFFFAOYSA-N 1 3 381.436 0.851 20 0 GCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000897474957 1197365647 /nfs/dbraw/zinc/36/56/47/1197365647.db2.gz GOHYYESZISTLFS-KXBFYZLASA-N 1 3 391.541 0.672 20 0 GCADHO CCNC(=O)N1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000132202768 1197380043 /nfs/dbraw/zinc/38/00/43/1197380043.db2.gz RRAYKAIVGMHUCS-INIZCTEOSA-N 1 3 380.537 0.648 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCCCN2CCN(C)CC2)CC1=O ZINC000105318863 1197391880 /nfs/dbraw/zinc/39/18/80/1197391880.db2.gz GSRIJXPTUIEFLP-MOPGFXCFSA-N 1 3 393.576 0.463 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCCCN2CCN(C)CC2)CC1=O ZINC000105318863 1197391884 /nfs/dbraw/zinc/39/18/84/1197391884.db2.gz GSRIJXPTUIEFLP-MOPGFXCFSA-N 1 3 393.576 0.463 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1)CN1CCN(C)CC1 ZINC000897493899 1197402352 /nfs/dbraw/zinc/40/23/52/1197402352.db2.gz ILWANQNIEILGSL-IBGZPJMESA-N 1 3 395.592 0.711 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1=O ZINC000249296694 1197482528 /nfs/dbraw/zinc/48/25/28/1197482528.db2.gz MPAFHPKTAPXSLA-GBESFXJTSA-N 1 3 393.576 0.461 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1=O ZINC000249296694 1197482532 /nfs/dbraw/zinc/48/25/32/1197482532.db2.gz MPAFHPKTAPXSLA-GBESFXJTSA-N 1 3 393.576 0.461 20 0 GCADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261750566 1197513398 /nfs/dbraw/zinc/51/33/98/1197513398.db2.gz DUKXNIDZNHWDJY-OAHLLOKOSA-N 1 3 392.466 0.974 20 0 GCADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261767928 1197514048 /nfs/dbraw/zinc/51/40/48/1197514048.db2.gz GJFKVCWXCMSTNQ-KSZLIROESA-N 1 3 379.549 0.119 20 0 GCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3[nH]nc4c3CNCC4)c2)C1 ZINC000262794825 1197537525 /nfs/dbraw/zinc/53/75/25/1197537525.db2.gz PANKVCYJLYHXCG-MRXNPFEDSA-N 1 3 396.495 0.683 20 0 GCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3[nH]nc4c3CNCC4)c2)C1 ZINC000262794825 1197537527 /nfs/dbraw/zinc/53/75/27/1197537527.db2.gz PANKVCYJLYHXCG-MRXNPFEDSA-N 1 3 396.495 0.683 20 0 GCADHO CCn1c(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nc2ccccc21 ZINC000785449767 1199046256 /nfs/dbraw/zinc/04/62/56/1199046256.db2.gz ZXSRZQLIZYDRBP-UHFFFAOYSA-N 1 3 388.516 0.624 20 0 GCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000672111574 1199109784 /nfs/dbraw/zinc/10/97/84/1199109784.db2.gz BOZADHBBGAZZFB-DLBZAZTESA-N 1 3 395.548 0.034 20 0 GCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000672111197 1199111140 /nfs/dbraw/zinc/11/11/40/1199111140.db2.gz CNAJVCGGTCRVNC-SJORKVTESA-N 1 3 395.548 0.036 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656326732 1199173150 /nfs/dbraw/zinc/17/31/50/1199173150.db2.gz CLLAKDVOTIURTF-OKYOBFRVSA-N 1 3 392.544 0.614 20 0 GCADHO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C2 ZINC000672268980 1199181414 /nfs/dbraw/zinc/18/14/14/1199181414.db2.gz KEYHFASVLCCLMM-INIZCTEOSA-N 1 3 392.500 0.067 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672311918 1199203318 /nfs/dbraw/zinc/20/33/18/1199203318.db2.gz VQLIDFVXQJWAQE-SFHVURJKSA-N 1 3 380.533 0.593 20 0 GCADHO CCN1CCN(C[C@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952926 1199218969 /nfs/dbraw/zinc/21/89/69/1199218969.db2.gz SGFWBGSUMHFOJT-MSOLQXFVSA-N 1 3 396.580 0.147 20 0 GCADHO CCN1CCN(C[C@H](C)CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952926 1199218970 /nfs/dbraw/zinc/21/89/70/1199218970.db2.gz SGFWBGSUMHFOJT-MSOLQXFVSA-N 1 3 396.580 0.147 20 0 GCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000672693405 1199317966 /nfs/dbraw/zinc/31/79/66/1199317966.db2.gz VYMXQSZBZNFULY-QRQLOZEOSA-N 1 3 394.560 0.861 20 0 GCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000673351595 1199566810 /nfs/dbraw/zinc/56/68/10/1199566810.db2.gz KUMLOTCWLUWXFF-GOSISDBHSA-N 1 3 376.501 0.414 20 0 GCADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000866976855 1199935256 /nfs/dbraw/zinc/93/52/56/1199935256.db2.gz YPFFCSJQIMXADM-HNNXBMFYSA-N 1 3 395.504 0.803 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2CCC(OC)CC2)CC1=O ZINC000674309668 1200219183 /nfs/dbraw/zinc/21/91/83/1200219183.db2.gz HISJFFVSHCUVGI-IRXDYDNUSA-N 1 3 380.533 0.546 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2CCC(OC)CC2)CC1=O ZINC000674309668 1200219191 /nfs/dbraw/zinc/21/91/91/1200219191.db2.gz HISJFFVSHCUVGI-IRXDYDNUSA-N 1 3 380.533 0.546 20 0 GCADHO O=C(C(=O)N1CC[NH+](CC2CCOCC2)CC1)N1CCN(C2CCCC2)CC1 ZINC000658147843 1200324531 /nfs/dbraw/zinc/32/45/31/1200324531.db2.gz FNHYQBOWNVFYCO-UHFFFAOYSA-N 1 3 392.544 0.644 20 0 GCADHO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000675709773 1200454519 /nfs/dbraw/zinc/45/45/19/1200454519.db2.gz DFAKZSROJQFFOD-MSOLQXFVSA-N 1 3 381.565 0.955 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCSC1 ZINC000427566907 1200650984 /nfs/dbraw/zinc/65/09/84/1200650984.db2.gz ZCJFJKCNJKASTH-SFHVURJKSA-N 1 3 394.545 0.642 20 0 GCADHO CCN1CCN(c2ccc(NC(=O)C[NH2+]C3(CO)CCOCC3)cc2)CC1 ZINC000731751048 1201500948 /nfs/dbraw/zinc/50/09/48/1201500948.db2.gz FUNRYOPFJNCGQG-UHFFFAOYSA-N 1 3 376.501 0.898 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(CCN4CCNC4=O)[C@H]3C2)CC[N@@H+]1C ZINC001084944960 1201503045 /nfs/dbraw/zinc/50/30/45/1201503045.db2.gz ZCBOKDFZVWQLOM-XDNAFOTISA-N 1 3 377.533 0.665 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(CCN4CCNC4=O)[C@H]3C2)CC[N@H+]1C ZINC001084944960 1201503048 /nfs/dbraw/zinc/50/30/48/1201503048.db2.gz ZCBOKDFZVWQLOM-XDNAFOTISA-N 1 3 377.533 0.665 20 0 GCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741415838 1201778844 /nfs/dbraw/zinc/77/88/44/1201778844.db2.gz XSLGKMJNYHBLKO-ZVDOUQERSA-N 1 3 388.512 0.786 20 0 GCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741415838 1201778846 /nfs/dbraw/zinc/77/88/46/1201778846.db2.gz XSLGKMJNYHBLKO-ZVDOUQERSA-N 1 3 388.512 0.786 20 0 GCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1-n1cc(CC[NH3+])cn1 ZINC001168947140 1201928939 /nfs/dbraw/zinc/92/89/39/1201928939.db2.gz SLWOTNTYUQVYMI-HNNXBMFYSA-N 1 3 375.473 0.874 20 0 GCADHO CCN(CC)C(=O)C[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001169472398 1201949521 /nfs/dbraw/zinc/94/95/21/1201949521.db2.gz PVVKPRBXWCQYGN-SFHVURJKSA-N 1 3 395.592 0.804 20 0 GCADHO C[C@@H]1[C@@H](C)N(C(=O)COCCOCC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)CCN1C ZINC000771392754 1202139467 /nfs/dbraw/zinc/13/94/67/1202139467.db2.gz AIFNHGLSSGPWDB-TVFCKZIOSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1[C@@H](C)N(C(=O)COCCOCC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)CCN1C ZINC000771392754 1202139470 /nfs/dbraw/zinc/13/94/70/1202139470.db2.gz AIFNHGLSSGPWDB-TVFCKZIOSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)COCCOCC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000771392754 1202139471 /nfs/dbraw/zinc/13/94/71/1202139471.db2.gz AIFNHGLSSGPWDB-TVFCKZIOSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)COCCOCC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000771392754 1202139473 /nfs/dbraw/zinc/13/94/73/1202139473.db2.gz AIFNHGLSSGPWDB-TVFCKZIOSA-N 1 3 398.548 0.122 20 0 GCADHO C[N@H+](CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CCCCC1 ZINC000787688601 1205398997 /nfs/dbraw/zinc/39/89/97/1205398997.db2.gz KAWQQFXJSAHBPC-MSOLQXFVSA-N 1 3 380.533 0.737 20 0 GCADHO C[N@@H+](CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CCCCC1 ZINC000787688601 1205399001 /nfs/dbraw/zinc/39/90/01/1205399001.db2.gz KAWQQFXJSAHBPC-MSOLQXFVSA-N 1 3 380.533 0.737 20 0 GCADHO CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000787893991 1205405229 /nfs/dbraw/zinc/40/52/29/1205405229.db2.gz HJINEBFJJOGUQA-ZWKOTPCHSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000787901138 1205409033 /nfs/dbraw/zinc/40/90/33/1205409033.db2.gz AINCGAXVCIHBPX-SQNIBIBYSA-N 1 3 380.533 0.737 20 0 GCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000787901138 1205409036 /nfs/dbraw/zinc/40/90/36/1205409036.db2.gz AINCGAXVCIHBPX-SQNIBIBYSA-N 1 3 380.533 0.737 20 0 GCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCSC1 ZINC000788252810 1205417333 /nfs/dbraw/zinc/41/73/33/1205417333.db2.gz QFVJPCZKCPINBU-QFBILLFUSA-N 1 3 398.573 0.300 20 0 GCADHO O=C1O[C@@]2(CN1CN1CCC(CN3CCOCC3)CC1)C[NH+]1CCC2CC1 ZINC000790371177 1205463757 /nfs/dbraw/zinc/46/37/57/1205463757.db2.gz VJOIHPDRCURINO-HXUWFJFHSA-N 1 3 378.517 0.905 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H](N)[C@@H]([N+](=c2ccccn2C)[C@@H](O)OC(C)(C)C)C1 ZINC001170389497 1205491310 /nfs/dbraw/zinc/49/13/10/1205491310.db2.gz QZBYNZAHYQAYEU-FYAJOAKPSA-N 1 3 381.541 0.785 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)N1CCCCC1 ZINC000793699100 1205504305 /nfs/dbraw/zinc/50/43/05/1205504305.db2.gz LTCCEUUFRRYBLW-KRWDZBQOSA-N 1 3 393.576 0.652 20 0 GCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793915352 1205509473 /nfs/dbraw/zinc/50/94/73/1205509473.db2.gz XSGIMLPBKYKAKA-IGKNDFSCSA-N 1 3 380.533 0.448 20 0 GCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793915352 1205509474 /nfs/dbraw/zinc/50/94/74/1205509474.db2.gz XSGIMLPBKYKAKA-IGKNDFSCSA-N 1 3 380.533 0.448 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000793916160 1205509514 /nfs/dbraw/zinc/50/95/14/1205509514.db2.gz XNZSIJGLIYENGH-MHORFTMASA-N 1 3 394.560 0.839 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000793916160 1205509515 /nfs/dbraw/zinc/50/95/15/1205509515.db2.gz XNZSIJGLIYENGH-MHORFTMASA-N 1 3 394.560 0.839 20 0 GCADHO CCc1cc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000805847353 1205545648 /nfs/dbraw/zinc/54/56/48/1205545648.db2.gz AVPNPFQJPWYHHT-KRWDZBQOSA-N 1 3 376.505 0.215 20 0 GCADHO CCc1cc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000805847353 1205545649 /nfs/dbraw/zinc/54/56/49/1205545649.db2.gz AVPNPFQJPWYHHT-KRWDZBQOSA-N 1 3 376.505 0.215 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000806697469 1205562929 /nfs/dbraw/zinc/56/29/29/1205562929.db2.gz HSRSBPZMCBKUDJ-MRXNPFEDSA-N 1 3 384.521 0.130 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000807698218 1205588681 /nfs/dbraw/zinc/58/86/81/1205588681.db2.gz IDAWPFVDGOHIAM-KRWDZBQOSA-N 1 3 376.501 0.448 20 0 GCADHO CN(C)CCN1CCN(C)C2(CC[NH+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC2)C1=O ZINC001172175523 1205713710 /nfs/dbraw/zinc/71/37/10/1205713710.db2.gz SUYVHRVONYCBCY-ROUUACIJSA-N 1 3 391.560 0.310 20 0 GCADHO CN1CCCC[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001178693309 1205792193 /nfs/dbraw/zinc/79/21/93/1205792193.db2.gz ZGMZNFAMUXMFRW-QGZVFWFLSA-N 1 3 379.549 0.168 20 0 GCADHO CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCOC[C@H]3CN(C)C)CC2)CC1 ZINC001179012342 1205799444 /nfs/dbraw/zinc/79/94/44/1205799444.db2.gz KODGMAHZEJEEIO-LJQANCHMSA-N 1 3 380.533 0.498 20 0 GCADHO NC(=O)C1CC[NH+](CCC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC001180613882 1205827542 /nfs/dbraw/zinc/82/75/42/1205827542.db2.gz VZBRXDHRSZMRLE-UHFFFAOYSA-N 1 3 387.528 0.997 20 0 GCADHO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CCCN1CC1CC1)CC2 ZINC001182557659 1205875738 /nfs/dbraw/zinc/87/57/38/1205875738.db2.gz YXRWXEVDDRVBDQ-INIZCTEOSA-N 1 3 389.500 0.725 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[C@H](O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001182647661 1205878361 /nfs/dbraw/zinc/87/83/61/1205878361.db2.gz FQVRDWUJJGDSCN-ZDXZYRICSA-N 1 3 387.521 0.053 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC(F)F)[C@@H](O)OC(C)(C)C)C1 ZINC001182967288 1205884173 /nfs/dbraw/zinc/88/41/73/1205884173.db2.gz QQXSTULAENWFCT-IKUJJKIKSA-N 1 3 381.464 0.937 20 0 GCADHO Cc1n[nH]cc1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001188061582 1205974841 /nfs/dbraw/zinc/97/48/41/1205974841.db2.gz IZIPQQGXVYVYJH-NBGIZXCLSA-N 1 3 397.520 0.627 20 0 GCADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCCCC1 ZINC000775220894 1205995587 /nfs/dbraw/zinc/99/55/87/1205995587.db2.gz CTDVBNCIFZHCPU-IRXDYDNUSA-N 1 3 380.533 0.737 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001189552651 1206009384 /nfs/dbraw/zinc/00/93/84/1206009384.db2.gz VDFJYVVWBSFYHP-JFGISWHTSA-N 1 3 399.492 0.025 20 0 GCADHO CNC(=O)CN1CCOC[C@]2(CCCN(c3cc(N(C)C)nc(C)[nH+]3)C2)C1 ZINC001164720351 720219254 /nfs/dbraw/zinc/21/92/54/720219254.db2.gz YYDJGERSKAZLHW-LJQANCHMSA-N 1 3 376.505 0.516 20 0 GCADHO Cn1cc(CN2CC[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@@H]3C2)cn1 ZINC001164773643 721144612 /nfs/dbraw/zinc/14/46/12/721144612.db2.gz YNLMYXFQKCKTIV-MSOLQXFVSA-N 1 3 382.516 0.578 20 0 GCADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889749 721391420 /nfs/dbraw/zinc/39/14/20/721391420.db2.gz MAAUJZRDXAFCHD-WIYYLYMNSA-N 1 3 386.544 0.888 20 0 GCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574714058 949618889 /nfs/dbraw/zinc/61/88/89/949618889.db2.gz ZXZLGJLSOWKVJO-TZMCWYRMSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574714058 949618901 /nfs/dbraw/zinc/61/89/01/949618901.db2.gz ZXZLGJLSOWKVJO-TZMCWYRMSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574714058 949618911 /nfs/dbraw/zinc/61/89/11/949618911.db2.gz ZXZLGJLSOWKVJO-TZMCWYRMSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574714058 949618916 /nfs/dbraw/zinc/61/89/16/949618916.db2.gz ZXZLGJLSOWKVJO-TZMCWYRMSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101246 951855706 /nfs/dbraw/zinc/85/57/06/951855706.db2.gz BGJCAJYCHCHWEL-OCCSQVGLSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101246 951855708 /nfs/dbraw/zinc/85/57/08/951855708.db2.gz BGJCAJYCHCHWEL-OCCSQVGLSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101246 951855712 /nfs/dbraw/zinc/85/57/12/951855712.db2.gz BGJCAJYCHCHWEL-OCCSQVGLSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101246 951855717 /nfs/dbraw/zinc/85/57/17/951855717.db2.gz BGJCAJYCHCHWEL-OCCSQVGLSA-N 1 3 375.452 0.799 20 0 GCADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001571190464 952941824 /nfs/dbraw/zinc/94/18/24/952941824.db2.gz JIKFQRSSFVLMHE-KSZLIROESA-N 1 3 381.484 0.945 20 0 GCADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001571190464 952941827 /nfs/dbraw/zinc/94/18/27/952941827.db2.gz JIKFQRSSFVLMHE-KSZLIROESA-N 1 3 381.484 0.945 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000530641671 530154539 /nfs/dbraw/zinc/15/45/39/530154539.db2.gz DOIVMYONKBFDSO-UHFFFAOYSA-N 1 3 390.575 0.405 20 0 GCADHO CN(C)[C@]1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCSC1 ZINC000417841447 530576454 /nfs/dbraw/zinc/57/64/54/530576454.db2.gz XKDAXKKFBTUBNW-OCCSQVGLSA-N 1 3 383.484 0.559 20 0 GCADHO CN(C)[C@@]1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCSC1 ZINC000417841438 530576580 /nfs/dbraw/zinc/57/65/80/530576580.db2.gz XKDAXKKFBTUBNW-GXTWGEPZSA-N 1 3 383.484 0.559 20 0 GCADHO CN(C)[C@]1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCSC1 ZINC000417841443 530576892 /nfs/dbraw/zinc/57/68/92/530576892.db2.gz XKDAXKKFBTUBNW-JSGCOSHPSA-N 1 3 383.484 0.559 20 0 GCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000420027763 530964802 /nfs/dbraw/zinc/96/48/02/530964802.db2.gz LISWMFJCWDUTAE-LBPRGKRZSA-N 1 3 385.306 0.803 20 0 GCADHO CCOCCCN1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@@H](C)C1 ZINC000772946615 640852525 /nfs/dbraw/zinc/85/25/25/640852525.db2.gz ODCKOAUZKHRSPA-DLBZAZTESA-N 1 3 377.551 0.375 20 0 GCADHO CCOCCCN1CC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@@H](C)C1 ZINC000772946622 640852627 /nfs/dbraw/zinc/85/26/27/640852627.db2.gz ODCKOAUZKHRSPA-IRXDYDNUSA-N 1 3 377.551 0.375 20 0 GCADHO CN(C)C[C@@H]1CN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000867591257 641360372 /nfs/dbraw/zinc/36/03/72/641360372.db2.gz ZVWPDPDWBXJLGX-HUUCEWRRSA-N 1 3 397.607 0.201 20 0 GCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000563081861 1192182131 /nfs/dbraw/zinc/18/21/31/1192182131.db2.gz SMHSKTXVZDOLBW-GOSISDBHSA-N 1 3 392.475 0.653 20 0 GCADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000652459920 1192228194 /nfs/dbraw/zinc/22/81/94/1192228194.db2.gz UZVBXOOEZMPIFD-UHFFFAOYSA-N 1 3 391.516 0.833 20 0 GCADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000652459920 1192228196 /nfs/dbraw/zinc/22/81/96/1192228196.db2.gz UZVBXOOEZMPIFD-UHFFFAOYSA-N 1 3 391.516 0.833 20 0 GCADHO [NH3+]CCn1cc(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)nn1 ZINC000662390770 1192288753 /nfs/dbraw/zinc/28/87/53/1192288753.db2.gz MXFGKBMLZXVYGG-UHFFFAOYSA-N 1 3 385.516 0.565 20 0 GCADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662577117 1192313961 /nfs/dbraw/zinc/31/39/61/1192313961.db2.gz DHCVFVQLTMJKDM-OTWHNJEPSA-N 1 3 383.496 0.968 20 0 GCADHO O=C(NCCN1CC[C@H](O)C1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000636892202 1192336054 /nfs/dbraw/zinc/33/60/54/1192336054.db2.gz RTGUERJXDFAFGI-IBGZPJMESA-N 1 3 376.501 0.509 20 0 GCADHO CC(C)(O)CN1CCN(c2cnc(N3CC[NH+](CC(C)(C)O)CC3)cn2)CC1 ZINC000663533692 1192376833 /nfs/dbraw/zinc/37/68/33/1192376833.db2.gz SWBDZZGMGXWVGR-UHFFFAOYSA-N 1 3 392.548 0.262 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@](C)(C(F)F)O1 ZINC000663537324 1192377297 /nfs/dbraw/zinc/37/72/97/1192377297.db2.gz GTOVDAUXAIJTBZ-CXAGYDPISA-N 1 3 378.464 0.209 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000585725337 1192398809 /nfs/dbraw/zinc/39/88/09/1192398809.db2.gz MSTFKHSQVGTDCT-IPMKNSEASA-N 1 3 391.560 0.356 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000585725337 1192398813 /nfs/dbraw/zinc/39/88/13/1192398813.db2.gz MSTFKHSQVGTDCT-IPMKNSEASA-N 1 3 391.560 0.356 20 0 GCADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418630703 1192620990 /nfs/dbraw/zinc/62/09/90/1192620990.db2.gz FZWPLXYXJFEAEM-HBFSDRIKSA-N 1 3 385.512 0.819 20 0 GCADHO COCC1(CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000418638782 1192623058 /nfs/dbraw/zinc/62/30/58/1192623058.db2.gz LSWPWFVULMJKGB-OAQYLSRUSA-N 1 3 390.528 0.939 20 0 GCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000418765022 1192640242 /nfs/dbraw/zinc/64/02/42/1192640242.db2.gz ATWOBHQOBMOGSF-SFHVURJKSA-N 1 3 387.528 0.525 20 0 GCADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000418774662 1192642197 /nfs/dbraw/zinc/64/21/97/1192642197.db2.gz DKQKASMCJYFKKG-UHFFFAOYSA-N 1 3 387.528 0.527 20 0 GCADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418788954 1192644231 /nfs/dbraw/zinc/64/42/31/1192644231.db2.gz WFALDYWPWWDCBX-GOSISDBHSA-N 1 3 387.528 0.573 20 0 GCADHO [NH3+]C1(CNC(=O)C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCC1 ZINC000418782316 1192644724 /nfs/dbraw/zinc/64/47/24/1192644724.db2.gz NCDHSIPBASNXGY-UHFFFAOYSA-N 1 3 387.528 0.703 20 0 GCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000418864887 1192672159 /nfs/dbraw/zinc/67/21/59/1192672159.db2.gz RAWHXXGMBABFGS-MSOLQXFVSA-N 1 3 376.501 0.762 20 0 GCADHO C[C@@H]([NH2+]C1(CNC(=O)C(=O)NC[C@H]2CNCCO2)CCCC1)c1ccccc1 ZINC000418870392 1192673619 /nfs/dbraw/zinc/67/36/19/1192673619.db2.gz UAIAEUYWWXYVIJ-SJLPKXTDSA-N 1 3 388.512 0.871 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419021267 1192726065 /nfs/dbraw/zinc/72/60/65/1192726065.db2.gz GQLQTFBTHVXCDU-KCITZHQASA-N 1 3 394.560 0.968 20 0 GCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000419030530 1192733273 /nfs/dbraw/zinc/73/32/73/1192733273.db2.gz HVMGDGUGAJLDLG-MRXNPFEDSA-N 1 3 382.574 0.922 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419026763 1192728488 /nfs/dbraw/zinc/72/84/88/1192728488.db2.gz NSCOFKDJQNKPDA-JFRXWTBNSA-N 1 3 394.560 0.968 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000419044392 1192738286 /nfs/dbraw/zinc/73/82/86/1192738286.db2.gz PTLYAGKIKCDDBN-HOCLYGCPSA-N 1 3 384.521 0.221 20 0 GCADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1cccc(OC)c1 ZINC000419074759 1192772753 /nfs/dbraw/zinc/77/27/53/1192772753.db2.gz MGSQYRUIKYCWOQ-QZTJIDSGSA-N 1 3 392.500 0.299 20 0 GCADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419160462 1192818506 /nfs/dbraw/zinc/81/85/06/1192818506.db2.gz HLBZJCHCDAMVAP-LJQANCHMSA-N 1 3 389.544 0.281 20 0 GCADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419163552 1192820625 /nfs/dbraw/zinc/82/06/25/1192820625.db2.gz LOYOQKAMEKYVFG-OALUTQOASA-N 1 3 390.528 0.754 20 0 GCADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419162837 1192821606 /nfs/dbraw/zinc/82/16/06/1192821606.db2.gz ICKSGNKGRPYOAR-SFHVURJKSA-N 1 3 376.501 0.510 20 0 GCADHO O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419168046 1192823232 /nfs/dbraw/zinc/82/32/32/1192823232.db2.gz ROMUSGQSJPSVRE-LJQANCHMSA-N 1 3 386.496 0.430 20 0 GCADHO COc1cc(CN(C)[C@@]2(CO)CCOC2)cc(C[N@H+](C)[C@@]2(CO)CCOC2)c1 ZINC000432868762 1192830733 /nfs/dbraw/zinc/83/07/33/1192830733.db2.gz XOLGZXKXDTYWKF-NHCUHLMSSA-N 1 3 394.512 0.862 20 0 GCADHO COc1cc(CN(C)[C@@]2(CO)CCOC2)cc(C[N@@H+](C)[C@@]2(CO)CCOC2)c1 ZINC000432868762 1192830738 /nfs/dbraw/zinc/83/07/38/1192830738.db2.gz XOLGZXKXDTYWKF-NHCUHLMSSA-N 1 3 394.512 0.862 20 0 GCADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CNCCO3)cc2)C1 ZINC000419196017 1192832555 /nfs/dbraw/zinc/83/25/55/1192832555.db2.gz AGWKSLIEDLBJJT-APWZRJJASA-N 1 3 388.512 0.639 20 0 GCADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CNCCO3)cc2)C1 ZINC000419196017 1192832558 /nfs/dbraw/zinc/83/25/58/1192832558.db2.gz AGWKSLIEDLBJJT-APWZRJJASA-N 1 3 388.512 0.639 20 0 GCADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000432871939 1192838528 /nfs/dbraw/zinc/83/85/28/1192838528.db2.gz KFITVCYZHMZZRT-UHFFFAOYSA-N 1 3 396.557 0.827 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419198973 1192838770 /nfs/dbraw/zinc/83/87/70/1192838770.db2.gz DDHVVMBLURSULA-PBHICJAKSA-N 1 3 392.500 0.472 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893742962 1192848586 /nfs/dbraw/zinc/84/85/86/1192848586.db2.gz NPJHTLDQKMTBGZ-MKXGPGLRSA-N 1 3 380.533 0.605 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893741580 1192847812 /nfs/dbraw/zinc/84/78/12/1192847812.db2.gz SKBDUMDRINLCST-WCIQWLHISA-N 1 3 394.560 0.995 20 0 GCADHO COCC(=O)N1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000051758743 1192906064 /nfs/dbraw/zinc/90/60/64/1192906064.db2.gz WPPLMASYUOOGBB-UHFFFAOYSA-N 1 3 381.521 0.045 20 0 GCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000410945736 1192919143 /nfs/dbraw/zinc/91/91/43/1192919143.db2.gz NUMMRYIOYHSUPS-SJORKVTESA-N 1 3 380.533 0.641 20 0 GCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000274515107 1184083039 /nfs/dbraw/zinc/08/30/39/1184083039.db2.gz MFPJTPAVTORHFL-QGZVFWFLSA-N 1 3 389.544 0.871 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000643542112 1184121325 /nfs/dbraw/zinc/12/13/25/1184121325.db2.gz NKPBFSJOYLNPOR-UHFFFAOYSA-N 1 3 376.501 0.925 20 0 GCADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000579838042 1184311785 /nfs/dbraw/zinc/31/17/85/1184311785.db2.gz FBRWDQOLHWBNAI-INIZCTEOSA-N 1 3 399.499 0.967 20 0 GCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000109182174 1184341316 /nfs/dbraw/zinc/34/13/16/1184341316.db2.gz QSVUKBHRYOKTFL-SFHVURJKSA-N 1 3 376.501 0.896 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000671950342 1184465352 /nfs/dbraw/zinc/46/53/52/1184465352.db2.gz BTNNNMSMHFSBMB-UHFFFAOYSA-N 1 3 393.576 0.604 20 0 GCADHO CCC(C)(C)N1CCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000656086534 1185023613 /nfs/dbraw/zinc/02/36/13/1185023613.db2.gz BBPDEUQZMITHMP-UHFFFAOYSA-N 1 3 383.581 0.661 20 0 GCADHO CCC(C)(C)N1CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC1 ZINC000656086534 1185023620 /nfs/dbraw/zinc/02/36/20/1185023620.db2.gz BBPDEUQZMITHMP-UHFFFAOYSA-N 1 3 383.581 0.661 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cncnc1N(C)C ZINC000275792957 1185059670 /nfs/dbraw/zinc/05/96/70/1185059670.db2.gz CJLZMYMYWYZLGD-HNNXBMFYSA-N 1 3 391.520 0.356 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cncnc1N(C)C ZINC000275792957 1185059676 /nfs/dbraw/zinc/05/96/76/1185059676.db2.gz CJLZMYMYWYZLGD-HNNXBMFYSA-N 1 3 391.520 0.356 20 0 GCADHO CN1CCN(CCCCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000076947864 1185162356 /nfs/dbraw/zinc/16/23/56/1185162356.db2.gz GANJWFANSRGPAD-UHFFFAOYSA-N 1 3 381.565 0.958 20 0 GCADHO COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000580722841 1185315568 /nfs/dbraw/zinc/31/55/68/1185315568.db2.gz HMFOPKADOOWIMP-PMACEKPBSA-N 1 3 384.565 0.192 20 0 GCADHO COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000580722841 1185315573 /nfs/dbraw/zinc/31/55/73/1185315573.db2.gz HMFOPKADOOWIMP-PMACEKPBSA-N 1 3 384.565 0.192 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000580737291 1185320185 /nfs/dbraw/zinc/32/01/85/1185320185.db2.gz PMCAXUQLCVLVFL-RTBURBONSA-N 1 3 394.560 0.813 20 0 GCADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656330542 1185427987 /nfs/dbraw/zinc/42/79/87/1185427987.db2.gz PSQZORBZLYFYDF-QXAKKESOSA-N 1 3 392.544 0.737 20 0 GCADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656354120 1185448128 /nfs/dbraw/zinc/44/81/28/1185448128.db2.gz FCWPMHWQZFYUCU-BZSNNMDCSA-N 1 3 380.533 0.689 20 0 GCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)CC2)C1 ZINC000656356346 1185456707 /nfs/dbraw/zinc/45/67/07/1185456707.db2.gz SMRJSFOBGJDWFN-FHWLQOOXSA-N 1 3 391.560 0.358 20 0 GCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)CC2)C1 ZINC000656356346 1185456712 /nfs/dbraw/zinc/45/67/12/1185456712.db2.gz SMRJSFOBGJDWFN-FHWLQOOXSA-N 1 3 391.560 0.358 20 0 GCADHO COc1cccc2c1OCC[C@H]2NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000656360777 1185465716 /nfs/dbraw/zinc/46/57/16/1185465716.db2.gz IKJVQPYFUQMRFD-MRXNPFEDSA-N 1 3 392.500 0.587 20 0 GCADHO C[NH+](C)CCOCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000471637542 1185472284 /nfs/dbraw/zinc/47/22/84/1185472284.db2.gz XGHIPFOCDWQDGA-MOPGFXCFSA-N 1 3 378.517 0.747 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(OC)ncn1 ZINC000276073533 1185547392 /nfs/dbraw/zinc/54/73/92/1185547392.db2.gz SVRNXCDOXGNEEA-CQSZACIVSA-N 1 3 378.477 0.298 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(OC)ncn1 ZINC000276073533 1185547398 /nfs/dbraw/zinc/54/73/98/1185547398.db2.gz SVRNXCDOXGNEEA-CQSZACIVSA-N 1 3 378.477 0.298 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccn(CCOC)n1 ZINC000276074966 1185548482 /nfs/dbraw/zinc/54/84/82/1185548482.db2.gz SYNWASKJYOQKML-MRXNPFEDSA-N 1 3 394.520 0.343 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccn(CCOC)n1 ZINC000276074966 1185548487 /nfs/dbraw/zinc/54/84/87/1185548487.db2.gz SYNWASKJYOQKML-MRXNPFEDSA-N 1 3 394.520 0.343 20 0 GCADHO O=C(NCC1CC[NH2+]CC1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000581360101 1185614361 /nfs/dbraw/zinc/61/43/61/1185614361.db2.gz GZNOHBBSPKNUIZ-UHFFFAOYSA-N 1 3 382.574 0.970 20 0 GCADHO CC[NH2+]CC1CCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430582320 1185639280 /nfs/dbraw/zinc/63/92/80/1185639280.db2.gz PVFLLSKHUGPENO-OAHLLOKOSA-N 1 3 396.557 0.703 20 0 GCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000581451567 1185697202 /nfs/dbraw/zinc/69/72/02/1185697202.db2.gz IQOCWQRLOHDGSI-KBAYOESNSA-N 1 3 380.533 0.471 20 0 GCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000581511445 1185734727 /nfs/dbraw/zinc/73/47/27/1185734727.db2.gz MEHVTHOTENZZLM-ZWKOTPCHSA-N 1 3 382.549 0.669 20 0 GCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000533817472 1185767087 /nfs/dbraw/zinc/76/70/87/1185767087.db2.gz UKSOQVKAUDIATE-KNCCTNLNSA-N 1 3 394.585 0.917 20 0 GCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000533817472 1185767095 /nfs/dbraw/zinc/76/70/95/1185767095.db2.gz UKSOQVKAUDIATE-KNCCTNLNSA-N 1 3 394.585 0.917 20 0 GCADHO COCCC1(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000891481745 1185887010 /nfs/dbraw/zinc/88/70/10/1185887010.db2.gz GKKFNBXSYABJPM-INIZCTEOSA-N 1 3 383.537 0.387 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000581819259 1185900248 /nfs/dbraw/zinc/90/02/48/1185900248.db2.gz MFYYFNAFJVEJGA-LJQANCHMSA-N 1 3 387.528 0.309 20 0 GCADHO COc1cccc([C@@H]2CNCCN2C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000891528250 1185905748 /nfs/dbraw/zinc/90/57/48/1185905748.db2.gz NVNWXRSAPLXVIY-LPHOPBHVSA-N 1 3 375.517 0.987 20 0 GCADHO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000891566286 1185921024 /nfs/dbraw/zinc/92/10/24/1185921024.db2.gz TZOXBXXSFGOBNU-UXHICEINSA-N 1 3 387.528 0.407 20 0 GCADHO C[NH2+]CC1CCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430968842 1186075018 /nfs/dbraw/zinc/07/50/18/1186075018.db2.gz ZJCPRFIFBSJBCO-CQSZACIVSA-N 1 3 382.530 0.313 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000933847424 1186108984 /nfs/dbraw/zinc/10/89/84/1186108984.db2.gz GRIBRIHZLLJUAC-ROUUACIJSA-N 1 3 393.576 0.319 20 0 GCADHO CC1(C)CCN(CCNC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000933852477 1186111175 /nfs/dbraw/zinc/11/11/75/1186111175.db2.gz SKPASPUJYSQPGW-UHFFFAOYSA-N 1 3 394.560 0.842 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000276840317 1186115449 /nfs/dbraw/zinc/11/54/49/1186115449.db2.gz IRNHMDLHMNNNMS-RDJZCZTQSA-N 1 3 376.505 0.480 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458239237 1186218169 /nfs/dbraw/zinc/21/81/69/1186218169.db2.gz ZBBPPBOJPJJHCD-IAGOWNOFSA-N 1 3 383.537 0.075 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458239237 1186218176 /nfs/dbraw/zinc/21/81/76/1186218176.db2.gz ZBBPPBOJPJJHCD-IAGOWNOFSA-N 1 3 383.537 0.075 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458229853 1186219612 /nfs/dbraw/zinc/21/96/12/1186219612.db2.gz QUSLTXCIKZQWND-IAGOWNOFSA-N 1 3 383.537 0.075 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458229853 1186219621 /nfs/dbraw/zinc/21/96/21/1186219621.db2.gz QUSLTXCIKZQWND-IAGOWNOFSA-N 1 3 383.537 0.075 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)CC2)CC1 ZINC000151342667 1186286686 /nfs/dbraw/zinc/28/66/86/1186286686.db2.gz NTNHOTRQMRDWMK-ROUUACIJSA-N 1 3 377.533 0.998 20 0 GCADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1Cc2ccccc2CN1 ZINC000892107444 1186344881 /nfs/dbraw/zinc/34/48/81/1186344881.db2.gz JWVGOQGYYAFEDS-HOTGVXAUSA-N 1 3 385.434 0.836 20 0 GCADHO Cc1nn(C)c2ncc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc12 ZINC000130523959 1186364653 /nfs/dbraw/zinc/36/46/53/1186364653.db2.gz BMTWYTPARXWWTH-UHFFFAOYSA-N 1 3 375.477 0.167 20 0 GCADHO CN1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000582230722 1186470217 /nfs/dbraw/zinc/47/02/17/1186470217.db2.gz XGHRNKDSQZOUMK-HXUWFJFHSA-N 1 3 388.560 0.479 20 0 GCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000582532602 1186558705 /nfs/dbraw/zinc/55/87/05/1186558705.db2.gz BWHHZNARDRPRRO-MOPGFXCFSA-N 1 3 393.576 0.556 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000582680706 1186607773 /nfs/dbraw/zinc/60/77/73/1186607773.db2.gz LRECSKAJIOBUDS-ZWKOTPCHSA-N 1 3 379.549 0.073 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[C@@H]2F)[C@@H](O)OC(C)(C)C)C1 ZINC001143446062 1186614757 /nfs/dbraw/zinc/61/47/57/1186614757.db2.gz PIIFPMLGHFUTOK-FNXVAGDRSA-N 1 3 375.485 0.640 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[C@@H]2F)[C@@H](O)OC(C)(C)C)C1 ZINC001143446054 1186615378 /nfs/dbraw/zinc/61/53/78/1186615378.db2.gz PIIFPMLGHFUTOK-DOGFAARBSA-N 1 3 375.485 0.640 20 0 GCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000121828943 1186744163 /nfs/dbraw/zinc/74/41/63/1186744163.db2.gz WIWVOFROYMQTSJ-NRFANRHFSA-N 1 3 391.560 0.806 20 0 GCADHO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N(C)CCC[N@H+](C)CCN(C)C ZINC000583107570 1186771604 /nfs/dbraw/zinc/77/16/04/1186771604.db2.gz YTCOADXWYDSBGB-IBGZPJMESA-N 1 3 390.576 0.934 20 0 GCADHO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N(C)CCC[N@@H+](C)CCN(C)C ZINC000583107570 1186771608 /nfs/dbraw/zinc/77/16/08/1186771608.db2.gz YTCOADXWYDSBGB-IBGZPJMESA-N 1 3 390.576 0.934 20 0 GCADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)Nc1ccnn1-c1ccncc1 ZINC000685131309 1186846044 /nfs/dbraw/zinc/84/60/44/1186846044.db2.gz YOLFMAXHWVXVCT-UHFFFAOYSA-N 1 3 387.488 0.548 20 0 GCADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)Nc1ccnn1-c1ccncc1 ZINC000685131309 1186846047 /nfs/dbraw/zinc/84/60/47/1186846047.db2.gz YOLFMAXHWVXVCT-UHFFFAOYSA-N 1 3 387.488 0.548 20 0 GCADHO CN(CCCN(C)C(=O)C(=O)Nc1ccnn1-c1ccncc1)CC[NH+](C)C ZINC000685131309 1186846053 /nfs/dbraw/zinc/84/60/53/1186846053.db2.gz YOLFMAXHWVXVCT-UHFFFAOYSA-N 1 3 387.488 0.548 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892342583 1186882391 /nfs/dbraw/zinc/88/23/91/1186882391.db2.gz KMDQFAXLXBPEMO-LJQANCHMSA-N 1 3 385.512 0.780 20 0 GCADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CC[C@@H]([N@H+](C)CCc4ccccc4)C3)C[C@H]21 ZINC000583764196 1186934586 /nfs/dbraw/zinc/93/45/86/1186934586.db2.gz AFHXHMKXHVOMFC-XUVXKRRUSA-N 1 3 384.524 0.924 20 0 GCADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CC[C@@H]([N@@H+](C)CCc4ccccc4)C3)C[C@H]21 ZINC000583764196 1186934587 /nfs/dbraw/zinc/93/45/87/1186934587.db2.gz AFHXHMKXHVOMFC-XUVXKRRUSA-N 1 3 384.524 0.924 20 0 GCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)CCN2C1=O ZINC000584005913 1186978715 /nfs/dbraw/zinc/97/87/15/1186978715.db2.gz OSISKPVTTLEBLE-ZMSDIMECSA-N 1 3 391.541 0.914 20 0 GCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)CCN2C1=O ZINC000584005913 1186978719 /nfs/dbraw/zinc/97/87/19/1186978719.db2.gz OSISKPVTTLEBLE-ZMSDIMECSA-N 1 3 391.541 0.914 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000584011130 1186980635 /nfs/dbraw/zinc/98/06/35/1186980635.db2.gz ZYXHPJMVRVEIMK-QGZVFWFLSA-N 1 3 382.549 0.936 20 0 GCADHO CCN(C(C)=O)c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000657839670 1187031334 /nfs/dbraw/zinc/03/13/34/1187031334.db2.gz YGUWGEXUOIGJOB-UHFFFAOYSA-N 1 3 392.504 0.345 20 0 GCADHO CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CCN(CCc2ccccn2)CC1 ZINC000584352913 1187037313 /nfs/dbraw/zinc/03/73/13/1187037313.db2.gz GTGQDLWIAJDQJP-IBGZPJMESA-N 1 3 387.528 0.805 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCOC(C2CC2)(C2CC2)C1 ZINC000658537015 1187330874 /nfs/dbraw/zinc/33/08/74/1187330874.db2.gz SFFRXNANBWCEGC-UHFFFAOYSA-N 1 3 380.533 0.356 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612479231 1187502804 /nfs/dbraw/zinc/50/28/04/1187502804.db2.gz AOQYBLQFKSBBNZ-WMZOPIPTSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000612484978 1187505744 /nfs/dbraw/zinc/50/57/44/1187505744.db2.gz JULIZUAPLNIAAF-OALUTQOASA-N 1 3 393.576 0.461 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000612484978 1187505747 /nfs/dbraw/zinc/50/57/47/1187505747.db2.gz JULIZUAPLNIAAF-OALUTQOASA-N 1 3 393.576 0.461 20 0 GCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000612544169 1187518502 /nfs/dbraw/zinc/51/85/02/1187518502.db2.gz WJIFXJWRUONCDF-GOSISDBHSA-N 1 3 393.576 0.606 20 0 GCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612593934 1187534780 /nfs/dbraw/zinc/53/47/80/1187534780.db2.gz HMOKDCLCFVUHOB-GOSISDBHSA-N 1 3 380.533 0.690 20 0 GCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612595270 1187535389 /nfs/dbraw/zinc/53/53/89/1187535389.db2.gz FXFRUHKCSNXCPU-FGTMMUONSA-N 1 3 378.517 0.441 20 0 GCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612596722 1187537144 /nfs/dbraw/zinc/53/71/44/1187537144.db2.gz SJKGQPKZACHCGX-FUHWJXTLSA-N 1 3 380.533 0.546 20 0 GCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612596722 1187537146 /nfs/dbraw/zinc/53/71/46/1187537146.db2.gz SJKGQPKZACHCGX-FUHWJXTLSA-N 1 3 380.533 0.546 20 0 GCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612590940 1187537158 /nfs/dbraw/zinc/53/71/58/1187537158.db2.gz GYAUWJFLXSVWRI-IBGZPJMESA-N 1 3 392.544 0.594 20 0 GCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000612599363 1187538572 /nfs/dbraw/zinc/53/85/72/1187538572.db2.gz UISQZKCHLFGPCH-MOPGFXCFSA-N 1 3 392.544 0.833 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000612601706 1187540283 /nfs/dbraw/zinc/54/02/83/1187540283.db2.gz SYVVAAZNKFXNCZ-QZTJIDSGSA-N 1 3 378.517 0.443 20 0 GCADHO COCC[NH+](CCOC)C1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000376343971 1187779168 /nfs/dbraw/zinc/77/91/68/1187779168.db2.gz MOEXQEFSAJWDPP-MOPGFXCFSA-N 1 3 398.548 0.618 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)CC2)CC1 ZINC000549046262 1187795634 /nfs/dbraw/zinc/79/56/34/1187795634.db2.gz JSKSQACIIHTZIZ-QZTJIDSGSA-N 1 3 377.533 0.998 20 0 GCADHO C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)CC2)C[C@H](C)O1 ZINC000658987244 1187831025 /nfs/dbraw/zinc/83/10/25/1187831025.db2.gz NJCUIVHCXPCYFE-PBWTXFEYSA-N 1 3 392.544 0.497 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000659073673 1187864228 /nfs/dbraw/zinc/86/42/28/1187864228.db2.gz GFUHOIPUYGQDIH-GOSISDBHSA-N 1 3 389.500 0.299 20 0 GCADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659113053 1187892703 /nfs/dbraw/zinc/89/27/03/1187892703.db2.gz RIUMZKUVMSJNPE-UHFFFAOYSA-N 1 3 386.456 0.738 20 0 GCADHO CC(C)N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000659344557 1187945851 /nfs/dbraw/zinc/94/58/51/1187945851.db2.gz FWFAFCXMKGXZRN-GOSISDBHSA-N 1 3 379.549 0.166 20 0 GCADHO CC(C)N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000659344557 1187945852 /nfs/dbraw/zinc/94/58/52/1187945852.db2.gz FWFAFCXMKGXZRN-GOSISDBHSA-N 1 3 379.549 0.166 20 0 GCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)C1 ZINC000659456311 1187960866 /nfs/dbraw/zinc/96/08/66/1187960866.db2.gz KMEFWQJMGSJISM-UKRRQHHQSA-N 1 3 380.493 0.577 20 0 GCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)C1 ZINC000659456311 1187960867 /nfs/dbraw/zinc/96/08/67/1187960867.db2.gz KMEFWQJMGSJISM-UKRRQHHQSA-N 1 3 380.493 0.577 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000659478258 1187962990 /nfs/dbraw/zinc/96/29/90/1187962990.db2.gz BYHAWTQVYLDBMH-MRXNPFEDSA-N 1 3 386.456 0.207 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1 ZINC000659478258 1187962992 /nfs/dbraw/zinc/96/29/92/1187962992.db2.gz BYHAWTQVYLDBMH-MRXNPFEDSA-N 1 3 386.456 0.207 20 0 GCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659565410 1187971701 /nfs/dbraw/zinc/97/17/01/1187971701.db2.gz IDGLKHHLPZOEHB-HXUWFJFHSA-N 1 3 386.544 0.983 20 0 GCADHO COCC[N@H+](C)CCCC1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659630429 1187978336 /nfs/dbraw/zinc/97/83/36/1187978336.db2.gz IBXRFCKKOXIQDT-UHFFFAOYSA-N 1 3 394.520 0.921 20 0 GCADHO COCC[N@@H+](C)CCCC1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659630429 1187978337 /nfs/dbraw/zinc/97/83/37/1187978337.db2.gz IBXRFCKKOXIQDT-UHFFFAOYSA-N 1 3 394.520 0.921 20 0 GCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659674369 1187994015 /nfs/dbraw/zinc/99/40/15/1187994015.db2.gz GOYLZEWOCRPBER-CYBMUJFWSA-N 1 3 392.504 0.274 20 0 GCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659674369 1187994018 /nfs/dbraw/zinc/99/40/18/1187994018.db2.gz GOYLZEWOCRPBER-CYBMUJFWSA-N 1 3 392.504 0.274 20 0 GCADHO C[NH+](C)C1(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCCCCC1 ZINC000659677267 1187995107 /nfs/dbraw/zinc/99/51/07/1187995107.db2.gz MYYFXKCAXMTYFG-UHFFFAOYSA-N 1 3 378.477 0.028 20 0 GCADHO [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCCC1 ZINC000659686994 1187997414 /nfs/dbraw/zinc/99/74/14/1187997414.db2.gz BKLCGZIUWPXRPQ-GOSISDBHSA-N 1 3 388.512 0.781 20 0 GCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000659698400 1187999599 /nfs/dbraw/zinc/99/95/99/1187999599.db2.gz NAPKCJRQDUCQAC-FUHWJXTLSA-N 1 3 375.517 0.206 20 0 GCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000659698731 1188003905 /nfs/dbraw/zinc/00/39/05/1188003905.db2.gz JDGOEBPXIBSQTL-SFHVURJKSA-N 1 3 389.544 0.738 20 0 GCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000659698729 1188004168 /nfs/dbraw/zinc/00/41/68/1188004168.db2.gz JDGOEBPXIBSQTL-GOSISDBHSA-N 1 3 389.544 0.738 20 0 GCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659727470 1188010387 /nfs/dbraw/zinc/01/03/87/1188010387.db2.gz GBVGWMCJZNDAGH-LJQANCHMSA-N 1 3 387.528 0.868 20 0 GCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000659728487 1188011530 /nfs/dbraw/zinc/01/15/30/1188011530.db2.gz JPSKSUZJJXMSGB-INIZCTEOSA-N 1 3 387.528 0.996 20 0 GCADHO C[NH2+]CC1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000659728108 1188012385 /nfs/dbraw/zinc/01/23/85/1188012385.db2.gz IIEDZMYKNDHDFF-UHFFFAOYSA-N 1 3 387.528 0.868 20 0 GCADHO O=C(NCCC1CC[NH2+]CC1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659728160 1188012807 /nfs/dbraw/zinc/01/28/07/1188012807.db2.gz VLVYCVGAEAKFOG-UHFFFAOYSA-N 1 3 387.528 0.916 20 0 GCADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC3CCN(Cc4ccncc4)CC3)C[C@@H]21 ZINC000659726932 1188013940 /nfs/dbraw/zinc/01/39/40/1188013940.db2.gz DDIUGAKOWSBUJV-SLFFLAALSA-N 1 3 399.539 0.996 20 0 GCADHO C[C@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@@H]1C[NH3+] ZINC000659729928 1188015203 /nfs/dbraw/zinc/01/52/03/1188015203.db2.gz QNSXWDNZNXMBEL-LPHOPBHVSA-N 1 3 387.528 0.853 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000659739413 1188018140 /nfs/dbraw/zinc/01/81/40/1188018140.db2.gz TYFMGLHTTUQSDP-QRQLOZEOSA-N 1 3 392.544 0.737 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000659740191 1188018578 /nfs/dbraw/zinc/01/85/78/1188018578.db2.gz FXGOULAVXQCUDY-WDSOQIARSA-N 1 3 394.560 0.968 20 0 GCADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCCNCC2)c1 ZINC000415314018 1188029623 /nfs/dbraw/zinc/02/96/23/1188029623.db2.gz FTUAUYWYOPYLFP-UHFFFAOYSA-N 1 3 389.500 0.519 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH2+]C)C3)cc2)CC1 ZINC000415395780 1188071011 /nfs/dbraw/zinc/07/10/11/1188071011.db2.gz OIYCSQJSBWTGJU-GOSISDBHSA-N 1 3 387.528 0.831 20 0 GCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000415430500 1188078729 /nfs/dbraw/zinc/07/87/29/1188078729.db2.gz RIFJKHAZUXCSFC-HNNXBMFYSA-N 1 3 377.489 0.983 20 0 GCADHO O=C(CNC(=O)CC1(N2CCOCC2)CCCC1)NCC[NH+]1CCCCC1 ZINC000909324052 1188080808 /nfs/dbraw/zinc/08/08/08/1188080808.db2.gz WDXAUZPSYCHCHR-UHFFFAOYSA-N 1 3 380.533 0.740 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@H]3C[NH2+]C)cc2)CC1 ZINC000415490417 1188090849 /nfs/dbraw/zinc/09/08/49/1188090849.db2.gz YJLGMPRXKBKORG-IBGZPJMESA-N 1 3 387.528 0.973 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@H]3C)cc2)CC1 ZINC000415517402 1188097319 /nfs/dbraw/zinc/09/73/19/1188097319.db2.gz HKKZNUDLVBKRBJ-AEFFLSMTSA-N 1 3 387.528 0.958 20 0 GCADHO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893011705 1188100059 /nfs/dbraw/zinc/10/00/59/1188100059.db2.gz MDNYKOLEISAPDG-GBESFXJTSA-N 1 3 380.533 0.870 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC000415582878 1188112901 /nfs/dbraw/zinc/11/29/01/1188112901.db2.gz VDDICZBAZBYIHJ-SJLPKXTDSA-N 1 3 387.528 0.958 20 0 GCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000472905951 1189372591 /nfs/dbraw/zinc/37/25/91/1189372591.db2.gz JKMSKVRLZLPATC-KRWDZBQOSA-N 1 3 396.580 0.254 20 0 GCADHO C[C@@H](NCCN1CC[NH2+]CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000584584672 1189593854 /nfs/dbraw/zinc/59/38/54/1189593854.db2.gz CEQZFZNXSNZLSL-MRXNPFEDSA-N 1 3 382.530 0.263 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)CC1 ZINC000416988279 1189604190 /nfs/dbraw/zinc/60/41/90/1189604190.db2.gz LBURIFGTYBJQPJ-FQEVSTJZSA-N 1 3 388.560 0.527 20 0 GCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000417037022 1189611826 /nfs/dbraw/zinc/61/18/26/1189611826.db2.gz TXIBNHCBONOOHW-LJQANCHMSA-N 1 3 387.528 0.931 20 0 GCADHO COCC1(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000417419358 1189660196 /nfs/dbraw/zinc/66/01/96/1189660196.db2.gz CUODTLJSWKABAM-MRXNPFEDSA-N 1 3 383.537 0.245 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417429268 1189662807 /nfs/dbraw/zinc/66/28/07/1189662807.db2.gz MSRUIIVKBYJUPB-ROUUACIJSA-N 1 3 379.549 0.960 20 0 GCADHO C[NH+](C)CCOc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000584793044 1189669533 /nfs/dbraw/zinc/66/95/33/1189669533.db2.gz GMMKLCCADFEAMQ-RDJZCZTQSA-N 1 3 375.473 0.080 20 0 GCADHO CN1CCN(CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1(C)C ZINC000418168645 1189730512 /nfs/dbraw/zinc/73/05/12/1189730512.db2.gz LQWABXGPGVFSRR-MRXNPFEDSA-N 1 3 382.553 0.042 20 0 GCADHO O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418304132 1189755404 /nfs/dbraw/zinc/75/54/04/1189755404.db2.gz XBMIKSWGLRTHFT-RBUKOAKNSA-N 1 3 375.517 0.074 20 0 GCADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000662755041 1190021163 /nfs/dbraw/zinc/02/11/63/1190021163.db2.gz CIUCOVLCVYBUDW-OTWHNJEPSA-N 1 3 387.528 0.806 20 0 GCADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419223892 1193722947 /nfs/dbraw/zinc/72/29/47/1193722947.db2.gz YWMPOGOFFGMSGZ-LPHOPBHVSA-N 1 3 388.512 0.639 20 0 GCADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419223892 1193722950 /nfs/dbraw/zinc/72/29/50/1193722950.db2.gz YWMPOGOFFGMSGZ-LPHOPBHVSA-N 1 3 388.512 0.639 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000419342706 1193834415 /nfs/dbraw/zinc/83/44/15/1193834415.db2.gz PXGNJUBKZDIXBY-QGZVFWFLSA-N 1 3 389.544 0.412 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000419345628 1193840036 /nfs/dbraw/zinc/84/00/36/1193840036.db2.gz UJQJSKLCMJDYDM-LJQANCHMSA-N 1 3 387.528 0.309 20 0 GCADHO CC[NH2+]CCNC(=O)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000419349551 1193844551 /nfs/dbraw/zinc/84/45/51/1193844551.db2.gz YUCMFKPNNBGXKA-UHFFFAOYSA-N 1 3 375.517 0.166 20 0 GCADHO CN1CC[NH+](CCCCNC(=O)N2CCC[C@@H](N3CCOCC3)CC2)CC1 ZINC000664176205 1193950796 /nfs/dbraw/zinc/95/07/96/1193950796.db2.gz SVSJBRAUYSVCOY-LJQANCHMSA-N 1 3 381.565 0.910 20 0 GCADHO [NH3+]C[C@H](NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000419419129 1194022312 /nfs/dbraw/zinc/02/23/12/1194022312.db2.gz LVRXITDGRPLVQI-IBGZPJMESA-N 1 3 387.528 0.164 20 0 GCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419421586 1194023240 /nfs/dbraw/zinc/02/32/40/1194023240.db2.gz LPQMNSGXYXHJDY-BPQIPLTHSA-N 1 3 380.533 0.722 20 0 GCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419420459 1194023328 /nfs/dbraw/zinc/02/33/28/1194023328.db2.gz NAPOKKONPBTGPU-PKOBYXMFSA-N 1 3 389.544 0.453 20 0 GCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419421591 1194023334 /nfs/dbraw/zinc/02/33/34/1194023334.db2.gz LPQMNSGXYXHJDY-NJAFHUGGSA-N 1 3 380.533 0.722 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419422190 1194024076 /nfs/dbraw/zinc/02/40/76/1194024076.db2.gz QGWGUTLITPFVSA-LJQANCHMSA-N 1 3 387.528 0.179 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419422187 1194024376 /nfs/dbraw/zinc/02/43/76/1194024376.db2.gz QGWGUTLITPFVSA-IBGZPJMESA-N 1 3 387.528 0.179 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000419421302 1194024753 /nfs/dbraw/zinc/02/47/53/1194024753.db2.gz OQIGSLAQRDQLJM-QRQLOZEOSA-N 1 3 387.528 0.287 20 0 GCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419427512 1194026932 /nfs/dbraw/zinc/02/69/32/1194026932.db2.gz ZBSIBXOAFLWOPK-SJLPKXTDSA-N 1 3 375.517 0.287 20 0 GCADHO C[C@@H]1C[C@@H](CCNC(=O)C(=O)NC[C@H]2CNCCO2)C[N@@H+]1Cc1ccccc1 ZINC000419468069 1194043160 /nfs/dbraw/zinc/04/31/60/1194043160.db2.gz AQFYSPXTAKRAER-BHIYHBOVSA-N 1 3 388.512 0.508 20 0 GCADHO C[C@@H]1C[C@@H](CCNC(=O)C(=O)NC[C@H]2CNCCO2)C[N@H+]1Cc1ccccc1 ZINC000419468069 1194043165 /nfs/dbraw/zinc/04/31/65/1194043165.db2.gz AQFYSPXTAKRAER-BHIYHBOVSA-N 1 3 388.512 0.508 20 0 GCADHO COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CCCNCC2)c1 ZINC000419510871 1194046905 /nfs/dbraw/zinc/04/69/05/1194046905.db2.gz WQBPKMAPQCCRLK-UHFFFAOYSA-N 1 3 392.500 0.082 20 0 GCADHO COCC[N@@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CCCNCC2)c1 ZINC000419510871 1194046911 /nfs/dbraw/zinc/04/69/11/1194046911.db2.gz WQBPKMAPQCCRLK-UHFFFAOYSA-N 1 3 392.500 0.082 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419507172 1194048462 /nfs/dbraw/zinc/04/84/62/1194048462.db2.gz OCUIHRBXHGWOPX-CGTJXYLNSA-N 1 3 388.512 0.854 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419507172 1194048466 /nfs/dbraw/zinc/04/84/66/1194048466.db2.gz OCUIHRBXHGWOPX-CGTJXYLNSA-N 1 3 388.512 0.854 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)NC[C@H](C)C[NH3+])CC2)c1 ZINC000419514627 1194051509 /nfs/dbraw/zinc/05/15/09/1194051509.db2.gz PDUCWKHCMLVIQQ-GOSISDBHSA-N 1 3 389.544 0.724 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)NCC(C)(C)[NH3+])CC2)c1 ZINC000419516857 1194052052 /nfs/dbraw/zinc/05/20/52/1194052052.db2.gz VFTIPEFCGGIODO-UHFFFAOYSA-N 1 3 389.544 0.867 20 0 GCADHO CC(C)(O)CCNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419536528 1194054895 /nfs/dbraw/zinc/05/48/95/1194054895.db2.gz FDMCSBGLTNRYGS-UHFFFAOYSA-N 1 3 376.501 0.373 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCSC1 ZINC000419577797 1194059743 /nfs/dbraw/zinc/05/97/43/1194059743.db2.gz FAEQBLLHQWXAPS-FCEWJHQRSA-N 1 3 394.516 0.632 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CCSC1 ZINC000419577734 1194059974 /nfs/dbraw/zinc/05/99/74/1194059974.db2.gz DWGLSLQSTUFILU-FCEWJHQRSA-N 1 3 398.573 0.285 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000419725636 1194088118 /nfs/dbraw/zinc/08/81/18/1194088118.db2.gz SQQJGPYXHXUDKB-MAUKXSAKSA-N 1 3 388.512 0.996 20 0 GCADHO NC1(CNC(=O)C(=O)NCCCOC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000419740748 1194094251 /nfs/dbraw/zinc/09/42/51/1194094251.db2.gz YABHJQYBKMKLPF-UHFFFAOYSA-N 1 3 398.454 0.842 20 0 GCADHO CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000419758530 1194099286 /nfs/dbraw/zinc/09/92/86/1194099286.db2.gz JQGBGFRPWPOROH-LJQANCHMSA-N 1 3 390.528 0.747 20 0 GCADHO NC[C@H](NC(=O)C(=O)NCC1CC[NH+](CCO)CC1)c1ccc2ccccc2c1 ZINC000419765892 1194101411 /nfs/dbraw/zinc/10/14/11/1194101411.db2.gz RHYCMBVHVUWJKG-FQEVSTJZSA-N 1 3 398.507 0.776 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000419854173 1194121496 /nfs/dbraw/zinc/12/14/96/1194121496.db2.gz BIGMBBFHHSGRFD-DAYGRLMNSA-N 1 3 380.533 0.578 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419860291 1194123391 /nfs/dbraw/zinc/12/33/91/1194123391.db2.gz BSXOWWBGGBWDNB-UHFFFAOYSA-N 1 3 393.507 0.127 20 0 GCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863710 1194125683 /nfs/dbraw/zinc/12/56/83/1194125683.db2.gz IBGFZKPUSUGMKU-IEBWSBKVSA-N 1 3 387.528 0.035 20 0 GCADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000419874176 1194129101 /nfs/dbraw/zinc/12/91/01/1194129101.db2.gz NHBVIPZOJSFBBN-WDSOQIARSA-N 1 3 386.496 0.564 20 0 GCADHO C[C@@H](NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419878241 1194130108 /nfs/dbraw/zinc/13/01/08/1194130108.db2.gz FZPYTLOIQQMANF-NTDBWNAOSA-N 1 3 394.560 0.839 20 0 GCADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000419908126 1194140870 /nfs/dbraw/zinc/14/08/70/1194140870.db2.gz YFESZVYUAHEDPP-RBUKOAKNSA-N 1 3 388.512 0.810 20 0 GCADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419907475 1194141538 /nfs/dbraw/zinc/14/15/38/1194141538.db2.gz GBJUMGXCKAVWED-IAGOWNOFSA-N 1 3 382.549 0.840 20 0 GCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419938354 1194145455 /nfs/dbraw/zinc/14/54/55/1194145455.db2.gz PJMNGZLZQFDBTF-JENIJYKNSA-N 1 3 394.560 0.983 20 0 GCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419980591 1194151905 /nfs/dbraw/zinc/15/19/05/1194151905.db2.gz RANAVTOFHPABOK-ROUUACIJSA-N 1 3 375.517 0.994 20 0 GCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419980583 1194151986 /nfs/dbraw/zinc/15/19/86/1194151986.db2.gz RAARNEXFXJOKRX-JZXOWHBKSA-N 1 3 382.549 0.824 20 0 GCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420027708 1194159471 /nfs/dbraw/zinc/15/94/71/1194159471.db2.gz DHSITTOJVJXOMP-WBVHZDCISA-N 1 3 398.548 0.565 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420041647 1194166971 /nfs/dbraw/zinc/16/69/71/1194166971.db2.gz PYNRTECQAODNMP-RHSMWYFYSA-N 1 3 394.491 0.945 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420044042 1194167212 /nfs/dbraw/zinc/16/72/12/1194167212.db2.gz OZLPTOVYWODBGB-UKBAYJJMSA-N 1 3 394.560 0.968 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000420133995 1194184062 /nfs/dbraw/zinc/18/40/62/1194184062.db2.gz DPILEYPXLWBUDG-IAGOWNOFSA-N 1 3 392.544 0.760 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420137259 1194184887 /nfs/dbraw/zinc/18/48/87/1194184887.db2.gz KQWQYXHLMZTILE-UHFFFAOYSA-N 1 3 380.439 0.891 20 0 GCADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420198994 1194202525 /nfs/dbraw/zinc/20/25/25/1194202525.db2.gz MYRIHKUXCMUVJN-RBUKOAKNSA-N 1 3 388.512 0.462 20 0 GCADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420198994 1194202529 /nfs/dbraw/zinc/20/25/29/1194202529.db2.gz MYRIHKUXCMUVJN-RBUKOAKNSA-N 1 3 388.512 0.462 20 0 GCADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420199049 1194203121 /nfs/dbraw/zinc/20/31/21/1194203121.db2.gz NAWVAADXUHIQDN-GOSISDBHSA-N 1 3 376.501 0.462 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@H]1CO ZINC000420200885 1194203497 /nfs/dbraw/zinc/20/34/97/1194203497.db2.gz GUHZWWRDEGKHAA-AEFFLSMTSA-N 1 3 388.512 0.183 20 0 GCADHO CCN1CCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000420202781 1194204086 /nfs/dbraw/zinc/20/40/86/1194204086.db2.gz JWDFJJVAZPZJCJ-UHFFFAOYSA-N 1 3 387.528 0.260 20 0 GCADHO CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1)CC1CC1 ZINC000420187764 1194206317 /nfs/dbraw/zinc/20/63/17/1194206317.db2.gz BXLRIFQAAVKNFQ-SFHVURJKSA-N 1 3 380.533 0.452 20 0 GCADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1)CC1CC1 ZINC000420187764 1194206319 /nfs/dbraw/zinc/20/63/19/1194206319.db2.gz BXLRIFQAAVKNFQ-SFHVURJKSA-N 1 3 380.533 0.452 20 0 GCADHO CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)[NH2+][C@H](C)c1ccccc1 ZINC000420187774 1194206468 /nfs/dbraw/zinc/20/64/68/1194206468.db2.gz BXYSYRYXAGWCJH-QRQLOZEOSA-N 1 3 390.528 0.973 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420223060 1194210076 /nfs/dbraw/zinc/21/00/76/1194210076.db2.gz UCWHDTRHRKGQHM-INIZCTEOSA-N 1 3 380.464 0.211 20 0 GCADHO C[C@@H]1COCCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420206789 1194211076 /nfs/dbraw/zinc/21/10/76/1194211076.db2.gz PRJJRXURKPGAMD-KRWDZBQOSA-N 1 3 388.512 0.591 20 0 GCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420208361 1194211682 /nfs/dbraw/zinc/21/16/82/1194211682.db2.gz XYZOXVXYLQJNDA-GOSISDBHSA-N 1 3 376.501 0.114 20 0 GCADHO CO[C@@H]1CCCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420212097 1194213647 /nfs/dbraw/zinc/21/36/47/1194213647.db2.gz WPRLIADYBPITNO-GOSISDBHSA-N 1 3 388.512 0.734 20 0 GCADHO C[C@]1(O)CCCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420213964 1194214104 /nfs/dbraw/zinc/21/41/04/1194214104.db2.gz ZLDUVLCFMHCMHZ-FQEVSTJZSA-N 1 3 388.512 0.470 20 0 GCADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000501648650 1194219212 /nfs/dbraw/zinc/21/92/12/1194219212.db2.gz YQJGKCDMNHAXSM-HKUYNNGSSA-N 1 3 392.544 0.690 20 0 GCADHO COCC[N@H+](C)CCCC1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000501807514 1194230800 /nfs/dbraw/zinc/23/08/00/1194230800.db2.gz XWKUPEDIJHYVRI-GOSISDBHSA-N 1 3 382.549 0.781 20 0 GCADHO COCC[N@@H+](C)CCCC1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000501807514 1194230803 /nfs/dbraw/zinc/23/08/03/1194230803.db2.gz XWKUPEDIJHYVRI-GOSISDBHSA-N 1 3 382.549 0.781 20 0 GCADHO C[C@H](CN1CCOCC1)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000273149975 1194543383 /nfs/dbraw/zinc/54/33/83/1194543383.db2.gz YRQAOYWRWRJVGI-GOSISDBHSA-N 1 3 375.517 0.678 20 0 GCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000422393651 1194634314 /nfs/dbraw/zinc/63/43/14/1194634314.db2.gz FLRRHXLYSVPVRO-INIZCTEOSA-N 1 3 377.489 0.191 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423093390 1194726905 /nfs/dbraw/zinc/72/69/05/1194726905.db2.gz HIBBCPZRIYJBSV-WBVHZDCISA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423101581 1194727381 /nfs/dbraw/zinc/72/73/81/1194727381.db2.gz WAOKPUOLJFSNRF-WMZOPIPTSA-N 1 3 376.476 0.926 20 0 GCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423163785 1194734419 /nfs/dbraw/zinc/73/44/19/1194734419.db2.gz NJAKHHFCKBOTBN-ROUUACIJSA-N 1 3 389.500 0.081 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423163776 1194734520 /nfs/dbraw/zinc/73/45/20/1194734520.db2.gz NICBUUWEXXDIQS-XUVXKRRUSA-N 1 3 399.539 0.962 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423163783 1194734697 /nfs/dbraw/zinc/73/46/97/1194734697.db2.gz NJAKHHFCKBOTBN-MSOLQXFVSA-N 1 3 389.500 0.081 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423166635 1194735169 /nfs/dbraw/zinc/73/51/69/1194735169.db2.gz RJOKXHMBGOWLKD-VAMGGRTRSA-N 1 3 399.539 0.962 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423170792 1194735525 /nfs/dbraw/zinc/73/55/25/1194735525.db2.gz YWMJBJQDTPLIGW-FQEVSTJZSA-N 1 3 376.476 0.928 20 0 GCADHO [NH3+]CCCOC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000423172318 1194735758 /nfs/dbraw/zinc/73/57/58/1194735758.db2.gz SEOADRAYDFCSHJ-QGZVFWFLSA-N 1 3 380.533 0.820 20 0 GCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423207138 1194736471 /nfs/dbraw/zinc/73/64/71/1194736471.db2.gz RELNPLBJLZPHAN-MRXNPFEDSA-N 1 3 382.892 0.416 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423209739 1194737139 /nfs/dbraw/zinc/73/71/39/1194737139.db2.gz VLLOMLDHNUWWMM-AWEZNQCLSA-N 1 3 384.427 0.041 20 0 GCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423211808 1194737634 /nfs/dbraw/zinc/73/76/34/1194737634.db2.gz ZAUJIYODPSIXTG-IYBDPMFKSA-N 1 3 378.904 0.908 20 0 GCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423361036 1194751357 /nfs/dbraw/zinc/75/13/57/1194751357.db2.gz GMIAZLLCTSVYES-INIZCTEOSA-N 1 3 393.557 0.144 20 0 GCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423371448 1194751944 /nfs/dbraw/zinc/75/19/44/1194751944.db2.gz QMPUFEMLBPQPDT-INIZCTEOSA-N 1 3 392.500 0.384 20 0 GCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)C(C)C ZINC000423418920 1194754058 /nfs/dbraw/zinc/75/40/58/1194754058.db2.gz VGNZOLVERYVQDQ-QGZVFWFLSA-N 1 3 393.536 0.478 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000423475192 1194758833 /nfs/dbraw/zinc/75/88/33/1194758833.db2.gz IOGNQFSISHYYEE-YJBOKZPZSA-N 1 3 376.501 0.781 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000423480313 1194759304 /nfs/dbraw/zinc/75/93/04/1194759304.db2.gz PGNTYOJYZIOMFB-QZTJIDSGSA-N 1 3 388.512 0.653 20 0 GCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423619011 1194774296 /nfs/dbraw/zinc/77/42/96/1194774296.db2.gz XYOAKYACZQHHSF-KRWDZBQOSA-N 1 3 393.557 0.144 20 0 GCADHO CO[C@H]1CCN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)[C@@H](C[NH3+])C1 ZINC000423628631 1194775390 /nfs/dbraw/zinc/77/53/90/1194775390.db2.gz AOJAIDOSNJXPAD-CVEARBPZSA-N 1 3 380.489 0.525 20 0 GCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423622290 1194777974 /nfs/dbraw/zinc/77/79/74/1194777974.db2.gz YUEXKHCNVURXBP-BQFCYCMXSA-N 1 3 380.533 0.545 20 0 GCADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424528246 1194819239 /nfs/dbraw/zinc/81/92/39/1194819239.db2.gz UCJPUFFOGQGERS-VQTJNVASSA-N 1 3 399.539 0.131 20 0 GCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424518236 1194821342 /nfs/dbraw/zinc/82/13/42/1194821342.db2.gz HOKWXSWDBYTMJA-MSOLQXFVSA-N 1 3 393.576 0.367 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000414811936 1194828819 /nfs/dbraw/zinc/82/88/19/1194828819.db2.gz QHQYEPVGUNJYOT-UHFFFAOYSA-N 1 3 389.500 0.357 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000664473474 1194896021 /nfs/dbraw/zinc/89/60/21/1194896021.db2.gz RNZSJLZSNDBGJO-SJORKVTESA-N 1 3 383.537 0.026 20 0 GCADHO COCCN(C)CCN1C[C@H](NC(=O)C2C[NH+](C3CCCCC3)C2)CC1=O ZINC000425327728 1194916625 /nfs/dbraw/zinc/91/66/25/1194916625.db2.gz ZXSHEWHZLRRMOH-QGZVFWFLSA-N 1 3 380.533 0.546 20 0 GCADHO COc1cccc(C[C@@H](N)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000638113291 1194942316 /nfs/dbraw/zinc/94/23/16/1194942316.db2.gz REGCVFAHFHQPML-GOSISDBHSA-N 1 3 376.501 0.624 20 0 GCADHO NC(=O)c1ccc(NC(=O)CCN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436052212 1194982311 /nfs/dbraw/zinc/98/23/11/1194982311.db2.gz CHCKTTLWNXPTOT-INIZCTEOSA-N 1 3 375.473 0.434 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000516139505 1195025418 /nfs/dbraw/zinc/02/54/18/1195025418.db2.gz BQTQHIFVUUCPOM-HNNXBMFYSA-N 1 3 380.493 0.162 20 0 GCADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](c2nnc[nH]2)C1 ZINC000425659649 1195053540 /nfs/dbraw/zinc/05/35/40/1195053540.db2.gz IPOLMYBFVDFQBV-INIZCTEOSA-N 1 3 384.488 0.911 20 0 GCADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425659649 1195053542 /nfs/dbraw/zinc/05/35/42/1195053542.db2.gz IPOLMYBFVDFQBV-INIZCTEOSA-N 1 3 384.488 0.911 20 0 GCADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000516750704 1195090008 /nfs/dbraw/zinc/09/00/08/1195090008.db2.gz FZRWOQFZCOAYFZ-OALUTQOASA-N 1 3 389.544 0.361 20 0 GCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000517254052 1195165079 /nfs/dbraw/zinc/16/50/79/1195165079.db2.gz WFCRMYHGVARIJC-INIZCTEOSA-N 1 3 382.549 0.935 20 0 GCADHO COC[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000438353488 1195211046 /nfs/dbraw/zinc/21/10/46/1195211046.db2.gz BRMNNRADOCIYAK-DZVNLGKHSA-N 1 3 382.549 0.979 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000550003149 1195227350 /nfs/dbraw/zinc/22/73/50/1195227350.db2.gz ZNIBAAHXNFQATP-UHFFFAOYSA-N 1 3 382.549 0.983 20 0 GCADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000414975452 1195277709 /nfs/dbraw/zinc/27/77/09/1195277709.db2.gz LRCLHQMGKPLTNT-PBHICJAKSA-N 1 3 387.484 0.410 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000518360320 1195282602 /nfs/dbraw/zinc/28/26/02/1195282602.db2.gz QMBCHBHGLVOYPM-SCTDSRPQSA-N 1 3 394.560 0.922 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CCC[C@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000518360322 1195282882 /nfs/dbraw/zinc/28/28/82/1195282882.db2.gz QMBCHBHGLVOYPM-ZIFCJYIRSA-N 1 3 394.560 0.922 20 0 GCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000414978939 1195284051 /nfs/dbraw/zinc/28/40/51/1195284051.db2.gz SVGRLJFOKKXXIU-QGZVFWFLSA-N 1 3 387.484 0.110 20 0 GCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000518408913 1195288653 /nfs/dbraw/zinc/28/86/53/1195288653.db2.gz XPEVXJKVHPSEGC-SFHVURJKSA-N 1 3 395.592 0.614 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(C)[nH]c1=O ZINC000439218418 1195296447 /nfs/dbraw/zinc/29/64/47/1195296447.db2.gz VKWAAAMASXUNKF-HNNXBMFYSA-N 1 3 377.489 0.909 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(C)[nH]c1=O ZINC000439218418 1195296451 /nfs/dbraw/zinc/29/64/51/1195296451.db2.gz VKWAAAMASXUNKF-HNNXBMFYSA-N 1 3 377.489 0.909 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C)cn(C)c1=O ZINC000439209057 1195296941 /nfs/dbraw/zinc/29/69/41/1195296941.db2.gz LMSWTAUZHFUXFT-INIZCTEOSA-N 1 3 391.516 0.507 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C)cn(C)c1=O ZINC000439209057 1195296944 /nfs/dbraw/zinc/29/69/44/1195296944.db2.gz LMSWTAUZHFUXFT-INIZCTEOSA-N 1 3 391.516 0.507 20 0 GCADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)cn1 ZINC000439969094 1195370663 /nfs/dbraw/zinc/37/06/63/1195370663.db2.gz HGWODBOTZCFSQV-KRWDZBQOSA-N 1 3 376.505 0.906 20 0 GCADHO COC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000519142908 1195372369 /nfs/dbraw/zinc/37/23/69/1195372369.db2.gz CQMZUFKYOBSOLX-KRWDZBQOSA-N 1 3 379.501 0.829 20 0 GCADHO C[NH+](C)C1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCOCC1 ZINC000507364056 1195514352 /nfs/dbraw/zinc/51/43/52/1195514352.db2.gz XUFUCYQYSAXIOE-UHFFFAOYSA-N 1 3 381.521 0.047 20 0 GCADHO CN1CCN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000519633198 1195560002 /nfs/dbraw/zinc/56/00/02/1195560002.db2.gz VQEISMHXCLESOE-UXHICEINSA-N 1 3 388.560 0.650 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)N1CCN(C)CC1 ZINC000550383558 1195651467 /nfs/dbraw/zinc/65/14/67/1195651467.db2.gz MIVOLAJOZNYYEU-OALUTQOASA-N 1 3 393.576 0.461 20 0 GCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672111194 1195745761 /nfs/dbraw/zinc/74/57/61/1195745761.db2.gz CNAJVCGGTCRVNC-DLBZAZTESA-N 1 3 395.548 0.036 20 0 GCADHO C[C@H]1CCC[C@@](CNC(=O)C(=O)NCCCCN2CCN(C)CC2)([NH+](C)C)C1 ZINC000520620627 1195804181 /nfs/dbraw/zinc/80/41/81/1195804181.db2.gz IIGBTZZDFJONRZ-GHTZIAJQSA-N 1 3 395.592 0.757 20 0 GCADHO CN1CCC(Oc2ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cn2)CC1 ZINC000441841885 1195923740 /nfs/dbraw/zinc/92/37/40/1195923740.db2.gz AOXRMMJHWACEES-UHFFFAOYSA-N 1 3 393.488 0.188 20 0 GCADHO CN(C)CCN1C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1=O ZINC000247516138 1196081461 /nfs/dbraw/zinc/08/14/61/1196081461.db2.gz NQMNONDIYLYDQZ-KBAYOESNSA-N 1 3 380.533 0.281 20 0 GCADHO C[C@@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[NH+]1CCC(C)CC1 ZINC000114592421 1196106101 /nfs/dbraw/zinc/10/61/01/1196106101.db2.gz RPAQQSPDYBLYGQ-IBGZPJMESA-N 1 3 383.581 0.796 20 0 GCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@]1(c2cnn(C)c2)CCCO1 ZINC000895666997 1196107320 /nfs/dbraw/zinc/10/73/20/1196107320.db2.gz VNRCZLOFQBLKBW-LPHOPBHVSA-N 1 3 380.537 0.997 20 0 GCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@]1(c2cnn(C)c2)CCCO1 ZINC000895666997 1196107322 /nfs/dbraw/zinc/10/73/22/1196107322.db2.gz VNRCZLOFQBLKBW-LPHOPBHVSA-N 1 3 380.537 0.997 20 0 GCADHO C[C@@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)CN1CCN(C)CC1 ZINC000446050315 1196610343 /nfs/dbraw/zinc/61/03/43/1196610343.db2.gz FTFMJLUVEUJQKK-KRWDZBQOSA-N 1 3 389.544 0.729 20 0 GCADHO CC1CC[NH+](C[C@H](O)CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000524619480 1196611282 /nfs/dbraw/zinc/61/12/82/1196611282.db2.gz UPIWPVYUVVTEQE-MSOLQXFVSA-N 1 3 397.564 0.321 20 0 GCADHO CN(C)C1(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)Cc2ccccc2C1 ZINC000446737051 1196665785 /nfs/dbraw/zinc/66/57/85/1196665785.db2.gz XYSGCZCWUGODII-UHFFFAOYSA-N 1 3 398.511 0.599 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000525882797 1196720585 /nfs/dbraw/zinc/72/05/85/1196720585.db2.gz GRPRCAZYWOLMNX-UHFFFAOYSA-N 1 3 390.488 0.107 20 0 GCADHO COC(=O)c1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1C ZINC000525882447 1196720913 /nfs/dbraw/zinc/72/09/13/1196720913.db2.gz WLWHTBFFNHQRGQ-UHFFFAOYSA-N 1 3 378.473 0.672 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000527124266 1196767490 /nfs/dbraw/zinc/76/74/90/1196767490.db2.gz OREBREYYPHWFGN-UHFFFAOYSA-N 1 3 389.500 0.704 20 0 GCADHO CNC(=O)c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000527373881 1196784373 /nfs/dbraw/zinc/78/43/73/1196784373.db2.gz VTUNVIDILYGSFR-UHFFFAOYSA-N 1 3 397.907 0.590 20 0 GCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCCN2CCN(CCO)CC2)[C@H](C)C1 ZINC000448519521 1196809638 /nfs/dbraw/zinc/80/96/38/1196809638.db2.gz DWNRGEBOOWIOKX-MOPGFXCFSA-N 1 3 383.581 0.748 20 0 GCADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCCCN2CCN(CCO)CC2)[C@H](C)C1 ZINC000448519521 1196809641 /nfs/dbraw/zinc/80/96/41/1196809641.db2.gz DWNRGEBOOWIOKX-MOPGFXCFSA-N 1 3 383.581 0.748 20 0 GCADHO O=C1C[C@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)CN1CCN1CCOCC1 ZINC000655730820 1197150586 /nfs/dbraw/zinc/15/05/86/1197150586.db2.gz UFNUMUPUYCLCCC-OALUTQOASA-N 1 3 380.533 0.153 20 0 GCADHO O=C1C[C@H](NC2CC[NH+](C[C@H]3CCCO3)CC2)CN1CCN1CCOCC1 ZINC000655730823 1197150650 /nfs/dbraw/zinc/15/06/50/1197150650.db2.gz UFNUMUPUYCLCCC-RBUKOAKNSA-N 1 3 380.533 0.153 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000177971504 1197192897 /nfs/dbraw/zinc/19/28/97/1197192897.db2.gz QCTGLPRBSIAKPJ-GOSISDBHSA-N 1 3 377.533 0.809 20 0 GCADHO CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000102812043 1197254810 /nfs/dbraw/zinc/25/48/10/1197254810.db2.gz DIOZOAHSQHHAIG-KRWDZBQOSA-N 1 3 389.544 0.871 20 0 GCADHO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@@H]3CN4CCN3CCC4)cc2)CC1 ZINC000536537844 1197355626 /nfs/dbraw/zinc/35/56/26/1197355626.db2.gz QZDCXXMKLLPRCU-FQEVSTJZSA-N 1 3 399.539 0.755 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3C(=O)NC3CC3)CC2)CC1 ZINC000127494066 1197361217 /nfs/dbraw/zinc/36/12/17/1197361217.db2.gz YQOLGLMBPKFRCU-GOSISDBHSA-N 1 3 377.533 0.998 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CCN1c1cc[nH+]cc1 ZINC000897474834 1197365669 /nfs/dbraw/zinc/36/56/69/1197365669.db2.gz CMJVLLCOWAUFEM-DNVCBOLYSA-N 1 3 391.541 0.672 20 0 GCADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000419197693 1197413168 /nfs/dbraw/zinc/41/31/68/1197413168.db2.gz YFJSNIKEYFJCDR-LJQANCHMSA-N 1 3 388.512 0.639 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCCN2CCN(C)CC2)CC1=O ZINC000247113722 1197476454 /nfs/dbraw/zinc/47/64/54/1197476454.db2.gz VVPRRYJVPAYTSO-RBUKOAKNSA-N 1 3 393.576 0.415 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCCN2CCN(C)CC2)CC1=O ZINC000247113722 1197476455 /nfs/dbraw/zinc/47/64/55/1197476455.db2.gz VVPRRYJVPAYTSO-RBUKOAKNSA-N 1 3 393.576 0.415 20 0 GCADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3[nH]nc4c3CNCC4)c2)C1 ZINC000262794822 1197537581 /nfs/dbraw/zinc/53/75/81/1197537581.db2.gz PANKVCYJLYHXCG-INIZCTEOSA-N 1 3 396.495 0.683 20 0 GCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3[nH]nc4c3CNCC4)c2)C1 ZINC000262794822 1197537584 /nfs/dbraw/zinc/53/75/84/1197537584.db2.gz PANKVCYJLYHXCG-INIZCTEOSA-N 1 3 396.495 0.683 20 0 GCADHO Cc1cc(CNC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)n[nH]1 ZINC000672001815 1198994596 /nfs/dbraw/zinc/99/45/96/1198994596.db2.gz KREWRWINBDDZQK-UHFFFAOYSA-N 1 3 385.472 0.058 20 0 GCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672111195 1199110425 /nfs/dbraw/zinc/11/04/25/1199110425.db2.gz CNAJVCGGTCRVNC-IAGOWNOFSA-N 1 3 395.548 0.036 20 0 GCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672204345 1199159731 /nfs/dbraw/zinc/15/97/31/1199159731.db2.gz LPDQRVYMKYARFI-ROUUACIJSA-N 1 3 379.549 0.215 20 0 GCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672204345 1199159734 /nfs/dbraw/zinc/15/97/34/1199159734.db2.gz LPDQRVYMKYARFI-ROUUACIJSA-N 1 3 379.549 0.215 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCN(C)CC1 ZINC000656288362 1199161174 /nfs/dbraw/zinc/16/11/74/1199161174.db2.gz AYHQHYLJZHJBDR-QYZOEREBSA-N 1 3 393.576 0.508 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCN(C)CC1 ZINC000656288362 1199161178 /nfs/dbraw/zinc/16/11/78/1199161178.db2.gz AYHQHYLJZHJBDR-QYZOEREBSA-N 1 3 393.576 0.508 20 0 GCADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000465926067 1199184079 /nfs/dbraw/zinc/18/40/79/1199184079.db2.gz HFSBOLYQNNQZFL-RTBURBONSA-N 1 3 381.565 0.645 20 0 GCADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000465926067 1199184083 /nfs/dbraw/zinc/18/40/83/1199184083.db2.gz HFSBOLYQNNQZFL-RTBURBONSA-N 1 3 381.565 0.645 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465927855 1199185120 /nfs/dbraw/zinc/18/51/20/1199185120.db2.gz QEJRCGUIUADWTG-HXUWFJFHSA-N 1 3 395.592 0.940 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465927855 1199185124 /nfs/dbraw/zinc/18/51/24/1199185124.db2.gz QEJRCGUIUADWTG-HXUWFJFHSA-N 1 3 395.592 0.940 20 0 GCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000672304023 1199198317 /nfs/dbraw/zinc/19/83/17/1199198317.db2.gz FFHPXFAGRZURBL-SJLPKXTDSA-N 1 3 378.517 0.204 20 0 GCADHO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)ccn1 ZINC000672310781 1199202614 /nfs/dbraw/zinc/20/26/14/1199202614.db2.gz HXUBXXSLMQJINU-KRWDZBQOSA-N 1 3 389.500 0.239 20 0 GCADHO CN(C)CCN(Cc1ccccn1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465946885 1199211947 /nfs/dbraw/zinc/21/19/47/1199211947.db2.gz GTEWXSOIYRMKTQ-KRWDZBQOSA-N 1 3 390.532 0.742 20 0 GCADHO CN(C)CCN(Cc1ccccn1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465946885 1199211949 /nfs/dbraw/zinc/21/19/49/1199211949.db2.gz GTEWXSOIYRMKTQ-KRWDZBQOSA-N 1 3 390.532 0.742 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465949025 1199216844 /nfs/dbraw/zinc/21/68/44/1199216844.db2.gz MMTBYZIKMJUUKH-IAGOWNOFSA-N 1 3 383.537 0.326 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465949025 1199216846 /nfs/dbraw/zinc/21/68/46/1199216846.db2.gz MMTBYZIKMJUUKH-IAGOWNOFSA-N 1 3 383.537 0.326 20 0 GCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000465952342 1199217497 /nfs/dbraw/zinc/21/74/97/1199217497.db2.gz OJMPMUNLGJJFFS-SFHVURJKSA-N 1 3 395.548 0.328 20 0 GCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000465952342 1199217502 /nfs/dbraw/zinc/21/75/02/1199217502.db2.gz OJMPMUNLGJJFFS-SFHVURJKSA-N 1 3 395.548 0.328 20 0 GCADHO CCN1C[C@H](C)N(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC000672639981 1199295510 /nfs/dbraw/zinc/29/55/10/1199295510.db2.gz QNGOXGDOOBQMNR-IKGGRYGDSA-N 1 3 379.549 0.212 20 0 GCADHO CCN1C[C@H](C)N(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC000672639981 1199295512 /nfs/dbraw/zinc/29/55/12/1199295512.db2.gz QNGOXGDOOBQMNR-IKGGRYGDSA-N 1 3 379.549 0.212 20 0 GCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000672693404 1199317672 /nfs/dbraw/zinc/31/76/72/1199317672.db2.gz VYMXQSZBZNFULY-NZSAHSFTSA-N 1 3 394.560 0.861 20 0 GCADHO C[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)CN1CCN(C)CC1 ZINC000466001433 1199334397 /nfs/dbraw/zinc/33/43/97/1199334397.db2.gz XDXCMHICZPWJDI-MSOLQXFVSA-N 1 3 381.565 0.670 20 0 GCADHO COC1CC[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000673158387 1199460367 /nfs/dbraw/zinc/46/03/67/1199460367.db2.gz JZAKOXSILPPWGB-ALOPSCKCSA-N 1 3 395.548 0.480 20 0 GCADHO COC(CNC(=O)CN1[C@H](C)CC[C@H]1C)CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000543328408 1199657963 /nfs/dbraw/zinc/65/79/63/1199657963.db2.gz IOVSVVPZIVHVAT-QBPKDAKJSA-N 1 3 382.549 0.979 20 0 GCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673583540 1199829428 /nfs/dbraw/zinc/82/94/28/1199829428.db2.gz AJAJAUINNYGVAF-NJAFHUGGSA-N 1 3 380.533 0.471 20 0 GCADHO C[NH+](C)CCn1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000173954237 1200379647 /nfs/dbraw/zinc/37/96/47/1200379647.db2.gz PHCHFPYZHWHLFH-UHFFFAOYSA-N 1 3 377.493 0.217 20 0 GCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccco1 ZINC000670525877 1200402850 /nfs/dbraw/zinc/40/28/50/1200402850.db2.gz JRBOOOWJJALAOF-DOTOQJQBSA-N 1 3 391.516 0.283 20 0 GCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccco1 ZINC000670525877 1200402852 /nfs/dbraw/zinc/40/28/52/1200402852.db2.gz JRBOOOWJJALAOF-DOTOQJQBSA-N 1 3 391.516 0.283 20 0 GCADHO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCCN(C(C)(C)C)CC3)n2)CC1 ZINC000584875562 1200672416 /nfs/dbraw/zinc/67/24/16/1200672416.db2.gz JYVCOXAFAGSICG-UHFFFAOYSA-N 1 3 390.532 1.421 20 0 GCADHO C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369483798 1200686729 /nfs/dbraw/zinc/68/67/29/1200686729.db2.gz JUKMLMQFFWIJSM-HNNXBMFYSA-N 1 3 376.505 0.936 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(NC)nc1 ZINC000415124109 1200898422 /nfs/dbraw/zinc/89/84/22/1200898422.db2.gz NUONLYDTLSIDPI-INIZCTEOSA-N 1 3 376.505 0.936 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(NC)nc1 ZINC000415124109 1200898432 /nfs/dbraw/zinc/89/84/32/1200898432.db2.gz NUONLYDTLSIDPI-INIZCTEOSA-N 1 3 376.505 0.936 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3cc(=O)n4nccc4[nH]3)C2)CC[N@@H+]1C ZINC001082522330 1201337097 /nfs/dbraw/zinc/33/70/97/1201337097.db2.gz AXSCGVZAOCKDOX-XLNGHYISSA-N 1 3 386.500 0.689 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3cc(=O)n4nccc4[nH]3)C2)CC[N@H+]1C ZINC001082522330 1201337103 /nfs/dbraw/zinc/33/71/03/1201337103.db2.gz AXSCGVZAOCKDOX-XLNGHYISSA-N 1 3 386.500 0.689 20 0 GCADHO CN1CCN(C(C)(C)CNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734268027 1201648790 /nfs/dbraw/zinc/64/87/90/1201648790.db2.gz UTALSJRHNKDBBD-SFHVURJKSA-N 1 3 381.565 0.955 20 0 GCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741415836 1201778709 /nfs/dbraw/zinc/77/87/09/1201778709.db2.gz XSLGKMJNYHBLKO-SBHAEUEKSA-N 1 3 388.512 0.786 20 0 GCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741415836 1201778717 /nfs/dbraw/zinc/77/87/17/1201778717.db2.gz XSLGKMJNYHBLKO-SBHAEUEKSA-N 1 3 388.512 0.786 20 0 GCADHO COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1-n1nc(CC[NH3+])nc1C ZINC001168986398 1201930334 /nfs/dbraw/zinc/93/03/34/1201930334.db2.gz ZQJWEUBRURSYMV-CQSZACIVSA-N 1 3 390.488 0.578 20 0 GCADHO CCOC(=O)[C@H]1CC[C@H](N2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CO1 ZINC001169389899 1201944909 /nfs/dbraw/zinc/94/49/09/1201944909.db2.gz UCVQSQVSMVVOLN-PKOBYXMFSA-N 1 3 391.512 0.921 20 0 GCADHO CCOC(=O)[C@@H]1CC[C@@H](N2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CO1 ZINC001169389897 1201945001 /nfs/dbraw/zinc/94/50/01/1201945001.db2.gz UCVQSQVSMVVOLN-MJGOQNOKSA-N 1 3 391.512 0.921 20 0 GCADHO CN(C)CCN1CCN(C)C2(CC[NH+]([C@H]3CCCC4(C3)OCCO4)CC2)C1=O ZINC001169945717 1201959974 /nfs/dbraw/zinc/95/99/74/1201959974.db2.gz MZCDPBMZSQPUKS-SFHVURJKSA-N 1 3 394.560 0.842 20 0 GCADHO C[C@@H]1CN(CCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000767612675 1201979489 /nfs/dbraw/zinc/97/94/89/1201979489.db2.gz QUIPDUUIBDOUPD-APWZRJJASA-N 1 3 380.558 0.834 20 0 GCADHO C[C@@H]1CN(C(=O)COCCOCC(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)[C@H](C)CN1C ZINC000769147294 1202048081 /nfs/dbraw/zinc/04/80/81/1202048081.db2.gz WYCOXLXPAVHMAZ-XMTFNYHQSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1CN(C(=O)COCCOCC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)[C@H](C)CN1C ZINC000769147294 1202048084 /nfs/dbraw/zinc/04/80/84/1202048084.db2.gz WYCOXLXPAVHMAZ-XMTFNYHQSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)COCCOCC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000769147294 1202048086 /nfs/dbraw/zinc/04/80/86/1202048086.db2.gz WYCOXLXPAVHMAZ-XMTFNYHQSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)COCCOCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000769147294 1202048088 /nfs/dbraw/zinc/04/80/88/1202048088.db2.gz WYCOXLXPAVHMAZ-XMTFNYHQSA-N 1 3 398.548 0.122 20 0 GCADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[NH+]1CCC(C)CC1 ZINC000787613628 1205395187 /nfs/dbraw/zinc/39/51/87/1205395187.db2.gz AUOLLPGTNADBRJ-GUDVDZBRSA-N 1 3 394.560 0.839 20 0 GCADHO N=C(N)N(c1ccc(N2CCOCC2)cc1)c1ccnc(N2CC[NH2+]CC2)n1 ZINC001170161228 1205482223 /nfs/dbraw/zinc/48/22/23/1205482223.db2.gz FIVMLZCGWAVUPT-UHFFFAOYSA-N 1 3 382.472 0.754 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)N1CCCCC1 ZINC000793728561 1205503539 /nfs/dbraw/zinc/50/35/39/1205503539.db2.gz VLMSRWKVFAEUIM-SFHVURJKSA-N 1 3 393.576 0.463 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N1CCCCC1 ZINC000793702053 1205504257 /nfs/dbraw/zinc/50/42/57/1205504257.db2.gz RXPSMYCTYWTJPA-MSOLQXFVSA-N 1 3 379.549 0.215 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)N1CCCCC1 ZINC000793702053 1205504258 /nfs/dbraw/zinc/50/42/58/1205504258.db2.gz RXPSMYCTYWTJPA-MSOLQXFVSA-N 1 3 379.549 0.215 20 0 GCADHO C[C@H](CNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)N1CCCCC1 ZINC000793700214 1205504309 /nfs/dbraw/zinc/50/43/09/1205504309.db2.gz MKEOJKUPKFKQHQ-MRXNPFEDSA-N 1 3 391.516 0.629 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N1CCCCC1 ZINC000793705573 1205504657 /nfs/dbraw/zinc/50/46/57/1205504657.db2.gz FJXHWSKPTBRHRF-QYZOEREBSA-N 1 3 393.576 0.461 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCCOC3CCC3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129849921 1205520939 /nfs/dbraw/zinc/52/09/39/1205520939.db2.gz BRZYWVVFRNJSDJ-MANSERQUSA-N 1 3 390.532 0.919 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCCOC3CCC3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129849921 1205520940 /nfs/dbraw/zinc/52/09/40/1205520940.db2.gz BRZYWVVFRNJSDJ-MANSERQUSA-N 1 3 390.532 0.919 20 0 GCADHO CCCCOCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129857840 1205521233 /nfs/dbraw/zinc/52/12/33/1205521233.db2.gz HCXGQFHYDPLHPR-TVFCKZIOSA-N 1 3 378.521 0.777 20 0 GCADHO CCCCOCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129857840 1205521236 /nfs/dbraw/zinc/52/12/36/1205521236.db2.gz HCXGQFHYDPLHPR-TVFCKZIOSA-N 1 3 378.521 0.777 20 0 GCADHO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000806239417 1205552540 /nfs/dbraw/zinc/55/25/40/1205552540.db2.gz PHEBGZAUCVAFSD-KRWDZBQOSA-N 1 3 376.505 0.230 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCCCC1 ZINC000808344762 1205605736 /nfs/dbraw/zinc/60/57/36/1205605736.db2.gz WYBAHHUSZVKREK-BPQIPLTHSA-N 1 3 380.533 0.471 20 0 GCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170774670 1205697230 /nfs/dbraw/zinc/69/72/30/1205697230.db2.gz MMYRABWLWJHGRH-BPUTZDHNSA-N 1 3 380.489 0.179 20 0 GCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170774671 1205697298 /nfs/dbraw/zinc/69/72/98/1205697298.db2.gz MMYRABWLWJHGRH-CWRNSKLLSA-N 1 3 380.489 0.179 20 0 GCADHO CN(C)CCN1CCN(C)C2(CC[NH+]([C@H]3CCN(C4CC4)C(=O)C3)CC2)C1=O ZINC001172017708 1205711685 /nfs/dbraw/zinc/71/16/85/1205711685.db2.gz YTRUBSGOGBZRRI-SFHVURJKSA-N 1 3 391.560 0.310 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cc[nH]n2)[C@H](O)OC(C)(C)C)C1 ZINC001175762213 1205741069 /nfs/dbraw/zinc/74/10/69/1205741069.db2.gz QIMDXQZJMQBGQJ-LZDZAVHKSA-N 1 3 397.520 0.248 20 0 GCADHO CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N(CCCC[NH3+])C(=N)N)=NO2)C1 ZINC001179209806 1205804973 /nfs/dbraw/zinc/80/49/73/1205804973.db2.gz WNRQBWAKBHLGCW-QGZVFWFLSA-N 1 3 382.465 0.603 20 0 GCADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001180609377 1205828297 /nfs/dbraw/zinc/82/82/97/1205828297.db2.gz UKZBNVJLHAWLCV-UHFFFAOYSA-N 1 3 390.532 0.722 20 0 GCADHO C[C@H](O)CC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001181356009 1205842563 /nfs/dbraw/zinc/84/25/63/1205842563.db2.gz IUVRTGNRQSIAQH-OCKGCPIVSA-N 1 3 375.510 0.053 20 0 GCADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001181996357 1205852792 /nfs/dbraw/zinc/85/27/92/1205852792.db2.gz PKZNKIOQOQSCQA-SFHVURJKSA-N 1 3 393.576 0.558 20 0 GCADHO CN1CCC(O)(C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)CC1 ZINC001182031525 1205853890 /nfs/dbraw/zinc/85/38/90/1205853890.db2.gz NPEAITMQMCYKER-UHFFFAOYSA-N 1 3 385.472 0.156 20 0 GCADHO CCOC(=O)C1CC[NH+](C2CCN(C(=O)C3(O)CCN(C)CC3)CC2)CC1 ZINC001182031095 1205853945 /nfs/dbraw/zinc/85/39/45/1205853945.db2.gz LQKDCOBQPYKWLV-UHFFFAOYSA-N 1 3 381.517 0.709 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001187742747 1205968335 /nfs/dbraw/zinc/96/83/35/1205968335.db2.gz VOJRBOZJXDPCFD-ACMLMGIUSA-N 1 3 383.493 0.319 20 0 GCADHO Cc1n[nH]cc1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001188061584 1205974967 /nfs/dbraw/zinc/97/49/67/1205974967.db2.gz IZIPQQGXVYVYJH-XEQYVGRISA-N 1 3 397.520 0.627 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ccc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001188582732 1205988101 /nfs/dbraw/zinc/98/81/01/1205988101.db2.gz XFUIWFIIIFEWBE-VLGRORTASA-N 1 3 382.505 0.924 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001189552653 1206009604 /nfs/dbraw/zinc/00/96/04/1206009604.db2.gz VDFJYVVWBSFYHP-PAQTWDICSA-N 1 3 399.492 0.025 20 0 GCADHO O=C1NCCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C12CNC2 ZINC001164413101 718879480 /nfs/dbraw/zinc/87/94/80/718879480.db2.gz BBVPKGCGFWGLLD-UHFFFAOYSA-N 1 3 383.830 0.935 20 0 GCADHO CNC(=O)CN1CCCC12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164689836 719742500 /nfs/dbraw/zinc/74/25/00/719742500.db2.gz LGVCCVOLQZHOEN-UHFFFAOYSA-N 1 3 388.516 0.788 20 0 GCADHO c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncc1N1CC[NH2+]CC1 ZINC001164737768 720738650 /nfs/dbraw/zinc/73/86/50/720738650.db2.gz CQNKYZCTCRIWHV-MSOLQXFVSA-N 1 3 381.484 0.623 20 0 GCADHO CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889747 721391151 /nfs/dbraw/zinc/39/11/51/721391151.db2.gz MAAUJZRDXAFCHD-RXVVDRJESA-N 1 3 386.544 0.888 20 0 GCADHO Cc1cc(NC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571272351 945660532 /nfs/dbraw/zinc/66/05/32/945660532.db2.gz SOAMJDFSSAJGOH-KRWDZBQOSA-N 1 3 386.504 0.981 20 0 GCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)C2)C1 ZINC001571282697 945859541 /nfs/dbraw/zinc/85/95/41/945859541.db2.gz NXCNATIMBCQGDZ-DZGCQCFKSA-N 1 3 387.463 0.896 20 0 GCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)C2)C1 ZINC001571282697 945859551 /nfs/dbraw/zinc/85/95/51/945859551.db2.gz NXCNATIMBCQGDZ-DZGCQCFKSA-N 1 3 387.463 0.896 20 0 GCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711823 949557713 /nfs/dbraw/zinc/55/77/13/949557713.db2.gz MRENOUYMJBLSBO-CHWSQXEVSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711823 949557727 /nfs/dbraw/zinc/55/77/27/949557727.db2.gz MRENOUYMJBLSBO-CHWSQXEVSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575080710 951715041 /nfs/dbraw/zinc/71/50/41/951715041.db2.gz NDCZKKFJZIAWRB-OLZOCXBDSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575080710 951715047 /nfs/dbraw/zinc/71/50/47/951715047.db2.gz NDCZKKFJZIAWRB-OLZOCXBDSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575080710 951715054 /nfs/dbraw/zinc/71/50/54/951715054.db2.gz NDCZKKFJZIAWRB-OLZOCXBDSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575080710 951715058 /nfs/dbraw/zinc/71/50/58/951715058.db2.gz NDCZKKFJZIAWRB-OLZOCXBDSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081709 951726350 /nfs/dbraw/zinc/72/63/50/951726350.db2.gz RTKFHYBAXPIOQW-TZMCWYRMSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081709 951726355 /nfs/dbraw/zinc/72/63/55/951726355.db2.gz RTKFHYBAXPIOQW-TZMCWYRMSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081709 951726361 /nfs/dbraw/zinc/72/63/61/951726361.db2.gz RTKFHYBAXPIOQW-TZMCWYRMSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081709 951726365 /nfs/dbraw/zinc/72/63/65/951726365.db2.gz RTKFHYBAXPIOQW-TZMCWYRMSA-N 1 3 375.452 0.799 20 0 GCADHO Cc1cc(N2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212542 953089757 /nfs/dbraw/zinc/08/97/57/953089757.db2.gz NCBRYYYEFHLTCH-AWEZNQCLSA-N 1 3 382.472 0.893 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000130615458 531071395 /nfs/dbraw/zinc/07/13/95/531071395.db2.gz PDGBJAMFSCNRJI-UHFFFAOYSA-N 1 3 386.294 0.734 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CCSC1 ZINC000884612283 641787006 /nfs/dbraw/zinc/78/70/06/641787006.db2.gz IRRLCNKVXQEFBG-WDMOLILDSA-N 1 3 382.452 0.136 20 0 GCADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000652351021 1192202206 /nfs/dbraw/zinc/20/22/06/1192202206.db2.gz GBTDWIFOXKXAFJ-LPHOPBHVSA-N 1 3 394.541 0.444 20 0 GCADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000652351021 1192202211 /nfs/dbraw/zinc/20/22/11/1192202211.db2.gz GBTDWIFOXKXAFJ-LPHOPBHVSA-N 1 3 394.541 0.444 20 0 GCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652468718 1192229206 /nfs/dbraw/zinc/22/92/06/1192229206.db2.gz PERMFLGEDGQZTF-SFHVURJKSA-N 1 3 382.549 0.890 20 0 GCADHO O=C(NCCN1CC[C@@H](O)C1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000636732576 1192291645 /nfs/dbraw/zinc/29/16/45/1192291645.db2.gz JBYZSCKYLJGGLN-LJQANCHMSA-N 1 3 376.501 0.509 20 0 GCADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662577115 1192313664 /nfs/dbraw/zinc/31/36/64/1192313664.db2.gz DHCVFVQLTMJKDM-GBESFXJTSA-N 1 3 383.496 0.968 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@](C)(C(F)F)O1 ZINC000663537328 1192377583 /nfs/dbraw/zinc/37/75/83/1192377583.db2.gz GTOVDAUXAIJTBZ-GUYCJALGSA-N 1 3 378.464 0.209 20 0 GCADHO CN(CCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)C1CC1 ZINC000606093031 1192441832 /nfs/dbraw/zinc/44/18/32/1192441832.db2.gz LCYAUDULXWEQPG-UHFFFAOYSA-N 1 3 375.473 0.726 20 0 GCADHO C[NH+](C)[C@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C[C@@H]1O ZINC000663646680 1192447336 /nfs/dbraw/zinc/44/73/36/1192447336.db2.gz OLFCBJROWJSVDZ-PMACEKPBSA-N 1 3 389.544 0.511 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)N1CCC(C)CC1 ZINC000652677882 1192475939 /nfs/dbraw/zinc/47/59/39/1192475939.db2.gz KZJMRYQJAPUXAJ-FCGDIQPGSA-N 1 3 394.560 0.968 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623397 1192621494 /nfs/dbraw/zinc/62/14/94/1192621494.db2.gz XCJRKHKYCQGAPV-GJZGRUSLSA-N 1 3 395.470 0.575 20 0 GCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418752485 1192639933 /nfs/dbraw/zinc/63/99/33/1192639933.db2.gz BVVBSQOKNXBVLH-OTWHNJEPSA-N 1 3 375.517 0.072 20 0 GCADHO NC1(CNC(=O)C(=O)NCCOCC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000418811688 1192652357 /nfs/dbraw/zinc/65/23/57/1192652357.db2.gz WAEKZMBMWLNRRG-UHFFFAOYSA-N 1 3 388.512 0.639 20 0 GCADHO CC(C)(CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N1CCCCC1 ZINC000418846559 1192665047 /nfs/dbraw/zinc/66/50/47/1192665047.db2.gz YKRZDRWVFAQZCZ-INIZCTEOSA-N 1 3 395.548 0.213 20 0 GCADHO NC1(CNC(=O)C(=O)N[C@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000418855499 1192668372 /nfs/dbraw/zinc/66/83/72/1192668372.db2.gz DSHDAXUUFDIDEK-INIZCTEOSA-N 1 3 376.526 0.718 20 0 GCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418862297 1192671082 /nfs/dbraw/zinc/67/10/82/1192671082.db2.gz AMOXVJXUVSYBRM-IVSAIRAKSA-N 1 3 380.533 0.985 20 0 GCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000418862297 1192671084 /nfs/dbraw/zinc/67/10/84/1192671084.db2.gz AMOXVJXUVSYBRM-IVSAIRAKSA-N 1 3 380.533 0.985 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)[C@@H](C[NH3+])C1 ZINC000418877408 1192674623 /nfs/dbraw/zinc/67/46/23/1192674623.db2.gz ORUSLGDLFOCOJC-RCCFBDPRSA-N 1 3 376.501 0.240 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)N(C)Cc1ccccc1 ZINC000418944038 1192696621 /nfs/dbraw/zinc/69/66/21/1192696621.db2.gz JKWUPQQBJRNPOI-KRWDZBQOSA-N 1 3 390.528 0.980 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000418960959 1192702527 /nfs/dbraw/zinc/70/25/27/1192702527.db2.gz JJFDJIMADNZEOC-KBAYOESNSA-N 1 3 376.501 0.588 20 0 GCADHO C[C@H]1CC[C@H](CNC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)O1 ZINC000419002291 1192713705 /nfs/dbraw/zinc/71/37/05/1192713705.db2.gz ZHYDDTLXHOBHBP-FUHWJXTLSA-N 1 3 388.512 0.780 20 0 GCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419030161 1192729220 /nfs/dbraw/zinc/72/92/20/1192729220.db2.gz SPMHZLATADCCRH-BRWVUGGUSA-N 1 3 395.548 0.069 20 0 GCADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419032558 1192733051 /nfs/dbraw/zinc/73/30/51/1192733051.db2.gz WAWMOEVTWLCLSA-RHSMWYFYSA-N 1 3 376.501 0.984 20 0 GCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419032558 1192733054 /nfs/dbraw/zinc/73/30/54/1192733054.db2.gz WAWMOEVTWLCLSA-RHSMWYFYSA-N 1 3 376.501 0.984 20 0 GCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)CCCO1 ZINC000419039865 1192737401 /nfs/dbraw/zinc/73/74/01/1192737401.db2.gz VVJNMNAOOFKMBE-INIZCTEOSA-N 1 3 398.573 0.431 20 0 GCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2)C1 ZINC000652688047 1192756265 /nfs/dbraw/zinc/75/62/65/1192756265.db2.gz UJGIQWXWPIXYPT-MLHJIOFPSA-N 1 3 378.517 0.332 20 0 GCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419077773 1192776090 /nfs/dbraw/zinc/77/60/90/1192776090.db2.gz JRUABXYVGFMGES-IAGOWNOFSA-N 1 3 391.520 0.281 20 0 GCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419077773 1192776095 /nfs/dbraw/zinc/77/60/95/1192776095.db2.gz JRUABXYVGFMGES-IAGOWNOFSA-N 1 3 391.520 0.281 20 0 GCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000419081723 1192777998 /nfs/dbraw/zinc/77/79/98/1192777998.db2.gz ORMMYZGVOMYHIR-MSOLQXFVSA-N 1 3 392.500 0.380 20 0 GCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419084445 1192779275 /nfs/dbraw/zinc/77/92/75/1192779275.db2.gz YNZMYEABDALBLB-IAGOWNOFSA-N 1 3 395.548 0.213 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000669274128 1192799840 /nfs/dbraw/zinc/79/98/40/1192799840.db2.gz MJXPEAFZQCCYDO-WDSOQIARSA-N 1 3 394.560 0.717 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)N1CCC(C)CC1 ZINC000419160343 1192818255 /nfs/dbraw/zinc/81/82/55/1192818255.db2.gz PSPYZJOGRIMVPY-NZSAHSFTSA-N 1 3 394.560 0.968 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)N1CCC(C)CC1 ZINC000419160342 1192818446 /nfs/dbraw/zinc/81/84/46/1192818446.db2.gz PSPYZJOGRIMVPY-NEWSRXKRSA-N 1 3 394.560 0.968 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)N1CCC(C)CC1 ZINC000419160341 1192818692 /nfs/dbraw/zinc/81/86/92/1192818692.db2.gz PSPYZJOGRIMVPY-BHIYHBOVSA-N 1 3 394.560 0.968 20 0 GCADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419160461 1192818711 /nfs/dbraw/zinc/81/87/11/1192818711.db2.gz HLBZJCHCDAMVAP-IBGZPJMESA-N 1 3 389.544 0.281 20 0 GCADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419161599 1192818910 /nfs/dbraw/zinc/81/89/10/1192818910.db2.gz DMDUNJIBYBDMDA-QYZOEREBSA-N 1 3 386.496 0.214 20 0 GCADHO [NH3+]C1CCC(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000419163400 1192820767 /nfs/dbraw/zinc/82/07/67/1192820767.db2.gz JTZQFSMFZLEVDQ-CTWPCTMYSA-N 1 3 388.512 0.780 20 0 GCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419161668 1192820976 /nfs/dbraw/zinc/82/09/76/1192820976.db2.gz FAUFSADPXUNKHF-OALUTQOASA-N 1 3 388.512 0.604 20 0 GCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419163018 1192821632 /nfs/dbraw/zinc/82/16/32/1192821632.db2.gz IOWRXASHSHQLJO-CEXWTWQISA-N 1 3 388.512 0.637 20 0 GCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419167288 1192823273 /nfs/dbraw/zinc/82/32/73/1192823273.db2.gz QKJRVEMHRKLNBB-RBUKOAKNSA-N 1 3 388.512 0.462 20 0 GCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419171369 1192826091 /nfs/dbraw/zinc/82/60/91/1192826091.db2.gz XNOKPSMUXNEQQD-SFHVURJKSA-N 1 3 390.528 0.837 20 0 GCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419167667 1192829351 /nfs/dbraw/zinc/82/93/51/1192829351.db2.gz QRYQWCLMVZCBEX-WMZOPIPTSA-N 1 3 376.501 0.365 20 0 GCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419167660 1192829561 /nfs/dbraw/zinc/82/95/61/1192829561.db2.gz QRYQWCLMVZCBEX-AEFFLSMTSA-N 1 3 376.501 0.365 20 0 GCADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419196004 1192832476 /nfs/dbraw/zinc/83/24/76/1192832476.db2.gz AEFWIUKVPMTHDX-LPHOPBHVSA-N 1 3 388.512 0.782 20 0 GCADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419196004 1192832482 /nfs/dbraw/zinc/83/24/82/1192832482.db2.gz AEFWIUKVPMTHDX-LPHOPBHVSA-N 1 3 388.512 0.782 20 0 GCADHO CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CNCCO3)cc2)CC1 ZINC000419182561 1192834639 /nfs/dbraw/zinc/83/46/39/1192834639.db2.gz CKIZHMZUNJXHSD-IBGZPJMESA-N 1 3 388.512 0.639 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419198975 1192838411 /nfs/dbraw/zinc/83/84/11/1192838411.db2.gz DDHVVMBLURSULA-RHSMWYFYSA-N 1 3 392.500 0.472 20 0 GCADHO C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)ccn1 ZINC000893914308 1192876084 /nfs/dbraw/zinc/87/60/84/1192876084.db2.gz NJAMWYUPKLVMKR-QZTJIDSGSA-N 1 3 391.516 0.763 20 0 GCADHO C[C@@H]1CO[C@@H](C)CN1CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000663876667 1192916823 /nfs/dbraw/zinc/91/68/23/1192916823.db2.gz KFXRYRIHJZYZHK-SJORKVTESA-N 1 3 381.565 0.953 20 0 GCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000274515106 1184083649 /nfs/dbraw/zinc/08/36/49/1184083649.db2.gz MFPJTPAVTORHFL-KRWDZBQOSA-N 1 3 389.544 0.871 20 0 GCADHO Cc1csc([C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C2CC2)n1 ZINC000579697454 1184095375 /nfs/dbraw/zinc/09/53/75/1184095375.db2.gz UXZCYGVGTFMFLB-HNNXBMFYSA-N 1 3 381.546 0.971 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](S(N)(=O)=O)C3)CC2)CC1 ZINC000654815126 1184152203 /nfs/dbraw/zinc/15/22/03/1184152203.db2.gz LLBKBCQQUCULAD-KRWDZBQOSA-N 1 3 386.562 0.462 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000579833625 1184306748 /nfs/dbraw/zinc/30/67/48/1184306748.db2.gz HUHLSZKIGAJEFG-SFHVURJKSA-N 1 3 376.501 0.618 20 0 GCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419171794 1184572587 /nfs/dbraw/zinc/57/25/87/1184572587.db2.gz YFYYHOPCOBYFFD-QYZOEREBSA-N 1 3 388.512 0.780 20 0 GCADHO CCCN(C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@H]1CCN(C)C1 ZINC000647019543 1184786143 /nfs/dbraw/zinc/78/61/43/1184786143.db2.gz MPKLIUSRVWRHMT-IBGZPJMESA-N 1 3 393.576 0.604 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000579996607 1184896171 /nfs/dbraw/zinc/89/61/71/1184896171.db2.gz FBNFITLDXVRAOV-KCITZHQASA-N 1 3 394.560 0.717 20 0 GCADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656027587 1184962820 /nfs/dbraw/zinc/96/28/20/1184962820.db2.gz DNOAJUHTZFRYGQ-YDZRNGNQSA-N 1 3 392.544 0.864 20 0 GCADHO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000683816067 1185073626 /nfs/dbraw/zinc/07/36/26/1185073626.db2.gz IYDKJZNZRXYZFC-KRWDZBQOSA-N 1 3 381.565 0.907 20 0 GCADHO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000683816067 1185073635 /nfs/dbraw/zinc/07/36/35/1185073635.db2.gz IYDKJZNZRXYZFC-KRWDZBQOSA-N 1 3 381.565 0.907 20 0 GCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000580172933 1185104701 /nfs/dbraw/zinc/10/47/01/1185104701.db2.gz MQMONIICODGBLH-RTBURBONSA-N 1 3 375.517 0.480 20 0 GCADHO CN1CCN(CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000580308082 1185149021 /nfs/dbraw/zinc/14/90/21/1185149021.db2.gz SBPBCZLWUZQZDR-MOPGFXCFSA-N 1 3 387.528 0.350 20 0 GCADHO Cc1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(OCC[NH+](C)C)c1 ZINC000580466766 1185239942 /nfs/dbraw/zinc/23/99/42/1185239942.db2.gz MGEDRQHDZCVYFP-CABCVRRESA-N 1 3 375.473 0.711 20 0 GCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000580561821 1185276222 /nfs/dbraw/zinc/27/62/22/1185276222.db2.gz YVQQDIKYSDBZLH-MOPGFXCFSA-N 1 3 388.512 0.652 20 0 GCADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261635578 1185309467 /nfs/dbraw/zinc/30/94/67/1185309467.db2.gz FGERIKIPOQZJMS-HNNXBMFYSA-N 1 3 394.463 0.863 20 0 GCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656308850 1185383599 /nfs/dbraw/zinc/38/35/99/1185383599.db2.gz JGXFECWSNLUSJB-QZTJIDSGSA-N 1 3 380.533 0.737 20 0 GCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656308851 1185383919 /nfs/dbraw/zinc/38/39/19/1185383919.db2.gz JGXFECWSNLUSJB-ROUUACIJSA-N 1 3 380.533 0.737 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CCOC)c1 ZINC000275995222 1185391038 /nfs/dbraw/zinc/39/10/38/1185391038.db2.gz KBTUTIBSZNBLFT-QGZVFWFLSA-N 1 3 394.520 0.343 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CCOC)c1 ZINC000275995222 1185391045 /nfs/dbraw/zinc/39/10/45/1185391045.db2.gz KBTUTIBSZNBLFT-QGZVFWFLSA-N 1 3 394.520 0.343 20 0 GCADHO C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1(C)C ZINC000656316959 1185403322 /nfs/dbraw/zinc/40/33/22/1185403322.db2.gz AXFXQWSEDYIQCL-IAGOWNOFSA-N 1 3 379.549 0.262 20 0 GCADHO C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1(C)C ZINC000656316959 1185403326 /nfs/dbraw/zinc/40/33/26/1185403326.db2.gz AXFXQWSEDYIQCL-IAGOWNOFSA-N 1 3 379.549 0.262 20 0 GCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCO1 ZINC000656326134 1185418683 /nfs/dbraw/zinc/41/86/83/1185418683.db2.gz IQZXCUVCNHDUOV-KURKYZTESA-N 1 3 380.533 0.737 20 0 GCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCO1 ZINC000656326134 1185418691 /nfs/dbraw/zinc/41/86/91/1185418691.db2.gz IQZXCUVCNHDUOV-KURKYZTESA-N 1 3 380.533 0.737 20 0 GCADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656353653 1185449843 /nfs/dbraw/zinc/44/98/43/1185449843.db2.gz BRVXSHFMYCBLGN-QZTJIDSGSA-N 1 3 380.533 0.425 20 0 GCADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656353653 1185449849 /nfs/dbraw/zinc/44/98/49/1185449849.db2.gz BRVXSHFMYCBLGN-QZTJIDSGSA-N 1 3 380.533 0.425 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccnc1OC ZINC000276039338 1185515867 /nfs/dbraw/zinc/51/58/67/1185515867.db2.gz PCZNEOKDZSZDST-HNNXBMFYSA-N 1 3 377.489 0.903 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccnc1OC ZINC000276039338 1185515873 /nfs/dbraw/zinc/51/58/73/1185515873.db2.gz PCZNEOKDZSZDST-HNNXBMFYSA-N 1 3 377.489 0.903 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cncnc1OC ZINC000276084295 1185557088 /nfs/dbraw/zinc/55/70/88/1185557088.db2.gz USXGDOYHZIFSDL-AWEZNQCLSA-N 1 3 378.477 0.298 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cncnc1OC ZINC000276084295 1185557093 /nfs/dbraw/zinc/55/70/93/1185557093.db2.gz USXGDOYHZIFSDL-AWEZNQCLSA-N 1 3 378.477 0.298 20 0 GCADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000581261335 1185561245 /nfs/dbraw/zinc/56/12/45/1185561245.db2.gz KBIXXUKOBXASCT-IPMKNSEASA-N 1 3 387.528 0.893 20 0 GCADHO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430598349 1185676912 /nfs/dbraw/zinc/67/69/12/1185676912.db2.gz CTROUHJSVSBUIS-ZWKOTPCHSA-N 1 3 387.528 0.511 20 0 GCADHO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430598347 1185677183 /nfs/dbraw/zinc/67/71/83/1185677183.db2.gz CTROUHJSVSBUIS-ROUUACIJSA-N 1 3 387.528 0.511 20 0 GCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000581429233 1185687405 /nfs/dbraw/zinc/68/74/05/1185687405.db2.gz CWKSZUYFBKHOID-ZWKOTPCHSA-N 1 3 389.544 0.553 20 0 GCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000581429231 1185687417 /nfs/dbraw/zinc/68/74/17/1185687417.db2.gz CWKSZUYFBKHOID-QZTJIDSGSA-N 1 3 389.544 0.553 20 0 GCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000581451566 1185697570 /nfs/dbraw/zinc/69/75/70/1185697570.db2.gz IQOCWQRLOHDGSI-BPQIPLTHSA-N 1 3 380.533 0.471 20 0 GCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000581511443 1185734547 /nfs/dbraw/zinc/73/45/47/1185734547.db2.gz MEHVTHOTENZZLM-QZTJIDSGSA-N 1 3 382.549 0.669 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000581569266 1185765441 /nfs/dbraw/zinc/76/54/41/1185765441.db2.gz UYDNDSCNPKLIQM-UHFFFAOYSA-N 1 3 381.565 0.321 20 0 GCADHO [NH3+]CC1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000430631090 1185817300 /nfs/dbraw/zinc/81/73/00/1185817300.db2.gz TUDNIRVSNHNPQP-UHFFFAOYSA-N 1 3 394.541 0.331 20 0 GCADHO [NH3+]CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000430636061 1185825716 /nfs/dbraw/zinc/82/57/16/1185825716.db2.gz XIBYDNJEMNNCKE-UHFFFAOYSA-N 1 3 398.504 0.329 20 0 GCADHO C#CCN1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC1 ZINC000161055585 1185947485 /nfs/dbraw/zinc/94/74/85/1185947485.db2.gz SECWOYJWRCFZTL-FQEVSTJZSA-N 1 3 384.524 0.737 20 0 GCADHO CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)N1CCN(C)CC1 ZINC000891751533 1186009010 /nfs/dbraw/zinc/00/90/10/1186009010.db2.gz ADEMADRMJQHNMD-FHWLQOOXSA-N 1 3 381.565 0.499 20 0 GCADHO CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)N1CCN(C)CC1 ZINC000891751533 1186009015 /nfs/dbraw/zinc/00/90/15/1186009015.db2.gz ADEMADRMJQHNMD-FHWLQOOXSA-N 1 3 381.565 0.499 20 0 GCADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430919891 1186054309 /nfs/dbraw/zinc/05/43/09/1186054309.db2.gz MTEPNCFDZYEYOC-IHRRRGAJSA-N 1 3 382.530 0.959 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000933847415 1186108779 /nfs/dbraw/zinc/10/87/79/1186108779.db2.gz GRIBRIHZLLJUAC-MSOLQXFVSA-N 1 3 393.576 0.319 20 0 GCADHO C[C@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000431034239 1186109964 /nfs/dbraw/zinc/10/99/64/1186109964.db2.gz UTTORICCPYTHJN-GJZGRUSLSA-N 1 3 394.541 0.975 20 0 GCADHO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431034241 1186110413 /nfs/dbraw/zinc/11/04/13/1186110413.db2.gz UTTORICCPYTHJN-LSDHHAIUSA-N 1 3 394.541 0.975 20 0 GCADHO O=C(NC[C@H]1NCCc2ccccc21)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892118858 1186354831 /nfs/dbraw/zinc/35/48/31/1186354831.db2.gz JFNUZHBEOQJYCA-DDBAPUKQSA-N 1 3 385.468 0.450 20 0 GCADHO COC(=O)c1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)cc1C ZINC000582640564 1186594974 /nfs/dbraw/zinc/59/49/74/1186594974.db2.gz URZMLIWUEIWNNS-UHFFFAOYSA-N 1 3 392.500 0.980 20 0 GCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000685080859 1186773360 /nfs/dbraw/zinc/77/33/60/1186773360.db2.gz RLWSEHCGPRTYKK-LJQANCHMSA-N 1 3 395.592 0.567 20 0 GCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000685080859 1186773362 /nfs/dbraw/zinc/77/33/62/1186773362.db2.gz RLWSEHCGPRTYKK-LJQANCHMSA-N 1 3 395.592 0.567 20 0 GCADHO CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@H]3CN(C)CCN3C)CC2)CC1 ZINC000583161347 1186785108 /nfs/dbraw/zinc/78/51/08/1186785108.db2.gz TVFLSJQVWCTBBS-ABHNRTSZSA-N 1 3 379.549 0.071 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000124625987 1186799463 /nfs/dbraw/zinc/79/94/63/1186799463.db2.gz SFDRZONMHHXBDQ-INIZCTEOSA-N 1 3 377.489 0.198 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000124625987 1186799467 /nfs/dbraw/zinc/79/94/67/1186799467.db2.gz SFDRZONMHHXBDQ-INIZCTEOSA-N 1 3 377.489 0.198 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000583285812 1186817809 /nfs/dbraw/zinc/81/78/09/1186817809.db2.gz QBVYSNMPCNCYHH-QRVBRYPASA-N 1 3 392.544 0.567 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@@H]1CCCN(CCCO)C1 ZINC000458541250 1186862186 /nfs/dbraw/zinc/86/21/86/1186862186.db2.gz AEPWPQBUWUJGFI-QRVBRYPASA-N 1 3 382.549 0.900 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)C[C@@H](C)O1 ZINC000583558915 1186885775 /nfs/dbraw/zinc/88/57/75/1186885775.db2.gz VYGYQWBUYPBFTQ-FPAYPSAMSA-N 1 3 392.544 0.545 20 0 GCADHO C[C@H](O)CN1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000245884038 1186900251 /nfs/dbraw/zinc/90/02/51/1186900251.db2.gz OIDYOHRWQLARJO-IRXDYDNUSA-N 1 3 390.532 0.430 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCN(C2CCC2)C1 ZINC000563730643 1186902780 /nfs/dbraw/zinc/90/27/80/1186902780.db2.gz KQXSUBKILLTLCM-OAHLLOKOSA-N 1 3 376.505 0.716 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)CC2)CC1 ZINC000050800327 1186952093 /nfs/dbraw/zinc/95/20/93/1186952093.db2.gz GZVAIJCNYCZXAM-QGZVFWFLSA-N 1 3 386.562 0.475 20 0 GCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)CCN2C1=O ZINC000584005911 1186979029 /nfs/dbraw/zinc/97/90/29/1186979029.db2.gz OSISKPVTTLEBLE-HLLBOEOZSA-N 1 3 391.541 0.914 20 0 GCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)CCN2C1=O ZINC000584005911 1186979032 /nfs/dbraw/zinc/97/90/32/1186979032.db2.gz OSISKPVTTLEBLE-HLLBOEOZSA-N 1 3 391.541 0.914 20 0 GCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CCSC1 ZINC000584365055 1187041334 /nfs/dbraw/zinc/04/13/34/1187041334.db2.gz FBVHUEKTZURODQ-GOSISDBHSA-N 1 3 386.562 0.109 20 0 GCADHO CO[C@@H](C[NH3+])C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000584408558 1187054283 /nfs/dbraw/zinc/05/42/83/1187054283.db2.gz DEEROUYBYOQFEI-SFHVURJKSA-N 1 3 376.501 0.447 20 0 GCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1COc2ccccc21 ZINC000685405407 1187123218 /nfs/dbraw/zinc/12/32/18/1187123218.db2.gz WLAYCTBJZAOXDB-NVXWUHKLSA-N 1 3 376.501 0.619 20 0 GCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000685520293 1187143640 /nfs/dbraw/zinc/14/36/40/1187143640.db2.gz BOPMXQVMIRVSED-QZTJIDSGSA-N 1 3 393.576 0.461 20 0 GCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000685520293 1187143643 /nfs/dbraw/zinc/14/36/43/1187143643.db2.gz BOPMXQVMIRVSED-QZTJIDSGSA-N 1 3 393.576 0.461 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000685520292 1187143703 /nfs/dbraw/zinc/14/37/03/1187143703.db2.gz BOPMXQVMIRVSED-MSOLQXFVSA-N 1 3 393.576 0.461 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000685520292 1187143708 /nfs/dbraw/zinc/14/37/08/1187143708.db2.gz BOPMXQVMIRVSED-MSOLQXFVSA-N 1 3 393.576 0.461 20 0 GCADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612225286 1187413666 /nfs/dbraw/zinc/41/36/66/1187413666.db2.gz ZUOOBOZXEZKYQD-UHFFFAOYSA-N 1 3 387.528 0.962 20 0 GCADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612225286 1187413667 /nfs/dbraw/zinc/41/36/67/1187413667.db2.gz ZUOOBOZXEZKYQD-UHFFFAOYSA-N 1 3 387.528 0.962 20 0 GCADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612447321 1187493332 /nfs/dbraw/zinc/49/33/32/1187493332.db2.gz PGZFAHJHQACBMB-PKOBYXMFSA-N 1 3 392.544 0.879 20 0 GCADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612447321 1187493335 /nfs/dbraw/zinc/49/33/35/1187493335.db2.gz PGZFAHJHQACBMB-PKOBYXMFSA-N 1 3 392.544 0.879 20 0 GCADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612447318 1187493690 /nfs/dbraw/zinc/49/36/90/1187493690.db2.gz PGZFAHJHQACBMB-HKUYNNGSSA-N 1 3 392.544 0.879 20 0 GCADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612447318 1187493696 /nfs/dbraw/zinc/49/36/96/1187493696.db2.gz PGZFAHJHQACBMB-HKUYNNGSSA-N 1 3 392.544 0.879 20 0 GCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000612486220 1187505593 /nfs/dbraw/zinc/50/55/93/1187505593.db2.gz QMBIORQYRXETJQ-QZTJIDSGSA-N 1 3 382.549 0.792 20 0 GCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC[C@@H]21 ZINC000612595568 1187534968 /nfs/dbraw/zinc/53/49/68/1187534968.db2.gz IVLUNMHEPCZXRS-NXHRZFHOSA-N 1 3 378.517 0.299 20 0 GCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC[C@@H]21 ZINC000612595568 1187534971 /nfs/dbraw/zinc/53/49/71/1187534971.db2.gz IVLUNMHEPCZXRS-NXHRZFHOSA-N 1 3 378.517 0.299 20 0 GCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612595261 1187535844 /nfs/dbraw/zinc/53/58/44/1187535844.db2.gz FRBMXDXDXPOAIF-MSOLQXFVSA-N 1 3 380.533 0.689 20 0 GCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612595261 1187535848 /nfs/dbraw/zinc/53/58/48/1187535848.db2.gz FRBMXDXDXPOAIF-MSOLQXFVSA-N 1 3 380.533 0.689 20 0 GCADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612597774 1187536309 /nfs/dbraw/zinc/53/63/09/1187536309.db2.gz NAGZHZCTBZKZHI-KBAYOESNSA-N 1 3 378.517 0.299 20 0 GCADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612597774 1187536317 /nfs/dbraw/zinc/53/63/17/1187536317.db2.gz NAGZHZCTBZKZHI-KBAYOESNSA-N 1 3 378.517 0.299 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000612600472 1187539466 /nfs/dbraw/zinc/53/94/66/1187539466.db2.gz INLVFRCGXDODFN-LJQANCHMSA-N 1 3 392.544 0.833 20 0 GCADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000612601686 1187540355 /nfs/dbraw/zinc/54/03/55/1187540355.db2.gz SRQXKFNFVMWIFP-LJQANCHMSA-N 1 3 394.560 0.936 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)C2)CC1 ZINC000570234554 1187551412 /nfs/dbraw/zinc/55/14/12/1187551412.db2.gz ZFKSUYBHVSZCDP-WMZOPIPTSA-N 1 3 379.549 0.212 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C3CC3)C2)CC1 ZINC000570234554 1187551415 /nfs/dbraw/zinc/55/14/15/1187551415.db2.gz ZFKSUYBHVSZCDP-WMZOPIPTSA-N 1 3 379.549 0.212 20 0 GCADHO CN1CCC[C@H](NC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612870430 1187608993 /nfs/dbraw/zinc/60/89/93/1187608993.db2.gz CVFRSHPEKGDKMN-HOTGVXAUSA-N 1 3 375.521 0.803 20 0 GCADHO C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)CN1CCN(C)CC1 ZINC000247030699 1187680666 /nfs/dbraw/zinc/68/06/66/1187680666.db2.gz QQVWILKRMYZLNO-MISYRCLQSA-N 1 3 395.592 0.937 20 0 GCADHO CC1[C@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)[C@H]1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000613327864 1187720385 /nfs/dbraw/zinc/72/03/85/1187720385.db2.gz DDRZGPNZSNPWQP-RABCQHRBSA-N 1 3 388.556 0.974 20 0 GCADHO CC1[C@H](C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)[C@H]1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000613327864 1187720387 /nfs/dbraw/zinc/72/03/87/1187720387.db2.gz DDRZGPNZSNPWQP-RABCQHRBSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000668828078 1187852084 /nfs/dbraw/zinc/85/20/84/1187852084.db2.gz UARLGIYOBRSRNT-GOSISDBHSA-N 1 3 394.560 0.984 20 0 GCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCN(C(C)(C)C)CC3)CC2)C1 ZINC000659061704 1187855536 /nfs/dbraw/zinc/85/55/36/1187855536.db2.gz PTGBZMHUVWCKNI-SFHVURJKSA-N 1 3 393.576 0.558 20 0 GCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCN(C(C)(C)C)CC3)CC2)C1 ZINC000659061704 1187855541 /nfs/dbraw/zinc/85/55/41/1187855541.db2.gz PTGBZMHUVWCKNI-SFHVURJKSA-N 1 3 393.576 0.558 20 0 GCADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCN(C(C)(C)C)CC3)CC2)C1 ZINC000659061700 1187855592 /nfs/dbraw/zinc/85/55/92/1187855592.db2.gz PTGBZMHUVWCKNI-GOSISDBHSA-N 1 3 393.576 0.558 20 0 GCADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCN(C(C)(C)C)CC3)CC2)C1 ZINC000659061700 1187855600 /nfs/dbraw/zinc/85/56/00/1187855600.db2.gz PTGBZMHUVWCKNI-GOSISDBHSA-N 1 3 393.576 0.558 20 0 GCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000659110881 1187886503 /nfs/dbraw/zinc/88/65/03/1187886503.db2.gz DKXNCNBQPDFWLY-WMLDXEAASA-N 1 3 389.500 0.515 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000659318670 1187943459 /nfs/dbraw/zinc/94/34/59/1187943459.db2.gz WMBJUTWZTCPJNO-MRXNPFEDSA-N 1 3 397.564 0.078 20 0 GCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)CC2)C1 ZINC000659345149 1187945489 /nfs/dbraw/zinc/94/54/89/1187945489.db2.gz DAMVUSZAYXRWFN-RBUKOAKNSA-N 1 3 391.560 0.312 20 0 GCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)CC2)C1 ZINC000659345149 1187945493 /nfs/dbraw/zinc/94/54/93/1187945493.db2.gz DAMVUSZAYXRWFN-RBUKOAKNSA-N 1 3 391.560 0.312 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000659470461 1187962495 /nfs/dbraw/zinc/96/24/95/1187962495.db2.gz BUOBHWLVQHOAIQ-LSDHHAIUSA-N 1 3 378.477 0.208 20 0 GCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000659697975 1187999200 /nfs/dbraw/zinc/99/92/00/1187999200.db2.gz MINLTHGFOGVDJW-QGZVFWFLSA-N 1 3 375.517 0.035 20 0 GCADHO C[C@@]1(CNC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CCC[NH2+]C1 ZINC000659723644 1188008979 /nfs/dbraw/zinc/00/89/79/1188008979.db2.gz OQJWQVDZDFTUPF-OAQYLSRUSA-N 1 3 387.528 0.916 20 0 GCADHO [NH3+]CCC1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000659726882 1188013166 /nfs/dbraw/zinc/01/31/66/1188013166.db2.gz CJIRRQAGTKECIU-UHFFFAOYSA-N 1 3 387.528 0.997 20 0 GCADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC3CCN(Cc4ccncc4)CC3)C[C@H]21 ZINC000659726937 1188014006 /nfs/dbraw/zinc/01/40/06/1188014006.db2.gz DDIUGAKOWSBUJV-XUVXKRRUSA-N 1 3 399.539 0.996 20 0 GCADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659730727 1188016554 /nfs/dbraw/zinc/01/65/54/1188016554.db2.gz UQQFBHWJHYAVMN-GOSISDBHSA-N 1 3 387.528 0.997 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)C3CC[NH2+]CC3)cc2)CC1 ZINC000415318350 1188033018 /nfs/dbraw/zinc/03/30/18/1188033018.db2.gz GMFNITMDBYKWHW-UHFFFAOYSA-N 1 3 387.528 0.973 20 0 GCADHO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N1CCCNCC1 ZINC000415317906 1188033208 /nfs/dbraw/zinc/03/32/08/1188033208.db2.gz MARZTRNIHOVQQE-UHFFFAOYSA-N 1 3 385.512 0.979 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH2+]C)C3)cc2)CC1 ZINC000415395781 1188070800 /nfs/dbraw/zinc/07/08/00/1188070800.db2.gz OIYCSQJSBWTGJU-SFHVURJKSA-N 1 3 387.528 0.831 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)cc2)CC1 ZINC000415517405 1188097271 /nfs/dbraw/zinc/09/72/71/1188097271.db2.gz HKKZNUDLVBKRBJ-WMZOPIPTSA-N 1 3 387.528 0.958 20 0 GCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415677976 1188140365 /nfs/dbraw/zinc/14/03/65/1188140365.db2.gz VTAMQZDGHMJNKM-CALCHBBNSA-N 1 3 385.512 0.833 20 0 GCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c(C)c2)CC1 ZINC000415812013 1189369224 /nfs/dbraw/zinc/36/92/24/1189369224.db2.gz CIBITTOTZOJKEA-APWZRJJASA-N 1 3 385.512 0.896 20 0 GCADHO C[C@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000378313770 1189472125 /nfs/dbraw/zinc/47/21/25/1189472125.db2.gz GULIXYUHUWRJPY-LPHOPBHVSA-N 1 3 396.557 0.671 20 0 GCADHO C[C@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000378313770 1189472129 /nfs/dbraw/zinc/47/21/29/1189472129.db2.gz GULIXYUHUWRJPY-LPHOPBHVSA-N 1 3 396.557 0.671 20 0 GCADHO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)O1 ZINC000378437373 1189509476 /nfs/dbraw/zinc/50/94/76/1189509476.db2.gz SIIWYQQNUREZMV-MSOLQXFVSA-N 1 3 395.548 0.480 20 0 GCADHO CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000363837293 1189515512 /nfs/dbraw/zinc/51/55/12/1189515512.db2.gz XABWKKFNLLLTGT-RBUKOAKNSA-N 1 3 381.565 0.955 20 0 GCADHO CN1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)cc2C1 ZINC000363911484 1189569531 /nfs/dbraw/zinc/56/95/31/1189569531.db2.gz RUJLADFUAJNNJY-SFHVURJKSA-N 1 3 385.512 0.855 20 0 GCADHO CN1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)cc2C1 ZINC000363911484 1189569537 /nfs/dbraw/zinc/56/95/37/1189569537.db2.gz RUJLADFUAJNNJY-SFHVURJKSA-N 1 3 385.512 0.855 20 0 GCADHO CN1CCN(CCCNC(=O)N2CCO[C@@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000417015986 1189607594 /nfs/dbraw/zinc/60/75/94/1189607594.db2.gz HUFRISQLJBBFQV-OALUTQOASA-N 1 3 375.517 0.734 20 0 GCADHO CN1CCN(CCCNC(=O)NC[C@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000417014822 1189608376 /nfs/dbraw/zinc/60/83/76/1189608376.db2.gz FYHUKMSCIUXZKW-RTBURBONSA-N 1 3 375.517 0.653 20 0 GCADHO CN1CCN(CCCNC(=O)NCCN2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000417026188 1189609724 /nfs/dbraw/zinc/60/97/24/1189609724.db2.gz SMXDSOQXERCLSB-HXUWFJFHSA-N 1 3 388.560 0.570 20 0 GCADHO [NH3+]C[C@@H]1CN(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000417158757 1189626345 /nfs/dbraw/zinc/62/63/45/1189626345.db2.gz OFQKCRZHKGWDGH-HXUWFJFHSA-N 1 3 389.544 0.954 20 0 GCADHO COCCN(C)CCOc1cccc(CNC(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000417462721 1189668556 /nfs/dbraw/zinc/66/85/56/1189668556.db2.gz YERQAJXQDHYIAV-GOSISDBHSA-N 1 3 380.489 0.513 20 0 GCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000563064920 1189690876 /nfs/dbraw/zinc/69/08/76/1189690876.db2.gz NSHQIJXJNUJLTH-LJQANCHMSA-N 1 3 387.528 0.573 20 0 GCADHO CN1CCN(CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(C)C ZINC000418179252 1189734472 /nfs/dbraw/zinc/73/44/72/1189734472.db2.gz XKHSIODIMOVKQH-AWEZNQCLSA-N 1 3 394.486 0.148 20 0 GCADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCCO1 ZINC000364331907 1189751505 /nfs/dbraw/zinc/75/15/05/1189751505.db2.gz MVFVDFAGNHWICO-MSOLQXFVSA-N 1 3 395.548 0.435 20 0 GCADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCCO1 ZINC000364331907 1189751511 /nfs/dbraw/zinc/75/15/11/1189751511.db2.gz MVFVDFAGNHWICO-MSOLQXFVSA-N 1 3 395.548 0.435 20 0 GCADHO CN(CCN1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000418299476 1189753112 /nfs/dbraw/zinc/75/31/12/1189753112.db2.gz OAZXMZDFHFCIAB-UHFFFAOYSA-N 1 3 388.560 0.351 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN([C@@H]4CCOC4)CC3)CC2)CC1 ZINC000660573927 1189908508 /nfs/dbraw/zinc/90/85/08/1189908508.db2.gz MATAMJXWWLONEU-LJQANCHMSA-N 1 3 379.549 0.661 20 0 GCADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1=O ZINC000662866089 1190061942 /nfs/dbraw/zinc/06/19/42/1190061942.db2.gz CXFGKZRJSOVGNL-CGTJXYLNSA-N 1 3 376.476 0.798 20 0 GCADHO N[C@@H]1CCCCN(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1=O ZINC000662867280 1190064360 /nfs/dbraw/zinc/06/43/60/1190064360.db2.gz WODUUDATEPJPGH-KBRIMQKVSA-N 1 3 380.439 0.866 20 0 GCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000411033680 1193724432 /nfs/dbraw/zinc/72/44/32/1193724432.db2.gz WIWPZMDQBAWFIN-HKUYNNGSSA-N 1 3 393.576 0.554 20 0 GCADHO C[C@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@@H+]1CCCC[C@H]1C ZINC000512665133 1193729552 /nfs/dbraw/zinc/72/95/52/1193729552.db2.gz DQSSIXKYNKTWTE-RTBURBONSA-N 1 3 383.581 0.939 20 0 GCADHO C[C@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@H+]1CCCC[C@H]1C ZINC000512665133 1193729555 /nfs/dbraw/zinc/72/95/55/1193729555.db2.gz DQSSIXKYNKTWTE-RTBURBONSA-N 1 3 383.581 0.939 20 0 GCADHO C[C@H](NC(=O)C(=O)N1CCNCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419303776 1193797415 /nfs/dbraw/zinc/79/74/15/1193797415.db2.gz SOUOFIUBOILRJS-AWEZNQCLSA-N 1 3 377.464 0.187 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000412001653 1193799181 /nfs/dbraw/zinc/79/91/81/1193799181.db2.gz HIRHUGKFTHFBKW-SFHVURJKSA-N 1 3 394.585 0.971 20 0 GCADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000263248146 1193815018 /nfs/dbraw/zinc/81/50/18/1193815018.db2.gz NTZRTPXNALFYCJ-INIZCTEOSA-N 1 3 377.445 0.194 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)cc2)CC1 ZINC000419329970 1193822441 /nfs/dbraw/zinc/82/24/41/1193822441.db2.gz FQOSCAMFSLTIQY-IBGZPJMESA-N 1 3 387.528 0.261 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H](C)CC[NH3+])cc2)CC1 ZINC000419335793 1193828022 /nfs/dbraw/zinc/82/80/22/1193828022.db2.gz KCEXMLAAMPAHCZ-MRXNPFEDSA-N 1 3 375.517 0.294 20 0 GCADHO CO[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419372395 1193875624 /nfs/dbraw/zinc/87/56/24/1193875624.db2.gz KPHSLTFPQSAZCF-MSOLQXFVSA-N 1 3 388.512 0.167 20 0 GCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)Cc2ccccc2C1 ZINC000419373020 1193876355 /nfs/dbraw/zinc/87/63/55/1193876355.db2.gz LWZZTNQNNAWRPV-IPMKNSEASA-N 1 3 384.524 0.788 20 0 GCADHO CCC(CC)(NC(=O)C1CN(CCCN2CC[NH+](C(C)C)CC2)C1)C(N)=O ZINC000513235764 1193926829 /nfs/dbraw/zinc/92/68/29/1193926829.db2.gz FGUOIAJUZWBAEJ-UHFFFAOYSA-N 1 3 381.565 0.495 20 0 GCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419420457 1194023294 /nfs/dbraw/zinc/02/32/94/1194023294.db2.gz NAPOKKONPBTGPU-IEBWSBKVSA-N 1 3 389.544 0.453 20 0 GCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419421593 1194023615 /nfs/dbraw/zinc/02/36/15/1194023615.db2.gz LPQMNSGXYXHJDY-NXHRZFHOSA-N 1 3 380.533 0.722 20 0 GCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419427511 1194026668 /nfs/dbraw/zinc/02/66/68/1194026668.db2.gz ZBSIBXOAFLWOPK-FUHWJXTLSA-N 1 3 375.517 0.287 20 0 GCADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419427142 1194027369 /nfs/dbraw/zinc/02/73/69/1194027369.db2.gz YOICSTYSWLJREV-SJLPKXTDSA-N 1 3 375.517 0.192 20 0 GCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000419414854 1194030607 /nfs/dbraw/zinc/03/06/07/1194030607.db2.gz HHFMNHHOLIIRJH-MOPGFXCFSA-N 1 3 387.528 0.302 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419411953 1194030854 /nfs/dbraw/zinc/03/08/54/1194030854.db2.gz CJHGETAAOQRYBA-RBUKOAKNSA-N 1 3 387.528 0.335 20 0 GCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000419415654 1194031490 /nfs/dbraw/zinc/03/14/90/1194031490.db2.gz VOJMFTQQFMZHFN-FUHWJXTLSA-N 1 3 376.476 0.927 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000419512757 1194051167 /nfs/dbraw/zinc/05/11/67/1194051167.db2.gz KUVOXSUSNCWAAB-SFHVURJKSA-N 1 3 387.528 0.492 20 0 GCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCSC1 ZINC000419577801 1194059806 /nfs/dbraw/zinc/05/98/06/1194059806.db2.gz FAEQBLLHQWXAPS-FRQCXROJSA-N 1 3 394.516 0.632 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419596023 1194067885 /nfs/dbraw/zinc/06/78/85/1194067885.db2.gz XKMWBJGADKRYNQ-KURKYZTESA-N 1 3 380.533 0.722 20 0 GCADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)C(C)C ZINC000419663871 1194077690 /nfs/dbraw/zinc/07/76/90/1194077690.db2.gz KYECBSFZHXLKSI-QGZVFWFLSA-N 1 3 393.536 0.525 20 0 GCADHO O=C(NCCN1CCC2(CCCCC2)CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419678042 1194080273 /nfs/dbraw/zinc/08/02/73/1194080273.db2.gz OFNFXHDBAJWALZ-QGZVFWFLSA-N 1 3 380.533 0.644 20 0 GCADHO COc1cc(NC(=O)C(=O)NC[C@H]2CCCN2C)ccc1OCC[NH+](C)C ZINC000419691786 1194086318 /nfs/dbraw/zinc/08/63/18/1194086318.db2.gz FZQZLLDDOKMFBJ-OAHLLOKOSA-N 1 3 378.473 0.785 20 0 GCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000419802819 1194106733 /nfs/dbraw/zinc/10/67/33/1194106733.db2.gz AWRLUSPUKYYZMG-SFHVURJKSA-N 1 3 395.592 0.805 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419856549 1194123017 /nfs/dbraw/zinc/12/30/17/1194123017.db2.gz JBZKNKHIAKEUOA-JZXOWHBKSA-N 1 3 380.533 0.450 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419874519 1194129583 /nfs/dbraw/zinc/12/95/83/1194129583.db2.gz ZUEUGJOLNSCQLH-ZIFCJYIRSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000419914287 1194138212 /nfs/dbraw/zinc/13/82/12/1194138212.db2.gz BQPNAIUUMXYLSI-LPHOPBHVSA-N 1 3 387.528 0.430 20 0 GCADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419907473 1194140914 /nfs/dbraw/zinc/14/09/14/1194140914.db2.gz GBJUMGXCKAVWED-CALCHBBNSA-N 1 3 382.549 0.840 20 0 GCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419911891 1194142715 /nfs/dbraw/zinc/14/27/15/1194142715.db2.gz KJFVBFMMIKJEQG-ZWKOTPCHSA-N 1 3 376.501 0.762 20 0 GCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419911870 1194142784 /nfs/dbraw/zinc/14/27/84/1194142784.db2.gz GAEUDPCQHSWGMF-BQFCYCMXSA-N 1 3 380.533 0.593 20 0 GCADHO N[C@H](CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000419935795 1194145480 /nfs/dbraw/zinc/14/54/80/1194145480.db2.gz SSPNTNMACKYBIB-LJQANCHMSA-N 1 3 388.512 0.906 20 0 GCADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419970528 1194149509 /nfs/dbraw/zinc/14/95/09/1194149509.db2.gz VCPAGQPOFIYJKN-INIZCTEOSA-N 1 3 389.500 0.763 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419995097 1194154457 /nfs/dbraw/zinc/15/44/57/1194154457.db2.gz HSAOJBCPZJIZCJ-SCTDSRPQSA-N 1 3 394.560 0.983 20 0 GCADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)o1 ZINC000420023596 1194158299 /nfs/dbraw/zinc/15/82/99/1194158299.db2.gz AUHIKPPSAQHILP-HOCLYGCPSA-N 1 3 380.489 0.707 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420042460 1194166632 /nfs/dbraw/zinc/16/66/32/1194166632.db2.gz QRKJGVBAFIKLRU-DZGCQCFKSA-N 1 3 382.530 0.868 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000420043660 1194168346 /nfs/dbraw/zinc/16/83/46/1194168346.db2.gz OUDXQCBJFMGKIG-JOCBIADPSA-N 1 3 380.533 0.578 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000420054926 1194170642 /nfs/dbraw/zinc/17/06/42/1194170642.db2.gz HQBKFFUILLXIRY-DZGCQCFKSA-N 1 3 382.530 0.868 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000420109875 1194181438 /nfs/dbraw/zinc/18/14/38/1194181438.db2.gz FEGAAMJMSXSXOC-IMBTUZDBSA-N 1 3 394.560 0.839 20 0 GCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)CC[NH2+]1 ZINC000420136984 1194184765 /nfs/dbraw/zinc/18/47/65/1194184765.db2.gz WPNIVUVAPNGNRA-YWTNHNAXSA-N 1 3 394.560 0.981 20 0 GCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000420136975 1194184857 /nfs/dbraw/zinc/18/48/57/1194184857.db2.gz WPNIVUVAPNGNRA-VXIBKDFQSA-N 1 3 394.560 0.981 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000420183231 1194197920 /nfs/dbraw/zinc/19/79/20/1194197920.db2.gz GNNIDGUUWGHGPF-RDJZCZTQSA-N 1 3 376.501 0.829 20 0 GCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420186328 1194199089 /nfs/dbraw/zinc/19/90/89/1194199089.db2.gz APXBHCYVIPRPOB-INIZCTEOSA-N 1 3 382.892 0.335 20 0 GCADHO C[C@@H](O)CCN(C)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420199065 1194203021 /nfs/dbraw/zinc/20/30/21/1194203021.db2.gz DAXULURJKBYJNQ-MRXNPFEDSA-N 1 3 376.501 0.325 20 0 GCADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420202350 1194203598 /nfs/dbraw/zinc/20/35/98/1194203598.db2.gz PCHJKBHZZGFVHG-WMZOPIPTSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420202350 1194203603 /nfs/dbraw/zinc/20/36/03/1194203603.db2.gz PCHJKBHZZGFVHG-WMZOPIPTSA-N 1 3 380.533 0.594 20 0 GCADHO CSCCN(C)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420201639 1194203759 /nfs/dbraw/zinc/20/37/59/1194203759.db2.gz IIOZSURWOBGVNX-UHFFFAOYSA-N 1 3 378.542 0.918 20 0 GCADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420204024 1194204834 /nfs/dbraw/zinc/20/48/34/1194204834.db2.gz QQHMGMUHUTYOAC-HNNXBMFYSA-N 1 3 382.530 0.523 20 0 GCADHO C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420205081 1194204938 /nfs/dbraw/zinc/20/49/38/1194204938.db2.gz NHDVWRYCPGVMHF-AEFFLSMTSA-N 1 3 388.512 0.325 20 0 GCADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420207232 1194205471 /nfs/dbraw/zinc/20/54/71/1194205471.db2.gz TWMBLNAJHBIYHP-BHIYHBOVSA-N 1 3 388.512 0.603 20 0 GCADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420207232 1194205474 /nfs/dbraw/zinc/20/54/74/1194205474.db2.gz TWMBLNAJHBIYHP-BHIYHBOVSA-N 1 3 388.512 0.603 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420190202 1194207025 /nfs/dbraw/zinc/20/70/25/1194207025.db2.gz PBQRBARHKYSAIF-KRWDZBQOSA-N 1 3 380.464 0.211 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501624369 1194210112 /nfs/dbraw/zinc/21/01/12/1194210112.db2.gz NSCIUXJPHZHAPA-RBUKOAKNSA-N 1 3 394.560 0.936 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501624369 1194210116 /nfs/dbraw/zinc/21/01/16/1194210116.db2.gz NSCIUXJPHZHAPA-RBUKOAKNSA-N 1 3 394.560 0.936 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501624367 1194210142 /nfs/dbraw/zinc/21/01/42/1194210142.db2.gz NSCIUXJPHZHAPA-MOPGFXCFSA-N 1 3 394.560 0.936 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501624367 1194210147 /nfs/dbraw/zinc/21/01/47/1194210147.db2.gz NSCIUXJPHZHAPA-MOPGFXCFSA-N 1 3 394.560 0.936 20 0 GCADHO C[C@@]1(O)CCCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420213965 1194213855 /nfs/dbraw/zinc/21/38/55/1194213855.db2.gz ZLDUVLCFMHCMHZ-HXUWFJFHSA-N 1 3 388.512 0.470 20 0 GCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422116776 1194394278 /nfs/dbraw/zinc/39/42/78/1194394278.db2.gz LFIFWUSSUPKTSZ-KRWDZBQOSA-N 1 3 382.549 0.888 20 0 GCADHO CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2)CC1 ZINC000422123199 1194396404 /nfs/dbraw/zinc/39/64/04/1194396404.db2.gz XPCWBQDPQMZLOP-IBGZPJMESA-N 1 3 393.576 0.558 20 0 GCADHO CCN1CCC([N@@H+]2CCCN(C(=O)NCCCN3CCOCC3)CC2)CC1 ZINC000422143630 1194398744 /nfs/dbraw/zinc/39/87/44/1194398744.db2.gz YTEKLXUGMDBNHB-UHFFFAOYSA-N 1 3 381.565 0.910 20 0 GCADHO CCN1CCC([N@H+]2CCCN(C(=O)NCCCN3CCOCC3)CC2)CC1 ZINC000422143630 1194398750 /nfs/dbraw/zinc/39/87/50/1194398750.db2.gz YTEKLXUGMDBNHB-UHFFFAOYSA-N 1 3 381.565 0.910 20 0 GCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000414695811 1194701575 /nfs/dbraw/zinc/70/15/75/1194701575.db2.gz FJTPXQWPYJCOKH-HXUWFJFHSA-N 1 3 396.491 0.880 20 0 GCADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000422975341 1194714615 /nfs/dbraw/zinc/71/46/15/1194714615.db2.gz SOCYCDZOYQBFRP-WDSOQIARSA-N 1 3 388.512 0.810 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423101578 1194727424 /nfs/dbraw/zinc/72/74/24/1194727424.db2.gz WAOKPUOLJFSNRF-SJLPKXTDSA-N 1 3 376.476 0.926 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423210816 1194737574 /nfs/dbraw/zinc/73/75/74/1194737574.db2.gz XPVFCOXXUAHIPX-IAGOWNOFSA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423201922 1194738823 /nfs/dbraw/zinc/73/88/23/1194738823.db2.gz JPXZRQLXAODYFF-ZBFHGGJFSA-N 1 3 394.466 0.923 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423201920 1194739088 /nfs/dbraw/zinc/73/90/88/1194739088.db2.gz JPXZRQLXAODYFF-GOEBONIOSA-N 1 3 394.466 0.923 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423219999 1194740966 /nfs/dbraw/zinc/74/09/66/1194740966.db2.gz XPTFPVDAOFUNCL-KSZLIROESA-N 1 3 380.533 0.404 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423219998 1194741158 /nfs/dbraw/zinc/74/11/58/1194741158.db2.gz XPTFPVDAOFUNCL-BZSNNMDCSA-N 1 3 380.533 0.404 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423260020 1194744459 /nfs/dbraw/zinc/74/44/59/1194744459.db2.gz GMZVYOBDDGKWNT-DOTOQJQBSA-N 1 3 380.464 0.115 20 0 GCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423503141 1194760191 /nfs/dbraw/zinc/76/01/91/1194760191.db2.gz MPZZXVZCBDBFCP-SOLBZPMBSA-N 1 3 380.533 0.545 20 0 GCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(OC)c2)C1 ZINC000423484241 1194760225 /nfs/dbraw/zinc/76/02/25/1194760225.db2.gz UEDKJFJSDOVWJL-QGZVFWFLSA-N 1 3 376.501 0.653 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000423485618 1194760244 /nfs/dbraw/zinc/76/02/44/1194760244.db2.gz VJEJEYHNBPGBFR-ZWKOTPCHSA-N 1 3 388.512 0.653 20 0 GCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423495092 1194761184 /nfs/dbraw/zinc/76/11/84/1194761184.db2.gz BPNWPBHLZIMUFB-ZIFCJYIRSA-N 1 3 394.560 0.935 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)[C@H](C[NH3+])C1 ZINC000423628637 1194775521 /nfs/dbraw/zinc/77/55/21/1194775521.db2.gz AOJAIDOSNJXPAD-JKSUJKDBSA-N 1 3 380.489 0.525 20 0 GCADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1=O ZINC000473559024 1194796950 /nfs/dbraw/zinc/79/69/50/1194796950.db2.gz CYXFGDGVIFCJKK-SLFFLAALSA-N 1 3 384.524 0.987 20 0 GCADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1=O ZINC000473559024 1194796952 /nfs/dbraw/zinc/79/69/52/1194796952.db2.gz CYXFGDGVIFCJKK-SLFFLAALSA-N 1 3 384.524 0.987 20 0 GCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000424454848 1194815127 /nfs/dbraw/zinc/81/51/27/1194815127.db2.gz MIXVBVBDFNQJFP-QGZVFWFLSA-N 1 3 387.484 0.157 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424453920 1194815139 /nfs/dbraw/zinc/81/51/39/1194815139.db2.gz KWNZEDLMDYUORY-UHFFFAOYSA-N 1 3 389.500 0.405 20 0 GCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCCO1 ZINC000424494845 1194817210 /nfs/dbraw/zinc/81/72/10/1194817210.db2.gz OLNNWYKTMHPOBG-GBESFXJTSA-N 1 3 386.496 0.296 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000424500583 1194818424 /nfs/dbraw/zinc/81/84/24/1194818424.db2.gz CVVSYWAYIIENFG-AYOQOUSVSA-N 1 3 398.511 0.310 20 0 GCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424518240 1194821426 /nfs/dbraw/zinc/82/14/26/1194821426.db2.gz HOKWXSWDBYTMJA-ROUUACIJSA-N 1 3 393.576 0.367 20 0 GCADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000414798130 1194825503 /nfs/dbraw/zinc/82/55/03/1194825503.db2.gz DYYVMZOYVYQXPA-OAHLLOKOSA-N 1 3 387.484 0.411 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000414801684 1194826972 /nfs/dbraw/zinc/82/69/72/1194826972.db2.gz ALCGESPESWCSNJ-UHFFFAOYSA-N 1 3 389.500 0.357 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000514693987 1194895155 /nfs/dbraw/zinc/89/51/55/1194895155.db2.gz UKWTYYLCXXIZMC-IEBWSBKVSA-N 1 3 391.560 0.380 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000514693987 1194895158 /nfs/dbraw/zinc/89/51/58/1194895158.db2.gz UKWTYYLCXXIZMC-IEBWSBKVSA-N 1 3 391.560 0.380 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000664475359 1194895591 /nfs/dbraw/zinc/89/55/91/1194895591.db2.gz PSBFUXJWZRRHLJ-QZTJIDSGSA-N 1 3 397.564 0.416 20 0 GCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000514886529 1194925397 /nfs/dbraw/zinc/92/53/97/1194925397.db2.gz DRNJGTDGXNMSLG-ZAWLATJESA-N 1 3 391.560 0.070 20 0 GCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000283679916 1194928890 /nfs/dbraw/zinc/92/88/90/1194928890.db2.gz FVJVLXXIENKXAM-MRXNPFEDSA-N 1 3 391.516 0.629 20 0 GCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC(OCCC[NH+](C)C)CC3)[C@@H]2C1 ZINC000425397770 1194949992 /nfs/dbraw/zinc/94/99/92/1194949992.db2.gz HCTWBYOIMXAAGC-FUHWJXTLSA-N 1 3 380.533 0.498 20 0 GCADHO Cc1ccnc(-n2nccc2NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000515493632 1194979691 /nfs/dbraw/zinc/97/96/91/1194979691.db2.gz BPNMSGTYTJFEGT-UHFFFAOYSA-N 1 3 387.488 0.466 20 0 GCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCC(=O)NC(=O)NCc1ccccc1 ZINC000436066621 1194983994 /nfs/dbraw/zinc/98/39/94/1194983994.db2.gz ZMJITXTXNFNTOC-QGZVFWFLSA-N 1 3 389.500 0.722 20 0 GCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000983373517 1195038696 /nfs/dbraw/zinc/03/86/96/1195038696.db2.gz UOGREKRETNMONG-MUIFIZLQSA-N 1 3 377.489 0.272 20 0 GCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000983373517 1195038699 /nfs/dbraw/zinc/03/86/99/1195038699.db2.gz UOGREKRETNMONG-MUIFIZLQSA-N 1 3 377.489 0.272 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C(C)(C)C(N)=O)CC3)CC2)CC1 ZINC000516980283 1195120024 /nfs/dbraw/zinc/12/00/24/1195120024.db2.gz XOFUGAXGXSJLHZ-UHFFFAOYSA-N 1 3 393.576 0.591 20 0 GCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000517047186 1195130109 /nfs/dbraw/zinc/13/01/09/1195130109.db2.gz OQBOUZKQNQSLGG-SFHVURJKSA-N 1 3 381.565 0.461 20 0 GCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000517047186 1195130112 /nfs/dbraw/zinc/13/01/12/1195130112.db2.gz OQBOUZKQNQSLGG-SFHVURJKSA-N 1 3 381.565 0.461 20 0 GCADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000517395885 1195178652 /nfs/dbraw/zinc/17/86/52/1195178652.db2.gz UCMNRMUIXFLEOX-VQTJNVASSA-N 1 3 399.539 0.273 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCC(C)CC1 ZINC000518247548 1195271084 /nfs/dbraw/zinc/27/10/84/1195271084.db2.gz FKUQRWRTKVMBQV-NEWSRXKRSA-N 1 3 394.560 0.717 20 0 GCADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000414975453 1195277476 /nfs/dbraw/zinc/27/74/76/1195277476.db2.gz LRCLHQMGKPLTNT-RHSMWYFYSA-N 1 3 387.484 0.410 20 0 GCADHO CN1CCC[C@H]1CNC(=O)C1(CC(=O)NC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC000426434373 1195334775 /nfs/dbraw/zinc/33/47/75/1195334775.db2.gz YEYOOPHIGMTGQN-SJORKVTESA-N 1 3 380.533 0.594 20 0 GCADHO CN1CCC[C@H]1CNC(=O)C1(CC(=O)NC[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000426434373 1195334780 /nfs/dbraw/zinc/33/47/80/1195334780.db2.gz YEYOOPHIGMTGQN-SJORKVTESA-N 1 3 380.533 0.594 20 0 GCADHO COc1cccc([C@@H](CNC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)N(C)C)c1 ZINC000550029560 1195408291 /nfs/dbraw/zinc/40/82/91/1195408291.db2.gz RFWMZZRDYVQELJ-MAUKXSAKSA-N 1 3 376.501 0.967 20 0 GCADHO COc1cccc([C@@H](CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)N(C)C)c1 ZINC000550029560 1195408294 /nfs/dbraw/zinc/40/82/94/1195408294.db2.gz RFWMZZRDYVQELJ-MAUKXSAKSA-N 1 3 376.501 0.967 20 0 GCADHO CCC[NH+]1CCC(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000550135899 1195446521 /nfs/dbraw/zinc/44/65/21/1195446521.db2.gz UUXHANVGNTVJRZ-KRWDZBQOSA-N 1 3 395.548 0.036 20 0 GCADHO C[NH+](C)CCOc1ccc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000519609583 1195527490 /nfs/dbraw/zinc/52/74/90/1195527490.db2.gz IOUXNRWEZSTRSO-AEFFLSMTSA-N 1 3 389.500 0.123 20 0 GCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000519704550 1195563959 /nfs/dbraw/zinc/56/39/59/1195563959.db2.gz DXMRXOHGCRNAKT-DLBZAZTESA-N 1 3 380.533 0.452 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000417025689 1195618731 /nfs/dbraw/zinc/61/87/31/1195618731.db2.gz RSPTVZKOLAALJU-FQEVSTJZSA-N 1 3 389.544 0.872 20 0 GCADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C(C)C)N1CC[NH+](C)CC1 ZINC000550383746 1195651321 /nfs/dbraw/zinc/65/13/21/1195651321.db2.gz RYWHLHVYUJIJQI-MSOLQXFVSA-N 1 3 381.565 0.173 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000331047534 1195718100 /nfs/dbraw/zinc/71/81/00/1195718100.db2.gz IYXSOHTUDNQWCN-GOSISDBHSA-N 1 3 394.541 0.675 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000331047535 1195718329 /nfs/dbraw/zinc/71/83/29/1195718329.db2.gz IYXSOHTUDNQWCN-SFHVURJKSA-N 1 3 394.541 0.675 20 0 GCADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000665143400 1195815113 /nfs/dbraw/zinc/81/51/13/1195815113.db2.gz PXFMLSYNNVHQCB-FUMNGEBKSA-N 1 3 390.528 0.840 20 0 GCADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000665143400 1195815118 /nfs/dbraw/zinc/81/51/18/1195815118.db2.gz PXFMLSYNNVHQCB-FUMNGEBKSA-N 1 3 390.528 0.840 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000520771809 1195852317 /nfs/dbraw/zinc/85/23/17/1195852317.db2.gz BSONHHSLKYSYML-MOPGFXCFSA-N 1 3 385.512 0.821 20 0 GCADHO CN1CCN(CCC(C)(C)NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000474027807 1195933347 /nfs/dbraw/zinc/93/33/47/1195933347.db2.gz AESCSUPTULZNRQ-QGZVFWFLSA-N 1 3 396.580 0.289 20 0 GCADHO CN1CCN(CCC(C)(C)NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000474027807 1195933350 /nfs/dbraw/zinc/93/33/50/1195933350.db2.gz AESCSUPTULZNRQ-QGZVFWFLSA-N 1 3 396.580 0.289 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1csc(-c2ccco2)n1 ZINC000521501387 1195998903 /nfs/dbraw/zinc/99/89/03/1195998903.db2.gz JEKFXFKAXPQATE-UHFFFAOYSA-N 1 3 393.513 0.971 20 0 GCADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000522014942 1196034211 /nfs/dbraw/zinc/03/42/11/1196034211.db2.gz RSPHNEXLOGGOED-OWYHZJEWSA-N 1 3 385.512 0.850 20 0 GCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000522014942 1196034214 /nfs/dbraw/zinc/03/42/14/1196034214.db2.gz RSPHNEXLOGGOED-OWYHZJEWSA-N 1 3 385.512 0.850 20 0 GCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000665762474 1196461444 /nfs/dbraw/zinc/46/14/44/1196461444.db2.gz FSIFUYVWYBEWQV-SZMVWBNQSA-N 1 3 380.537 0.409 20 0 GCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000665762474 1196461446 /nfs/dbraw/zinc/46/14/46/1196461446.db2.gz FSIFUYVWYBEWQV-SZMVWBNQSA-N 1 3 380.537 0.409 20 0 GCADHO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CC1=O ZINC000444461397 1196492303 /nfs/dbraw/zinc/49/23/03/1196492303.db2.gz SBWDZNMGSYQJBP-KRWDZBQOSA-N 1 3 388.512 0.992 20 0 GCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000524419718 1196594310 /nfs/dbraw/zinc/59/43/10/1196594310.db2.gz YSFHNYOBZDMLGH-OALUTQOASA-N 1 3 387.528 0.997 20 0 GCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000524419718 1196594312 /nfs/dbraw/zinc/59/43/12/1196594312.db2.gz YSFHNYOBZDMLGH-OALUTQOASA-N 1 3 387.528 0.997 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446363535 1196637850 /nfs/dbraw/zinc/63/78/50/1196637850.db2.gz MXQFHPODONYAKQ-WRWLIDTKSA-N 1 3 380.533 0.532 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446363536 1196637892 /nfs/dbraw/zinc/63/78/92/1196637892.db2.gz MXQFHPODONYAKQ-XAUMDUMWSA-N 1 3 380.533 0.532 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000446365047 1196637898 /nfs/dbraw/zinc/63/78/98/1196637898.db2.gz YQNBNRNPYNQKLK-ZFCANOHDSA-N 1 3 380.533 0.578 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000525882725 1196720507 /nfs/dbraw/zinc/72/05/07/1196720507.db2.gz TUMGCCACFCWCGL-UHFFFAOYSA-N 1 3 398.529 0.122 20 0 GCADHO CC(=O)N1CCc2cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc21 ZINC000525882722 1196720661 /nfs/dbraw/zinc/72/06/61/1196720661.db2.gz RSFJRXWGVSRITI-UHFFFAOYSA-N 1 3 389.500 0.486 20 0 GCADHO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000447436103 1196722374 /nfs/dbraw/zinc/72/23/74/1196722374.db2.gz UDNNFAJKDGQXSK-JKSUJKDBSA-N 1 3 393.557 0.800 20 0 GCADHO COc1cc(F)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1OC ZINC000526131667 1196743988 /nfs/dbraw/zinc/74/39/88/1196743988.db2.gz YIPPCESZYVZLNF-UHFFFAOYSA-N 1 3 384.452 0.733 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000527123930 1196767543 /nfs/dbraw/zinc/76/75/43/1196767543.db2.gz KPUAIBWNLYRJRL-UHFFFAOYSA-N 1 3 383.880 0.329 20 0 GCADHO O=C(NC[C@@H]1CCCCN1C1CC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418114465 1196776452 /nfs/dbraw/zinc/77/64/52/1196776452.db2.gz LXHOCZSSCRQUTO-SCTDSRPQSA-N 1 3 377.533 0.949 20 0 GCADHO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527374259 1196784436 /nfs/dbraw/zinc/78/44/36/1196784436.db2.gz YEOPPXLXXZDZBG-UHFFFAOYSA-N 1 3 398.529 0.289 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCCN(CCCO)C2)CC1=O ZINC000452385575 1197055441 /nfs/dbraw/zinc/05/54/41/1197055441.db2.gz UYAXURXXMJEQHC-RCCFBDPRSA-N 1 3 380.533 0.282 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCCN(CCCO)C2)CC1=O ZINC000452385575 1197055446 /nfs/dbraw/zinc/05/54/46/1197055446.db2.gz UYAXURXXMJEQHC-RCCFBDPRSA-N 1 3 380.533 0.282 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCCN(CCCO)C2)CC1=O ZINC000452385573 1197055784 /nfs/dbraw/zinc/05/57/84/1197055784.db2.gz UYAXURXXMJEQHC-OKZBNKHCSA-N 1 3 380.533 0.282 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCCN(CCCO)C2)CC1=O ZINC000452385573 1197055789 /nfs/dbraw/zinc/05/57/89/1197055789.db2.gz UYAXURXXMJEQHC-OKZBNKHCSA-N 1 3 380.533 0.282 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1=O ZINC000184075873 1197210553 /nfs/dbraw/zinc/21/05/53/1197210553.db2.gz MPAFHPKTAPXSLA-IPMKNSEASA-N 1 3 393.576 0.461 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1=O ZINC000184075873 1197210558 /nfs/dbraw/zinc/21/05/58/1197210558.db2.gz MPAFHPKTAPXSLA-IPMKNSEASA-N 1 3 393.576 0.461 20 0 GCADHO C[N@H+](CCN1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1)Cc1ccccc1 ZINC000188759702 1197233714 /nfs/dbraw/zinc/23/37/14/1197233714.db2.gz KKYHZEUXWZJZQN-UHFFFAOYSA-N 1 3 382.512 0.945 20 0 GCADHO C[N@@H+](CCN1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1)Cc1ccccc1 ZINC000188759702 1197233716 /nfs/dbraw/zinc/23/37/16/1197233716.db2.gz KKYHZEUXWZJZQN-UHFFFAOYSA-N 1 3 382.512 0.945 20 0 GCADHO CCN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105319294 1197326481 /nfs/dbraw/zinc/32/64/81/1197326481.db2.gz ICXAGVSEVRSMDT-MOPGFXCFSA-N 1 3 393.576 0.463 20 0 GCADHO CCN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105319294 1197326486 /nfs/dbraw/zinc/32/64/86/1197326486.db2.gz ICXAGVSEVRSMDT-MOPGFXCFSA-N 1 3 393.576 0.463 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CCn3nc4ccccn4c3=O)CC2)CC1 ZINC000111589085 1197332312 /nfs/dbraw/zinc/33/23/12/1197332312.db2.gz VFHUBUMCSYWDMJ-UHFFFAOYSA-N 1 3 386.500 0.561 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CN3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000124414683 1197352703 /nfs/dbraw/zinc/35/27/03/1197352703.db2.gz WIBVALMYYFGHNZ-UHFFFAOYSA-N 1 3 384.480 0.957 20 0 GCADHO C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001719920733 1197368403 /nfs/dbraw/zinc/36/84/03/1197368403.db2.gz ZSCCPKKSBQODHF-ZACQAIPSSA-N 1 3 380.533 0.687 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN(c4cnccn4)CC3)CC2)CC1 ZINC000051760564 1197383522 /nfs/dbraw/zinc/38/35/22/1197383522.db2.gz OLGDFXNBXVNCFP-UHFFFAOYSA-N 1 3 387.532 0.867 20 0 GCADHO C(CN1CCC[C@H]1CN1CCOCC1)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000245455360 1197404006 /nfs/dbraw/zinc/40/40/06/1197404006.db2.gz SNNNOZHJPTWLLU-SFTDATJTSA-N 1 3 380.577 0.970 20 0 GCADHO C(CN1CCC[C@H]1CN1CCOCC1)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000245455360 1197404007 /nfs/dbraw/zinc/40/40/07/1197404007.db2.gz SNNNOZHJPTWLLU-SFTDATJTSA-N 1 3 380.577 0.970 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419349998 1197417749 /nfs/dbraw/zinc/41/77/49/1197417749.db2.gz YYJQEDRZZOKMIU-IBGZPJMESA-N 1 3 387.528 0.294 20 0 GCADHO COC(=O)CNC(=O)[C@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000533484700 1197454809 /nfs/dbraw/zinc/45/48/09/1197454809.db2.gz QZOFBFSWSXXBKQ-INIZCTEOSA-N 1 3 382.549 0.792 20 0 GCADHO CCNC(=O)COc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000262129411 1197525774 /nfs/dbraw/zinc/52/57/74/1197525774.db2.gz NQSDAWIERYNUJR-QGZVFWFLSA-N 1 3 376.501 0.690 20 0 GCADHO COC(=O)C1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000542851940 1199078181 /nfs/dbraw/zinc/07/81/81/1199078181.db2.gz MXTWOGXJEDIEEL-UHFFFAOYSA-N 1 3 396.532 0.814 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000465852695 1199087502 /nfs/dbraw/zinc/08/75/02/1199087502.db2.gz XICHUZFVTXIJJK-ROUUACIJSA-N 1 3 397.564 0.681 20 0 GCADHO CC(C)[C@H](CNC(=O)NC1CCN(CC(=O)N(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000109393215 1199096665 /nfs/dbraw/zinc/09/66/65/1199096665.db2.gz JABWTGAOPOUYCZ-SFHVURJKSA-N 1 3 396.580 0.110 20 0 GCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C4CCCC4)CC3)C2)CC1 ZINC000672642956 1199303796 /nfs/dbraw/zinc/30/37/96/1199303796.db2.gz YOEXOABSFSDPSK-QGZVFWFLSA-N 1 3 391.560 0.358 20 0 GCADHO CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672642615 1199304365 /nfs/dbraw/zinc/30/43/65/1199304365.db2.gz PTOYEVIUAZBXNZ-QGZVFWFLSA-N 1 3 379.549 0.071 20 0 GCADHO CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672642615 1199304371 /nfs/dbraw/zinc/30/43/71/1199304371.db2.gz PTOYEVIUAZBXNZ-QGZVFWFLSA-N 1 3 379.549 0.071 20 0 GCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C4CCCC4)CC3)C2)CC1 ZINC000672642955 1199304446 /nfs/dbraw/zinc/30/44/46/1199304446.db2.gz YOEXOABSFSDPSK-KRWDZBQOSA-N 1 3 391.560 0.358 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1(C)C ZINC000672854508 1199352270 /nfs/dbraw/zinc/35/22/70/1199352270.db2.gz HLPQLINSUCVOCT-SJORKVTESA-N 1 3 379.549 0.071 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1(C)C ZINC000672854508 1199352277 /nfs/dbraw/zinc/35/22/77/1199352277.db2.gz HLPQLINSUCVOCT-SJORKVTESA-N 1 3 379.549 0.071 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446302 1199659127 /nfs/dbraw/zinc/65/91/27/1199659127.db2.gz VGEPWBRCMKARBG-DLBZAZTESA-N 1 3 382.549 0.792 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446302 1199659133 /nfs/dbraw/zinc/65/91/33/1199659133.db2.gz VGEPWBRCMKARBG-DLBZAZTESA-N 1 3 382.549 0.792 20 0 GCADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000157467449 1199918346 /nfs/dbraw/zinc/91/83/46/1199918346.db2.gz ILYDWOPKRZFWHP-QZTJIDSGSA-N 1 3 382.549 0.839 20 0 GCADHO COC1CCN(CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000674329284 1200222356 /nfs/dbraw/zinc/22/23/56/1200222356.db2.gz YQVKPYDSEJBDBR-UHFFFAOYSA-N 1 3 383.537 0.339 20 0 GCADHO COC(=O)Cn1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000444863766 1200799891 /nfs/dbraw/zinc/79/98/91/1200799891.db2.gz ZITSLFQMTSCOCD-UHFFFAOYSA-N 1 3 378.477 0.736 20 0 GCADHO [NH3+]CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000923489108 1201042924 /nfs/dbraw/zinc/04/29/24/1201042924.db2.gz OEAFJOKOGWXPSL-HNNXBMFYSA-N 1 3 398.504 0.329 20 0 GCADHO CCN1CCN(Cc2ccccc2CNS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923588463 1201169190 /nfs/dbraw/zinc/16/91/90/1201169190.db2.gz ZBKRBQWFNFEBCT-UHFFFAOYSA-N 1 3 381.546 0.064 20 0 GCADHO C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1NCc1cnnn1C ZINC001082518196 1201336155 /nfs/dbraw/zinc/33/61/55/1201336155.db2.gz DTWJWEUBRZJLIV-AXUOBQJMSA-N 1 3 390.532 0.499 20 0 GCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000735588748 1201694042 /nfs/dbraw/zinc/69/40/42/1201694042.db2.gz CKWXUGUKEQSPRR-CVEARBPZSA-N 1 3 390.484 0.675 20 0 GCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000735588748 1201694044 /nfs/dbraw/zinc/69/40/44/1201694044.db2.gz CKWXUGUKEQSPRR-CVEARBPZSA-N 1 3 390.484 0.675 20 0 GCADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[NH+]1CCC(C)CC1 ZINC000787613629 1205395077 /nfs/dbraw/zinc/39/50/77/1205395077.db2.gz AUOLLPGTNADBRJ-IPMKNSEASA-N 1 3 394.560 0.839 20 0 GCADHO C[N@H+](CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CCCCC1 ZINC000787688602 1205398853 /nfs/dbraw/zinc/39/88/53/1205398853.db2.gz KAWQQFXJSAHBPC-QZTJIDSGSA-N 1 3 380.533 0.737 20 0 GCADHO C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CCCCC1 ZINC000787688602 1205398857 /nfs/dbraw/zinc/39/88/57/1205398857.db2.gz KAWQQFXJSAHBPC-QZTJIDSGSA-N 1 3 380.533 0.737 20 0 GCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000787910565 1205407037 /nfs/dbraw/zinc/40/70/37/1205407037.db2.gz ONZYQTSVHOUDJC-KURKYZTESA-N 1 3 380.533 0.594 20 0 GCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000787910565 1205407041 /nfs/dbraw/zinc/40/70/41/1205407041.db2.gz ONZYQTSVHOUDJC-KURKYZTESA-N 1 3 380.533 0.594 20 0 GCADHO Cn1nc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2N)ccc1=O ZINC001170391633 1205491304 /nfs/dbraw/zinc/49/13/04/1205491304.db2.gz CYNISAWBMLSMPY-TZUPDSNESA-N 1 3 397.520 0.054 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H](N)[C@@H]([N+](=c2ccccn2C)[C@@H](O)OC(C)(C)C)C1 ZINC001170389498 1205491383 /nfs/dbraw/zinc/49/13/83/1205491383.db2.gz QZBYNZAHYQAYEU-QAGGRKNESA-N 1 3 381.541 0.785 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCCCC1 ZINC000793727568 1205503760 /nfs/dbraw/zinc/50/37/60/1205503760.db2.gz UFQPSOPNZFXZRA-QRQLOZEOSA-N 1 3 394.560 0.861 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)N1CCCCC1 ZINC000793699101 1205504396 /nfs/dbraw/zinc/50/43/96/1205504396.db2.gz LTCCEUUFRRYBLW-QGZVFWFLSA-N 1 3 393.576 0.652 20 0 GCADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000793872027 1205508424 /nfs/dbraw/zinc/50/84/24/1205508424.db2.gz WRDMURGCGTUVHR-RTBURBONSA-N 1 3 388.512 0.734 20 0 GCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000793872027 1205508425 /nfs/dbraw/zinc/50/84/25/1205508425.db2.gz WRDMURGCGTUVHR-RTBURBONSA-N 1 3 388.512 0.734 20 0 GCADHO Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000806239419 1205552494 /nfs/dbraw/zinc/55/24/94/1205552494.db2.gz PHEBGZAUCVAFSD-QGZVFWFLSA-N 1 3 376.505 0.230 20 0 GCADHO O=C(CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)NCC[NH+]1CCCCCC1 ZINC000814296862 1205689181 /nfs/dbraw/zinc/68/91/81/1205689181.db2.gz MLKJNZSVSCYHJT-IAGOWNOFSA-N 1 3 381.521 0.141 20 0 GCADHO O=C(CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)NCC[NH+]1CCCCCC1 ZINC000814296864 1205689253 /nfs/dbraw/zinc/68/92/53/1205689253.db2.gz MLKJNZSVSCYHJT-SJORKVTESA-N 1 3 381.521 0.141 20 0 GCADHO CNC(=O)CO[C@@H]1CO[C@]2(C1)CCCN(C1CC[NH+](CCCOC)CC1)C2 ZINC001172251043 1205715126 /nfs/dbraw/zinc/71/51/26/1205715126.db2.gz LEVHZSBTKLMKKC-ICSRJNTNSA-N 1 3 383.533 0.873 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cnc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001176836373 1205756038 /nfs/dbraw/zinc/75/60/38/1205756038.db2.gz HETQCCPSAOCPGR-ADBDHWBDSA-N 1 3 397.520 0.248 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccon2)[C@H](O)OC(C)(C)C)C1 ZINC001177516946 1205770851 /nfs/dbraw/zinc/77/08/51/1205770851.db2.gz QNHXQHKCMVUPAB-LZDZAVHKSA-N 1 3 398.504 0.513 20 0 GCADHO CO[C@H](C)CC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001181601934 1205847335 /nfs/dbraw/zinc/84/73/35/1205847335.db2.gz SARUGUZCFSLKQO-DNTJOWKISA-N 1 3 389.537 0.707 20 0 GCADHO CN1CCC(O)(C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001182031078 1205853849 /nfs/dbraw/zinc/85/38/49/1205853849.db2.gz LHNIJGKERPZREQ-KSSFIOAISA-N 1 3 378.448 0.531 20 0 GCADHO C[NH+]1CCC(O)(C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2)CC1 ZINC001182031665 1205854039 /nfs/dbraw/zinc/85/40/39/1205854039.db2.gz CLOXUDNFYCAPSY-CVEARBPZSA-N 1 3 396.532 0.501 20 0 GCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000774925730 1205928571 /nfs/dbraw/zinc/92/85/71/1205928571.db2.gz VPMHOBPXWPIVRX-QYZOEREBSA-N 1 3 388.512 0.255 20 0 GCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000774925730 1205928573 /nfs/dbraw/zinc/92/85/73/1205928573.db2.gz VPMHOBPXWPIVRX-QYZOEREBSA-N 1 3 388.512 0.255 20 0 GCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000774925728 1205928698 /nfs/dbraw/zinc/92/86/98/1205928698.db2.gz VPMHOBPXWPIVRX-GBESFXJTSA-N 1 3 388.512 0.255 20 0 GCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000774925728 1205928699 /nfs/dbraw/zinc/92/86/99/1205928699.db2.gz VPMHOBPXWPIVRX-GBESFXJTSA-N 1 3 388.512 0.255 20 0 GCADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3c(n1)CCNC3)CCC2 ZINC001164815453 720214224 /nfs/dbraw/zinc/21/42/24/720214224.db2.gz ZLEIUIJRNFKFCH-UHFFFAOYSA-N 1 3 383.500 0.930 20 0 GCADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3c(n1)CCNC3)CCC2 ZINC001164815453 720214236 /nfs/dbraw/zinc/21/42/36/720214236.db2.gz ZLEIUIJRNFKFCH-UHFFFAOYSA-N 1 3 383.500 0.930 20 0 GCADHO c1ncc(O[C@@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CCN3C2)cn1 ZINC001164743763 720707745 /nfs/dbraw/zinc/70/77/45/720707745.db2.gz YEVVOGOAQGTIBQ-HZPDHXFCSA-N 1 3 382.472 0.018 20 0 GCADHO c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nnc1OC1CC[NH2+]CC1 ZINC001164745812 720768658 /nfs/dbraw/zinc/76/86/58/720768658.db2.gz VWPROYGSYWMZFD-RDJZCZTQSA-N 1 3 397.483 0.739 20 0 GCADHO Cn1cc(CN2CC[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164765249 721092223 /nfs/dbraw/zinc/09/22/23/721092223.db2.gz ISQIVZBTTDRVQI-ROUUACIJSA-N 1 3 382.516 0.578 20 0 GCADHO c1cncc(CO[C@@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CCN3C2)c1 ZINC001164862833 721096075 /nfs/dbraw/zinc/09/60/75/721096075.db2.gz BBAZJHGPUGQPAP-RBUKOAKNSA-N 1 3 395.511 0.761 20 0 GCADHO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)C12CC[NH+](CC1)C2 ZINC001571260424 945413728 /nfs/dbraw/zinc/41/37/28/945413728.db2.gz SIWSFTIXJVWUFQ-SHTZXODSSA-N 1 3 385.447 0.838 20 0 GCADHO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)C12CC[NH+](CC1)C2 ZINC001571260424 945413734 /nfs/dbraw/zinc/41/37/34/945413734.db2.gz SIWSFTIXJVWUFQ-SHTZXODSSA-N 1 3 385.447 0.838 20 0 GCADHO Cc1cc(N[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571271603 945645927 /nfs/dbraw/zinc/64/59/27/945645927.db2.gz FLTNINFEPNOJAN-JLZZUVOBSA-N 1 3 386.504 0.837 20 0 GCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001571283116 945875276 /nfs/dbraw/zinc/87/52/76/945875276.db2.gz ZMLLCBRRUOTMFQ-XEZPLFJOSA-N 1 3 387.463 0.942 20 0 GCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001571283116 945875281 /nfs/dbraw/zinc/87/52/81/945875281.db2.gz ZMLLCBRRUOTMFQ-XEZPLFJOSA-N 1 3 387.463 0.942 20 0 GCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001571283116 945875290 /nfs/dbraw/zinc/87/52/90/945875290.db2.gz ZMLLCBRRUOTMFQ-XEZPLFJOSA-N 1 3 387.463 0.942 20 0 GCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001571283116 945875297 /nfs/dbraw/zinc/87/52/97/945875297.db2.gz ZMLLCBRRUOTMFQ-XEZPLFJOSA-N 1 3 387.463 0.942 20 0 GCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711826 949556751 /nfs/dbraw/zinc/55/67/51/949556751.db2.gz MRENOUYMJBLSBO-STQMWFEESA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711826 949556765 /nfs/dbraw/zinc/55/67/65/949556765.db2.gz MRENOUYMJBLSBO-STQMWFEESA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079054 951687636 /nfs/dbraw/zinc/68/76/36/951687636.db2.gz PARHETRKTCNTMJ-CYBMUJFWSA-N 1 3 387.463 0.944 20 0 GCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079054 951687639 /nfs/dbraw/zinc/68/76/39/951687639.db2.gz PARHETRKTCNTMJ-CYBMUJFWSA-N 1 3 387.463 0.944 20 0 GCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081708 951725119 /nfs/dbraw/zinc/72/51/19/951725119.db2.gz RTKFHYBAXPIOQW-OCCSQVGLSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081708 951725124 /nfs/dbraw/zinc/72/51/24/951725124.db2.gz RTKFHYBAXPIOQW-OCCSQVGLSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081708 951725128 /nfs/dbraw/zinc/72/51/28/951725128.db2.gz RTKFHYBAXPIOQW-OCCSQVGLSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081708 951725133 /nfs/dbraw/zinc/72/51/33/951725133.db2.gz RTKFHYBAXPIOQW-OCCSQVGLSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575091654 951781051 /nfs/dbraw/zinc/78/10/51/951781051.db2.gz TZOPZJJBLXDMNE-TZMCWYRMSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575091654 951781057 /nfs/dbraw/zinc/78/10/57/951781057.db2.gz TZOPZJJBLXDMNE-TZMCWYRMSA-N 1 3 375.452 0.894 20 0 GCADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001571190463 952942060 /nfs/dbraw/zinc/94/20/60/952942060.db2.gz JIKFQRSSFVLMHE-FGTMMUONSA-N 1 3 381.484 0.945 20 0 GCADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001571190463 952942067 /nfs/dbraw/zinc/94/20/67/952942067.db2.gz JIKFQRSSFVLMHE-FGTMMUONSA-N 1 3 381.484 0.945 20 0 GCADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000642909205 530265077 /nfs/dbraw/zinc/26/50/77/530265077.db2.gz IJLRJEWHTZILPH-GFCCVEGCSA-N 1 3 385.306 0.803 20 0 GCADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423187282 531017488 /nfs/dbraw/zinc/01/74/88/531017488.db2.gz XVAWYFAESPUDFU-UHFFFAOYSA-N 1 3 385.306 0.756 20 0 GCADHO C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000736769945 598523170 /nfs/dbraw/zinc/52/31/70/598523170.db2.gz XUZXIMFZRGRXBO-OAHLLOKOSA-N 1 3 397.487 0.835 20 0 GCADHO C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000736769945 598523172 /nfs/dbraw/zinc/52/31/72/598523172.db2.gz XUZXIMFZRGRXBO-OAHLLOKOSA-N 1 3 397.487 0.835 20 0 GCADHO C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736771427 598528011 /nfs/dbraw/zinc/52/80/11/598528011.db2.gz LEQIETBKGJKIOA-AWEZNQCLSA-N 1 3 397.487 0.835 20 0 GCADHO C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736771427 598528013 /nfs/dbraw/zinc/52/80/13/598528013.db2.gz LEQIETBKGJKIOA-AWEZNQCLSA-N 1 3 397.487 0.835 20 0 GCADHO Cn1ncc(I)c1CN[C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925727521 641915790 /nfs/dbraw/zinc/91/57/90/641915790.db2.gz GWLWQZSPHKJJDS-WEPVZDJVSA-N 1 3 376.242 0.867 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000661979458 1192210684 /nfs/dbraw/zinc/21/06/84/1192210684.db2.gz XIDMSUYMKRRVFO-GOSISDBHSA-N 1 3 393.532 0.189 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000661980362 1192211328 /nfs/dbraw/zinc/21/13/28/1192211328.db2.gz AUROIRUNCWJPKQ-QYZOEREBSA-N 1 3 380.533 0.917 20 0 GCADHO COCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC000636676513 1192256502 /nfs/dbraw/zinc/25/65/02/1192256502.db2.gz JHRKSUQHXDATOC-RBUKOAKNSA-N 1 3 388.512 0.522 20 0 GCADHO COCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000636676513 1192256504 /nfs/dbraw/zinc/25/65/04/1192256504.db2.gz JHRKSUQHXDATOC-RBUKOAKNSA-N 1 3 388.512 0.522 20 0 GCADHO COCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000636676513 1192256507 /nfs/dbraw/zinc/25/65/07/1192256507.db2.gz JHRKSUQHXDATOC-RBUKOAKNSA-N 1 3 388.512 0.522 20 0 GCADHO O=c1cc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)[nH]c2ccnn21 ZINC000662338768 1192285089 /nfs/dbraw/zinc/28/50/89/1192285089.db2.gz VUFDHPCQEHYMAT-AWEZNQCLSA-N 1 3 382.472 0.535 20 0 GCADHO O=C(NCCN1CC[C@H](O)C1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000636732575 1192291563 /nfs/dbraw/zinc/29/15/63/1192291563.db2.gz JBYZSCKYLJGGLN-IBGZPJMESA-N 1 3 376.501 0.509 20 0 GCADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000162575946 1192297800 /nfs/dbraw/zinc/29/78/00/1192297800.db2.gz SKICPJRIYNHECZ-SFHVURJKSA-N 1 3 379.549 0.214 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](c2ccccc2)O1 ZINC000563147621 1192360728 /nfs/dbraw/zinc/36/07/28/1192360728.db2.gz PFNCOBUZSGYSLC-HKUYNNGSSA-N 1 3 390.528 0.927 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CSCC(=O)N3CCOCC3)CC2)CC1 ZINC000050802783 1192502096 /nfs/dbraw/zinc/50/20/96/1192502096.db2.gz VRFDOZDOAGKKRN-UHFFFAOYSA-N 1 3 398.573 0.253 20 0 GCADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000512250870 1192575076 /nfs/dbraw/zinc/57/50/76/1192575076.db2.gz WCRISMURGQFXKT-MRXNPFEDSA-N 1 3 392.500 0.722 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000637477405 1192591161 /nfs/dbraw/zinc/59/11/61/1192591161.db2.gz UAEUXESSJVGTKM-MSOLQXFVSA-N 1 3 377.533 0.951 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000637477405 1192591164 /nfs/dbraw/zinc/59/11/64/1192591164.db2.gz UAEUXESSJVGTKM-MSOLQXFVSA-N 1 3 377.533 0.951 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CCSC1 ZINC000652685618 1192611289 /nfs/dbraw/zinc/61/12/89/1192611289.db2.gz PQUQXHQQVUKHQF-RCJHGTSTSA-N 1 3 398.573 0.285 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CCSC1 ZINC000652685615 1192611344 /nfs/dbraw/zinc/61/13/44/1192611344.db2.gz PQUQXHQQVUKHQF-FPXQBCRKSA-N 1 3 398.573 0.285 20 0 GCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418782784 1192644815 /nfs/dbraw/zinc/64/48/15/1192644815.db2.gz NPRHUEHNHLNPKO-QGZVFWFLSA-N 1 3 375.517 0.559 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(c3ccccc3)CC2)C[C@H]1[NH3+] ZINC000418782339 1192644830 /nfs/dbraw/zinc/64/48/30/1192644830.db2.gz NHLGTCREZKJKBO-PKOBYXMFSA-N 1 3 387.528 0.511 20 0 GCADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418785578 1192643749 /nfs/dbraw/zinc/64/37/49/1192643749.db2.gz RFMNVQXUQVXMAH-GOSISDBHSA-N 1 3 387.528 0.573 20 0 GCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418789778 1192646359 /nfs/dbraw/zinc/64/63/59/1192646359.db2.gz WWUHHQMONGZMCS-LJQANCHMSA-N 1 3 389.544 0.805 20 0 GCADHO COc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)N(C)C)cc1OC ZINC000418828442 1192658381 /nfs/dbraw/zinc/65/83/81/1192658381.db2.gz HYXYLLMDWQUSDJ-DZGCQCFKSA-N 1 3 378.473 0.243 20 0 GCADHO NC1(CNC(=O)C(=O)NCCn2cccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000418842675 1192663790 /nfs/dbraw/zinc/66/37/90/1192663790.db2.gz IVJCDPQNGQSQRV-UHFFFAOYSA-N 1 3 384.484 0.109 20 0 GCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000418869418 1192672989 /nfs/dbraw/zinc/67/29/89/1192672989.db2.gz XDMALWIZKGGVAU-ROUUACIJSA-N 1 3 376.501 0.680 20 0 GCADHO C[C@H]([NH2+]C1(CNC(=O)C(=O)NC[C@H]2CNCCO2)CCCC1)c1ccccc1 ZINC000418870391 1192673688 /nfs/dbraw/zinc/67/36/88/1192673688.db2.gz UAIAEUYWWXYVIJ-FUHWJXTLSA-N 1 3 388.512 0.871 20 0 GCADHO CC1CCN([C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000418929350 1192693829 /nfs/dbraw/zinc/69/38/29/1192693829.db2.gz FDCBMUBVHHWMJX-MOPGFXCFSA-N 1 3 388.512 0.762 20 0 GCADHO CC1CCN([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c2ccccc2)CC1 ZINC000418937413 1192694461 /nfs/dbraw/zinc/69/44/61/1192694461.db2.gz LCYXLNWRKLGSPY-RTBURBONSA-N 1 3 388.512 0.680 20 0 GCADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419030519 1192732594 /nfs/dbraw/zinc/73/25/94/1192732594.db2.gz HRWLWLXZGVWDNA-MRXNPFEDSA-N 1 3 382.574 0.970 20 0 GCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)CCCO1 ZINC000419039866 1192737575 /nfs/dbraw/zinc/73/75/75/1192737575.db2.gz VVJNMNAOOFKMBE-MRXNPFEDSA-N 1 3 398.573 0.431 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000419044393 1192738108 /nfs/dbraw/zinc/73/81/08/1192738108.db2.gz PTLYAGKIKCDDBN-ZBFHGGJFSA-N 1 3 384.521 0.221 20 0 GCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1cccc(OC)c1 ZINC000419074760 1192773102 /nfs/dbraw/zinc/77/31/02/1192773102.db2.gz MGSQYRUIKYCWOQ-ROUUACIJSA-N 1 3 392.500 0.299 20 0 GCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000419081724 1192778052 /nfs/dbraw/zinc/77/80/52/1192778052.db2.gz ORMMYZGVOMYHIR-QZTJIDSGSA-N 1 3 392.500 0.380 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN(C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419114722 1192800966 /nfs/dbraw/zinc/80/09/66/1192800966.db2.gz SIGUHFKXZVTEDG-KBAYOESNSA-N 1 3 376.501 0.588 20 0 GCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419131505 1192805725 /nfs/dbraw/zinc/80/57/25/1192805725.db2.gz AGXFFFHPFNOSOI-AEFFLSMTSA-N 1 3 376.501 0.508 20 0 GCADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)C(C)(C)C ZINC000419131843 1192806423 /nfs/dbraw/zinc/80/64/23/1192806423.db2.gz HAFZNYWBPJTKFO-HZPDHXFCSA-N 1 3 393.536 0.383 20 0 GCADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CCN(Cc2ccccc2)CC1 ZINC000419131752 1192806758 /nfs/dbraw/zinc/80/67/58/1192806758.db2.gz DFSVMDLUFJTAPW-GOSISDBHSA-N 1 3 399.539 0.449 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419159191 1192818219 /nfs/dbraw/zinc/81/82/19/1192818219.db2.gz YZLOTUVUQZIZNA-GDBMZVCRSA-N 1 3 392.500 0.472 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)N1CCC(C)CC1 ZINC000419160344 1192818975 /nfs/dbraw/zinc/81/89/75/1192818975.db2.gz PSPYZJOGRIMVPY-QRQLOZEOSA-N 1 3 394.560 0.968 20 0 GCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419161878 1192820443 /nfs/dbraw/zinc/82/04/43/1192820443.db2.gz FLYOSSSQSQOQRU-NEWSRXKRSA-N 1 3 388.512 0.650 20 0 GCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419161667 1192820822 /nfs/dbraw/zinc/82/08/22/1192820822.db2.gz FAUFSADPXUNKHF-MOPGFXCFSA-N 1 3 388.512 0.604 20 0 GCADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419164130 1192821431 /nfs/dbraw/zinc/82/14/31/1192821431.db2.gz LIIAUVZIEHWYQT-OTWHNJEPSA-N 1 3 386.496 0.072 20 0 GCADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419165302 1192822329 /nfs/dbraw/zinc/82/23/29/1192822329.db2.gz NILSWADMZLPTFD-MJGOQNOKSA-N 1 3 388.512 0.510 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[NH+]1CCC(C)CC1 ZINC000419156276 1192824343 /nfs/dbraw/zinc/82/43/43/1192824343.db2.gz JDWWCAOQHZNGOY-WBVHZDCISA-N 1 3 391.520 0.137 20 0 GCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419169671 1192824654 /nfs/dbraw/zinc/82/46/54/1192824654.db2.gz VALZIDQFFPTVHT-ROUUACIJSA-N 1 3 376.501 0.493 20 0 GCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419169670 1192825150 /nfs/dbraw/zinc/82/51/50/1192825150.db2.gz VALZIDQFFPTVHT-QZTJIDSGSA-N 1 3 376.501 0.493 20 0 GCADHO [NH3+]CC1CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000419171178 1192825607 /nfs/dbraw/zinc/82/56/07/1192825607.db2.gz XEIDPIWNIIXEPS-LJQANCHMSA-N 1 3 388.512 0.591 20 0 GCADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419167985 1192829697 /nfs/dbraw/zinc/82/96/97/1192829697.db2.gz RFIUOXIMFNAYCR-MOPGFXCFSA-N 1 3 388.512 0.652 20 0 GCADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419196005 1192832985 /nfs/dbraw/zinc/83/29/85/1192832985.db2.gz AEFWIUKVPMTHDX-QFBILLFUSA-N 1 3 388.512 0.782 20 0 GCADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419196005 1192832991 /nfs/dbraw/zinc/83/29/91/1192832991.db2.gz AEFWIUKVPMTHDX-QFBILLFUSA-N 1 3 388.512 0.782 20 0 GCADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3CNCCO3)cc2)C1 ZINC000419196020 1192833101 /nfs/dbraw/zinc/83/31/01/1192833101.db2.gz AGWKSLIEDLBJJT-VQIMIIECSA-N 1 3 388.512 0.639 20 0 GCADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3CNCCO3)cc2)C1 ZINC000419196020 1192833105 /nfs/dbraw/zinc/83/31/05/1192833105.db2.gz AGWKSLIEDLBJJT-VQIMIIECSA-N 1 3 388.512 0.639 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000419181051 1192833879 /nfs/dbraw/zinc/83/38/79/1192833879.db2.gz KLOLVNHWCZUCRF-ROUUACIJSA-N 1 3 393.576 0.509 20 0 GCADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)C(=O)NC[C@H]1CNCCO1 ZINC000419203127 1192840728 /nfs/dbraw/zinc/84/07/28/1192840728.db2.gz HKVXVVYIAFYACN-LJQANCHMSA-N 1 3 388.512 0.783 20 0 GCADHO CC(=O)NC[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000332854646 1192905932 /nfs/dbraw/zinc/90/59/32/1192905932.db2.gz CASRHVPTWAUIRD-SFHVURJKSA-N 1 3 381.521 0.092 20 0 GCADHO C[C@@H]1CN(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H](C)CO1 ZINC000663876664 1192916718 /nfs/dbraw/zinc/91/67/18/1192916718.db2.gz KFXRYRIHJZYZHK-DLBZAZTESA-N 1 3 381.565 0.953 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654730177 1184109933 /nfs/dbraw/zinc/10/99/33/1184109933.db2.gz MNONUMVAQYVSNR-RCCFBDPRSA-N 1 3 377.533 0.951 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654730177 1184109935 /nfs/dbraw/zinc/10/99/35/1184109935.db2.gz MNONUMVAQYVSNR-RCCFBDPRSA-N 1 3 377.533 0.951 20 0 GCADHO CC(C)[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)N1CCN(C)CC1 ZINC000109166234 1184330804 /nfs/dbraw/zinc/33/08/04/1184330804.db2.gz UNHYPDYNKLGBRR-OALUTQOASA-N 1 3 383.581 0.650 20 0 GCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419171792 1184572232 /nfs/dbraw/zinc/57/22/32/1184572232.db2.gz YFYYHOPCOBYFFD-GUDVDZBRSA-N 1 3 388.512 0.780 20 0 GCADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1=O ZINC001648837573 1184838508 /nfs/dbraw/zinc/83/85/08/1184838508.db2.gz VMTZWQZDZHJORJ-IRXDYDNUSA-N 1 3 389.500 0.203 20 0 GCADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000580172931 1185104860 /nfs/dbraw/zinc/10/48/60/1185104860.db2.gz MQMONIICODGBLH-OALUTQOASA-N 1 3 375.517 0.480 20 0 GCADHO CC(C)Nc1nc(NCCO)nc(NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000580342685 1185179291 /nfs/dbraw/zinc/17/92/91/1185179291.db2.gz IDPKRBXSBAACJC-UHFFFAOYSA-N 1 3 385.516 0.222 20 0 GCADHO CC(C)Nc1nc(NCCO)nc(NCCC[N@H+]2CCc3ccccc3C2)n1 ZINC000580342685 1185179296 /nfs/dbraw/zinc/17/92/96/1185179296.db2.gz IDPKRBXSBAACJC-UHFFFAOYSA-N 1 3 385.516 0.222 20 0 GCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCCO1 ZINC000580354454 1185196549 /nfs/dbraw/zinc/19/65/49/1185196549.db2.gz DXLKCMMDLLLCFZ-MSOLQXFVSA-N 1 3 380.533 0.690 20 0 GCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCCO1 ZINC000580354454 1185196551 /nfs/dbraw/zinc/19/65/51/1185196551.db2.gz DXLKCMMDLLLCFZ-MSOLQXFVSA-N 1 3 380.533 0.690 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCN3CCCS3(=O)=O)CC2)CC1 ZINC000580463241 1185239002 /nfs/dbraw/zinc/23/90/02/1185239002.db2.gz JCVMPJHZYUBLQS-UHFFFAOYSA-N 1 3 386.562 0.334 20 0 GCADHO Cc1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000580466767 1185239549 /nfs/dbraw/zinc/23/95/49/1185239549.db2.gz MGEDRQHDZCVYFP-GJZGRUSLSA-N 1 3 375.473 0.711 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCCC[NH2+]CCOC)c2)CC1 ZINC000275902688 1185260181 /nfs/dbraw/zinc/26/01/81/1185260181.db2.gz PIAAMJFRTMKKNV-UHFFFAOYSA-N 1 3 391.516 0.509 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000419348049 1185271336 /nfs/dbraw/zinc/27/13/36/1185271336.db2.gz XJSRRMGAILWLHF-UHFFFAOYSA-N 1 3 375.517 0.118 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N(C)CC[NH2+]C)cc2)CC1 ZINC000419348659 1185272239 /nfs/dbraw/zinc/27/22/39/1185272239.db2.gz XVQFYBZDFJUMQQ-UHFFFAOYSA-N 1 3 375.517 0.118 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ncoc1-c1ccccc1 ZINC000580602852 1185286488 /nfs/dbraw/zinc/28/64/88/1185286488.db2.gz GEHIYLCKIMJQLJ-UHFFFAOYSA-N 1 3 387.484 0.910 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000580737290 1185320431 /nfs/dbraw/zinc/32/04/31/1185320431.db2.gz PMCAXUQLCVLVFL-RBUKOAKNSA-N 1 3 394.560 0.813 20 0 GCADHO CCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000656287074 1185325357 /nfs/dbraw/zinc/32/53/57/1185325357.db2.gz XYGMQOAKUKBORX-QGZVFWFLSA-N 1 3 382.549 0.792 20 0 GCADHO CCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000656287074 1185325364 /nfs/dbraw/zinc/32/53/64/1185325364.db2.gz XYGMQOAKUKBORX-QGZVFWFLSA-N 1 3 382.549 0.792 20 0 GCADHO C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1(C)C ZINC000656316955 1185402986 /nfs/dbraw/zinc/40/29/86/1185402986.db2.gz AXFXQWSEDYIQCL-DLBZAZTESA-N 1 3 379.549 0.262 20 0 GCADHO C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1(C)C ZINC000656316955 1185402989 /nfs/dbraw/zinc/40/29/89/1185402989.db2.gz AXFXQWSEDYIQCL-DLBZAZTESA-N 1 3 379.549 0.262 20 0 GCADHO C[C@@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C(=O)NCC[NH+](C)C ZINC000580915506 1185417309 /nfs/dbraw/zinc/41/73/09/1185417309.db2.gz WVVLFFLEOCXXQC-QGZVFWFLSA-N 1 3 375.517 0.381 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnccc1OC ZINC000276010364 1185460385 /nfs/dbraw/zinc/46/03/85/1185460385.db2.gz LYENAKNWSVXUPH-HNNXBMFYSA-N 1 3 377.489 0.903 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnccc1OC ZINC000276010364 1185460389 /nfs/dbraw/zinc/46/03/89/1185460389.db2.gz LYENAKNWSVXUPH-HNNXBMFYSA-N 1 3 377.489 0.903 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccnc1OC ZINC000276039343 1185516227 /nfs/dbraw/zinc/51/62/27/1185516227.db2.gz PCZNEOKDZSZDST-OAHLLOKOSA-N 1 3 377.489 0.903 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccnc1OC ZINC000276039343 1185516231 /nfs/dbraw/zinc/51/62/31/1185516231.db2.gz PCZNEOKDZSZDST-OAHLLOKOSA-N 1 3 377.489 0.903 20 0 GCADHO CCc1nn(C)cc1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000276094862 1185567575 /nfs/dbraw/zinc/56/75/75/1185567575.db2.gz VVAJPWWRBSVJEI-HNNXBMFYSA-N 1 3 378.521 0.796 20 0 GCADHO CCc1nn(C)cc1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000276094862 1185567581 /nfs/dbraw/zinc/56/75/81/1185567581.db2.gz VVAJPWWRBSVJEI-HNNXBMFYSA-N 1 3 378.521 0.796 20 0 GCADHO COc1ccc(NC(=O)C[NH2+][C@@](C)(CN)C(C)C)cc1S(=O)(=O)N(C)C ZINC000430554528 1185586266 /nfs/dbraw/zinc/58/62/66/1185586266.db2.gz NMIITIPIGQJQSL-KRWDZBQOSA-N 1 3 386.518 0.847 20 0 GCADHO [NH3+]CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000430605010 1185694468 /nfs/dbraw/zinc/69/44/68/1185694468.db2.gz RXIHIHYAZQWKIU-UHFFFAOYSA-N 1 3 380.514 0.190 20 0 GCADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1F ZINC000430606007 1185700156 /nfs/dbraw/zinc/70/01/56/1185700156.db2.gz VEVDTSRTINSEKG-HOCLYGCPSA-N 1 3 394.491 0.968 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891482576 1185887135 /nfs/dbraw/zinc/88/71/35/1185887135.db2.gz KBZJSVDUTDSXKH-RBUKOAKNSA-N 1 3 387.528 0.943 20 0 GCADHO CC[NH+]1CCC(N2CCCN(C(=O)NCCN3CCCOCC3)CC2)CC1 ZINC000581878342 1185926542 /nfs/dbraw/zinc/92/65/42/1185926542.db2.gz HTVLILUBEUHOGT-UHFFFAOYSA-N 1 3 381.565 0.910 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000419902942 1185977943 /nfs/dbraw/zinc/97/79/43/1185977943.db2.gz WFUGXVLUARPUOX-IRXDYDNUSA-N 1 3 376.501 0.972 20 0 GCADHO CC(=O)N1CCN(C(=O)CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000328878221 1185998741 /nfs/dbraw/zinc/99/87/41/1185998741.db2.gz KYIHCOUEDJQIED-UHFFFAOYSA-N 1 3 379.549 0.168 20 0 GCADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891857423 1186099442 /nfs/dbraw/zinc/09/94/42/1186099442.db2.gz AZOGCDZMCZDVHG-NXOAAHMSSA-N 1 3 377.489 0.580 20 0 GCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891865448 1186107026 /nfs/dbraw/zinc/10/70/26/1186107026.db2.gz PGTRIXDWIGWRNF-LVQVYYBASA-N 1 3 379.505 0.683 20 0 GCADHO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431028454 1186107072 /nfs/dbraw/zinc/10/70/72/1186107072.db2.gz QUFLNCYOUMTXLQ-OAHLLOKOSA-N 1 3 394.541 0.457 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000933847420 1186108947 /nfs/dbraw/zinc/10/89/47/1186108947.db2.gz GRIBRIHZLLJUAC-QZTJIDSGSA-N 1 3 393.576 0.319 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000276840315 1186115167 /nfs/dbraw/zinc/11/51/67/1186115167.db2.gz IRNHMDLHMNNNMS-DOTOQJQBSA-N 1 3 376.505 0.480 20 0 GCADHO COC(=O)c1ccc(CN(CCNC(=O)C[NH+](C)C)C(=O)CN(C)C)cc1 ZINC000276943886 1186168583 /nfs/dbraw/zinc/16/85/83/1186168583.db2.gz PVLHOKMHWBWSBQ-UHFFFAOYSA-N 1 3 378.473 0.041 20 0 GCADHO COC(=O)c1ccc(CN(CCNC(=O)CN(C)C)C(=O)C[NH+](C)C)cc1 ZINC000276943886 1186168587 /nfs/dbraw/zinc/16/85/87/1186168587.db2.gz PVLHOKMHWBWSBQ-UHFFFAOYSA-N 1 3 378.473 0.041 20 0 GCADHO Cc1c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cccc1S(N)(=O)=O ZINC000151598899 1186292493 /nfs/dbraw/zinc/29/24/93/1186292493.db2.gz QFBQJTMDRMGPEB-UHFFFAOYSA-N 1 3 394.541 0.931 20 0 GCADHO C[C@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)CN1CCN(C)CC1 ZINC000431297970 1186328896 /nfs/dbraw/zinc/32/88/96/1186328896.db2.gz IKHIHBADWGDUKE-GOSISDBHSA-N 1 3 396.580 0.161 20 0 GCADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892118870 1186354914 /nfs/dbraw/zinc/35/49/14/1186354914.db2.gz JFNUZHBEOQJYCA-SPUZQDLCSA-N 1 3 385.468 0.450 20 0 GCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000892186865 1186418130 /nfs/dbraw/zinc/41/81/30/1186418130.db2.gz DRAFZFBWHSXJRH-YESZJQIVSA-N 1 3 377.533 0.890 20 0 GCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000892263370 1186539138 /nfs/dbraw/zinc/53/91/38/1186539138.db2.gz NKWNZIGPUOOERT-LJQANCHMSA-N 1 3 387.528 0.991 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000582619966 1186587923 /nfs/dbraw/zinc/58/79/23/1186587923.db2.gz MDGOPSVECKZIIK-RYRKJORJSA-N 1 3 379.549 0.116 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000582619966 1186587929 /nfs/dbraw/zinc/58/79/29/1186587929.db2.gz MDGOPSVECKZIIK-RYRKJORJSA-N 1 3 379.549 0.116 20 0 GCADHO CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000125735482 1186609020 /nfs/dbraw/zinc/60/90/20/1186609020.db2.gz VBJSVFNSUKUALB-UHFFFAOYSA-N 1 3 386.500 0.974 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[C@@H]2F)[C@H](O)OC(C)(C)C)C1 ZINC001143446065 1186614814 /nfs/dbraw/zinc/61/48/14/1186614814.db2.gz PIIFPMLGHFUTOK-WLSKGAHQSA-N 1 3 375.485 0.640 20 0 GCADHO CCn1cc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)ccc1=O ZINC000124602540 1186798668 /nfs/dbraw/zinc/79/86/68/1186798668.db2.gz FIMLPGUFSIVMMI-KRWDZBQOSA-N 1 3 391.516 0.681 20 0 GCADHO CCn1cc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)ccc1=O ZINC000124602540 1186798671 /nfs/dbraw/zinc/79/86/71/1186798671.db2.gz FIMLPGUFSIVMMI-KRWDZBQOSA-N 1 3 391.516 0.681 20 0 GCADHO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[NH2+]CC3(N)CCC3)CC2)cc1 ZINC000583322691 1186825083 /nfs/dbraw/zinc/82/50/83/1186825083.db2.gz UAKBJPZSTYNUEC-MRXNPFEDSA-N 1 3 394.541 0.687 20 0 GCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392503 1186843935 /nfs/dbraw/zinc/84/39/35/1186843935.db2.gz IKEJGSASJRVWCX-GUDVDZBRSA-N 1 3 385.512 0.504 20 0 GCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392503 1186843938 /nfs/dbraw/zinc/84/39/38/1186843938.db2.gz IKEJGSASJRVWCX-GUDVDZBRSA-N 1 3 385.512 0.504 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892342582 1186881987 /nfs/dbraw/zinc/88/19/87/1186881987.db2.gz KMDQFAXLXBPEMO-IBGZPJMESA-N 1 3 385.512 0.780 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000583562130 1186886615 /nfs/dbraw/zinc/88/66/15/1186886615.db2.gz BGORSLCNBULOFX-UHFFFAOYSA-N 1 3 385.516 0.694 20 0 GCADHO C[C@H](O)CN1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000245884044 1186900058 /nfs/dbraw/zinc/90/00/58/1186900058.db2.gz OIDYOHRWQLARJO-SJORKVTESA-N 1 3 390.532 0.430 20 0 GCADHO NC1(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000648178383 1186925839 /nfs/dbraw/zinc/92/58/39/1186925839.db2.gz YHGZHUVOBIQNPY-MSOLQXFVSA-N 1 3 383.496 0.229 20 0 GCADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000685454799 1187131661 /nfs/dbraw/zinc/13/16/61/1187131661.db2.gz TXWXDFNAKJCWGY-UHFFFAOYSA-N 1 3 375.565 0.686 20 0 GCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000685454799 1187131667 /nfs/dbraw/zinc/13/16/67/1187131667.db2.gz TXWXDFNAKJCWGY-UHFFFAOYSA-N 1 3 375.565 0.686 20 0 GCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2O)CC[N@@H+]1C ZINC001023967848 1187201828 /nfs/dbraw/zinc/20/18/28/1187201828.db2.gz JQFVZQOLHWKWQS-YCEFEEMOSA-N 1 3 388.512 0.390 20 0 GCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2O)CC[N@H+]1C ZINC001023967848 1187201830 /nfs/dbraw/zinc/20/18/30/1187201830.db2.gz JQFVZQOLHWKWQS-YCEFEEMOSA-N 1 3 388.512 0.390 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)C2)CC1 ZINC000586851206 1187392657 /nfs/dbraw/zinc/39/26/57/1187392657.db2.gz XDYBRLPLNMBZBW-MJGOQNOKSA-N 1 3 393.576 0.460 20 0 GCADHO COC1CC[NH+](C2(CNC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CCCC2)CC1 ZINC000569745797 1187444597 /nfs/dbraw/zinc/44/45/97/1187444597.db2.gz SXGJRCTUEPJSFS-RDJZCZTQSA-N 1 3 393.532 0.363 20 0 GCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000612485158 1187505349 /nfs/dbraw/zinc/50/53/49/1187505349.db2.gz KWTDEKGVWONYPA-QGZVFWFLSA-N 1 3 382.549 0.792 20 0 GCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000612545326 1187522086 /nfs/dbraw/zinc/52/20/86/1187522086.db2.gz JMYKRMLNMOYSTL-KRWDZBQOSA-N 1 3 380.533 0.690 20 0 GCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000612546588 1187522656 /nfs/dbraw/zinc/52/26/56/1187522656.db2.gz UGJZFRHHKQZDAC-SQNIBIBYSA-N 1 3 379.549 0.071 20 0 GCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612596721 1187536088 /nfs/dbraw/zinc/53/60/88/1187536088.db2.gz SJKGQPKZACHCGX-AEFFLSMTSA-N 1 3 380.533 0.546 20 0 GCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612596721 1187536090 /nfs/dbraw/zinc/53/60/90/1187536090.db2.gz SJKGQPKZACHCGX-AEFFLSMTSA-N 1 3 380.533 0.546 20 0 GCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612597006 1187536248 /nfs/dbraw/zinc/53/62/48/1187536248.db2.gz ZLBVBFJXWLTSQU-FUHWJXTLSA-N 1 3 380.533 0.450 20 0 GCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612597006 1187536256 /nfs/dbraw/zinc/53/62/56/1187536256.db2.gz ZLBVBFJXWLTSQU-FUHWJXTLSA-N 1 3 380.533 0.450 20 0 GCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612597002 1187536406 /nfs/dbraw/zinc/53/64/06/1187536406.db2.gz ZKTFAFSTBAEORW-PKOBYXMFSA-N 1 3 392.544 0.546 20 0 GCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612597002 1187536409 /nfs/dbraw/zinc/53/64/09/1187536409.db2.gz ZKTFAFSTBAEORW-PKOBYXMFSA-N 1 3 392.544 0.546 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000612599334 1187538727 /nfs/dbraw/zinc/53/87/27/1187538727.db2.gz TUUAPRKVKVBSAC-LJQANCHMSA-N 1 3 392.544 0.833 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000612599334 1187538728 /nfs/dbraw/zinc/53/87/28/1187538728.db2.gz TUUAPRKVKVBSAC-LJQANCHMSA-N 1 3 392.544 0.833 20 0 GCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000612601705 1187540169 /nfs/dbraw/zinc/54/01/69/1187540169.db2.gz SYVVAAZNKFXNCZ-MSOLQXFVSA-N 1 3 378.517 0.443 20 0 GCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000612601649 1187540395 /nfs/dbraw/zinc/54/03/95/1187540395.db2.gz SDPXRWRCPAYITG-GOSISDBHSA-N 1 3 380.533 0.546 20 0 GCADHO N[C@@H]1C[C@H]2CN(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)CCN2C1=O ZINC000570345447 1187579041 /nfs/dbraw/zinc/57/90/41/1187579041.db2.gz MYHFFVPZXMJINK-DLBZAZTESA-N 1 3 377.533 0.986 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612777017 1187580305 /nfs/dbraw/zinc/58/03/05/1187580305.db2.gz RERPUGQYOQRPHI-IBGZPJMESA-N 1 3 394.560 0.794 20 0 GCADHO CN1CCC[C@@H]1CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612876647 1187609906 /nfs/dbraw/zinc/60/99/06/1187609906.db2.gz MNEPPKKHGWZNLO-HZPDHXFCSA-N 1 3 375.521 0.803 20 0 GCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1-n1ccc(C[NH3+])cc1=N ZINC001167691666 1187613043 /nfs/dbraw/zinc/61/30/43/1187613043.db2.gz QAAFYBDPWZCHGW-HNNXBMFYSA-N 1 3 387.484 0.916 20 0 GCADHO C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)CN1CCN(C)CC1 ZINC000247030731 1187680752 /nfs/dbraw/zinc/68/07/52/1187680752.db2.gz QQVWILKRMYZLNO-YZGWKJHDSA-N 1 3 395.592 0.937 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000173132912 1187718020 /nfs/dbraw/zinc/71/80/20/1187718020.db2.gz HDTNITWUGIEAOE-LJQANCHMSA-N 1 3 382.549 0.792 20 0 GCADHO C[C@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[C@H]1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000613327863 1187720312 /nfs/dbraw/zinc/72/03/12/1187720312.db2.gz DDRZGPNZSNPWQP-HSXTZPDUSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[C@H]1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000613327863 1187720314 /nfs/dbraw/zinc/72/03/14/1187720314.db2.gz DDRZGPNZSNPWQP-HSXTZPDUSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)[C@H]1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000613327863 1187720318 /nfs/dbraw/zinc/72/03/18/1187720318.db2.gz DDRZGPNZSNPWQP-HSXTZPDUSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@H](C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)[C@H]1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000613327863 1187720322 /nfs/dbraw/zinc/72/03/22/1187720322.db2.gz DDRZGPNZSNPWQP-HSXTZPDUSA-N 1 3 388.556 0.974 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)CC2)CC1 ZINC000549046258 1187795235 /nfs/dbraw/zinc/79/52/35/1187795235.db2.gz JSKSQACIIHTZIZ-MSOLQXFVSA-N 1 3 377.533 0.998 20 0 GCADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](C)N1CCOCC1 ZINC000105211074 1187876533 /nfs/dbraw/zinc/87/65/33/1187876533.db2.gz PLPPAICMFQBNSF-SJORKVTESA-N 1 3 381.565 0.953 20 0 GCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000659112752 1187889131 /nfs/dbraw/zinc/88/91/31/1187889131.db2.gz KYJRQMSMDFVNRE-RDJZCZTQSA-N 1 3 384.484 0.993 20 0 GCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000647595387 1187905717 /nfs/dbraw/zinc/90/57/17/1187905717.db2.gz CXPMJRLBKUDVHZ-GJZGRUSLSA-N 1 3 376.501 0.502 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000659318584 1187943402 /nfs/dbraw/zinc/94/34/02/1187943402.db2.gz IKQOYCBTUCJXMF-UHFFFAOYSA-N 1 3 395.573 0.344 20 0 GCADHO CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1C ZINC000659345088 1187945570 /nfs/dbraw/zinc/94/55/70/1187945570.db2.gz YSCOLSZMSDHWFV-OALUTQOASA-N 1 3 393.576 0.412 20 0 GCADHO CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1C ZINC000659345088 1187945572 /nfs/dbraw/zinc/94/55/72/1187945572.db2.gz YSCOLSZMSDHWFV-OALUTQOASA-N 1 3 393.576 0.412 20 0 GCADHO CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1C ZINC000659345088 1187945573 /nfs/dbraw/zinc/94/55/73/1187945573.db2.gz YSCOLSZMSDHWFV-OALUTQOASA-N 1 3 393.576 0.412 20 0 GCADHO CC[C@@H](C)N1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000659344744 1187946251 /nfs/dbraw/zinc/94/62/51/1187946251.db2.gz JHUJCPLTKWZDQL-IEBWSBKVSA-N 1 3 393.576 0.556 20 0 GCADHO CC[C@@H](C)N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000659344744 1187946253 /nfs/dbraw/zinc/94/62/53/1187946253.db2.gz JHUJCPLTKWZDQL-IEBWSBKVSA-N 1 3 393.576 0.556 20 0 GCADHO CC[C@@H](C)N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000659344744 1187946255 /nfs/dbraw/zinc/94/62/55/1187946255.db2.gz JHUJCPLTKWZDQL-IEBWSBKVSA-N 1 3 393.576 0.556 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000642960067 1187951331 /nfs/dbraw/zinc/95/13/31/1187951331.db2.gz ZPFXGPLOIINGBY-CGTJXYLNSA-N 1 3 388.512 0.949 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000642960067 1187951333 /nfs/dbraw/zinc/95/13/33/1187951333.db2.gz ZPFXGPLOIINGBY-CGTJXYLNSA-N 1 3 388.512 0.949 20 0 GCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000659513460 1187967183 /nfs/dbraw/zinc/96/71/83/1187967183.db2.gz YDFVFQDSZZUXQU-NXHRZFHOSA-N 1 3 378.517 0.251 20 0 GCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000659513460 1187967185 /nfs/dbraw/zinc/96/71/85/1187967185.db2.gz YDFVFQDSZZUXQU-NXHRZFHOSA-N 1 3 378.517 0.251 20 0 GCADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC1CCN([C@H]2CCOC2)CC1 ZINC000659541154 1187968682 /nfs/dbraw/zinc/96/86/82/1187968682.db2.gz ZTMLIVDUJSIESJ-LSDHHAIUSA-N 1 3 393.454 0.375 20 0 GCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000659566596 1187971275 /nfs/dbraw/zinc/97/12/75/1187971275.db2.gz MVFJUTFRAMOADH-FQEVSTJZSA-N 1 3 386.544 0.983 20 0 GCADHO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000659580799 1187972911 /nfs/dbraw/zinc/97/29/11/1187972911.db2.gz FITXLPPNCRBZAN-LUXYFRNMSA-N 1 3 380.439 0.871 20 0 GCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000659698402 1187999233 /nfs/dbraw/zinc/99/92/33/1187999233.db2.gz NAPKCJRQDUCQAC-SJLPKXTDSA-N 1 3 375.517 0.206 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000659693278 1188001069 /nfs/dbraw/zinc/00/10/69/1188001069.db2.gz ZKLWQILYXMXWKZ-UHFFFAOYSA-N 1 3 398.467 0.169 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCSC1 ZINC000659702084 1188004740 /nfs/dbraw/zinc/00/47/40/1188004740.db2.gz NXNDHRICNHDCPT-LPHOPBHVSA-N 1 3 382.574 0.778 20 0 GCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCSC1 ZINC000659702085 1188005177 /nfs/dbraw/zinc/00/51/77/1188005177.db2.gz NXNDHRICNHDCPT-QFBILLFUSA-N 1 3 382.574 0.778 20 0 GCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659728181 1188011673 /nfs/dbraw/zinc/01/16/73/1188011673.db2.gz ISOWLNVXOUZTNQ-UHFFFAOYSA-N 1 3 375.517 0.853 20 0 GCADHO CC[C@@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[C@H]1[NH3+] ZINC000659729936 1188015230 /nfs/dbraw/zinc/01/52/30/1188015230.db2.gz QOUQFHVIORMKBZ-RTBURBONSA-N 1 3 387.528 0.996 20 0 GCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)[C@H](C[NH3+])C1 ZINC000659729921 1188016132 /nfs/dbraw/zinc/01/61/32/1188016132.db2.gz QGZKLZPYCKUIAT-APWZRJJASA-N 1 3 387.528 0.996 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000415369233 1188062686 /nfs/dbraw/zinc/06/26/86/1188062686.db2.gz BMCUSTNTYFFDHK-LJQANCHMSA-N 1 3 387.528 0.973 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)cc2)CC1 ZINC000415517404 1188097088 /nfs/dbraw/zinc/09/70/88/1188097088.db2.gz HKKZNUDLVBKRBJ-SJLPKXTDSA-N 1 3 387.528 0.958 20 0 GCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[NH2+]CCOC)c(C)c2)CC1 ZINC000415538235 1188100510 /nfs/dbraw/zinc/10/05/10/1188100510.db2.gz IULDTQFQKPEAGJ-UHFFFAOYSA-N 1 3 391.516 0.428 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC000415693831 1188140693 /nfs/dbraw/zinc/14/06/93/1188140693.db2.gz QITQBKZGMLOKEW-OAQYLSRUSA-N 1 3 387.528 0.960 20 0 GCADHO O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415861135 1189384620 /nfs/dbraw/zinc/38/46/20/1189384620.db2.gz IECYXSHFGJKZCE-GOSISDBHSA-N 1 3 390.484 0.594 20 0 GCADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000893230122 1189501417 /nfs/dbraw/zinc/50/14/17/1189501417.db2.gz AEKAPLYCAOUDAA-NXHRZFHOSA-N 1 3 381.542 0.688 20 0 GCADHO CN1CCC(CNC(=O)N2CCN(C)CCN(C)CC2)([NH+]2CCCCC2)CC1 ZINC000893267619 1189570262 /nfs/dbraw/zinc/57/02/62/1189570262.db2.gz MLJMJINFTMPPDQ-UHFFFAOYSA-N 1 3 394.608 0.826 20 0 GCADHO CN(C)[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000416854257 1189589500 /nfs/dbraw/zinc/58/95/00/1189589500.db2.gz UZQIKQJQBWMDHN-ROUUACIJSA-N 1 3 375.517 0.656 20 0 GCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417021408 1189607933 /nfs/dbraw/zinc/60/79/33/1189607933.db2.gz NDDXECQYFMNFSR-HXUWFJFHSA-N 1 3 388.560 0.397 20 0 GCADHO [NH3+]C[C@@H]1CN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000417148586 1189625551 /nfs/dbraw/zinc/62/55/51/1189625551.db2.gz HCUFRLPQTGMWLQ-LJQANCHMSA-N 1 3 375.517 0.958 20 0 GCADHO COCCN1CCC(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417301594 1189641488 /nfs/dbraw/zinc/64/14/88/1189641488.db2.gz VLYGVEDJCNABQO-CQSZACIVSA-N 1 3 381.443 0.233 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417435346 1189661959 /nfs/dbraw/zinc/66/19/59/1189661959.db2.gz YGDSPIUZKNUFKU-KSZLIROESA-N 1 3 379.549 0.960 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417429267 1189662859 /nfs/dbraw/zinc/66/28/59/1189662859.db2.gz MSRUIIVKBYJUPB-QZTJIDSGSA-N 1 3 379.549 0.960 20 0 GCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660583415 1189910291 /nfs/dbraw/zinc/91/02/91/1189910291.db2.gz BTFWUORHGFSJQX-RDJZCZTQSA-N 1 3 381.521 0.126 20 0 GCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660583415 1189910294 /nfs/dbraw/zinc/91/02/94/1189910294.db2.gz BTFWUORHGFSJQX-RDJZCZTQSA-N 1 3 381.521 0.126 20 0 GCADHO CC(C)N1CCN(CCC[NH+]2CCC(NC(=O)N3CCOCC3)CC2)CC1 ZINC000660859617 1189957530 /nfs/dbraw/zinc/95/75/30/1189957530.db2.gz OJFRHIRGKZZCGP-UHFFFAOYSA-N 1 3 381.565 0.909 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662714774 1190002734 /nfs/dbraw/zinc/00/27/34/1190002734.db2.gz BEFPQCJQZUZMAV-MRXNPFEDSA-N 1 3 391.520 0.219 20 0 GCADHO COCC[N@H+](C)CCOc1cccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000663956891 1193739087 /nfs/dbraw/zinc/73/90/87/1193739087.db2.gz SCBJSIDDHNUCCA-OALUTQOASA-N 1 3 394.516 0.460 20 0 GCADHO COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000663956891 1193739090 /nfs/dbraw/zinc/73/90/90/1193739090.db2.gz SCBJSIDDHNUCCA-OALUTQOASA-N 1 3 394.516 0.460 20 0 GCADHO CCC[NH+]1CCC(N(C)C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000512808109 1193773771 /nfs/dbraw/zinc/77/37/71/1193773771.db2.gz NJASDLGDNGRPMX-UHFFFAOYSA-N 1 3 383.581 0.892 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000419334597 1193826475 /nfs/dbraw/zinc/82/64/75/1193826475.db2.gz JFYJQYQIAJIOGA-UHFFFAOYSA-N 1 3 399.539 0.476 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N[C@@H](C)CC[NH3+])cc2)CC1 ZINC000419335791 1193827951 /nfs/dbraw/zinc/82/79/51/1193827951.db2.gz KCEXMLAAMPAHCZ-INIZCTEOSA-N 1 3 375.517 0.294 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419337835 1193833354 /nfs/dbraw/zinc/83/33/54/1193833354.db2.gz LHGFFAONZHMYKM-MRXNPFEDSA-N 1 3 375.517 0.294 20 0 GCADHO CSC[C@H](C)NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419354924 1193854577 /nfs/dbraw/zinc/85/45/77/1193854577.db2.gz DSQMSJPRFGYZKK-HNNXBMFYSA-N 1 3 378.542 0.964 20 0 GCADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCO1 ZINC000433462831 1193866350 /nfs/dbraw/zinc/86/63/50/1193866350.db2.gz LZYPFSBOSDXERZ-GOSISDBHSA-N 1 3 395.548 0.437 20 0 GCADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCO1 ZINC000433462831 1193866353 /nfs/dbraw/zinc/86/63/53/1193866353.db2.gz LZYPFSBOSDXERZ-GOSISDBHSA-N 1 3 395.548 0.437 20 0 GCADHO CO[C@H]1CC[C@@H](NC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419399069 1194019259 /nfs/dbraw/zinc/01/92/59/1194019259.db2.gz IWAWUOJPQVAZNU-MSOLQXFVSA-N 1 3 388.512 0.780 20 0 GCADHO CC1CCN(CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000419401299 1194020260 /nfs/dbraw/zinc/02/02/60/1194020260.db2.gz APMUOTWBAXNLKY-MSOLQXFVSA-N 1 3 380.533 0.579 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000419418483 1194022569 /nfs/dbraw/zinc/02/25/69/1194022569.db2.gz LDYBEIAXGXKHSC-MOPGFXCFSA-N 1 3 387.528 0.431 20 0 GCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419420456 1194023483 /nfs/dbraw/zinc/02/34/83/1194023483.db2.gz NAPOKKONPBTGPU-HKUYNNGSSA-N 1 3 389.544 0.453 20 0 GCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000419420149 1194023708 /nfs/dbraw/zinc/02/37/08/1194023708.db2.gz MLFVDAQJBUTBQM-LJQANCHMSA-N 1 3 387.528 0.131 20 0 GCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419421269 1194024130 /nfs/dbraw/zinc/02/41/30/1194024130.db2.gz OKEZDKDZGHJZAZ-LJQANCHMSA-N 1 3 389.544 0.410 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NCC2=CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000419421274 1194024359 /nfs/dbraw/zinc/02/43/59/1194024359.db2.gz OLMLGLGICWAAOD-FQEVSTJZSA-N 1 3 399.539 0.517 20 0 GCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419424737 1194025287 /nfs/dbraw/zinc/02/52/87/1194025287.db2.gz ULIYLQRPFATYMW-FUHWJXTLSA-N 1 3 375.517 0.335 20 0 GCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419425422 1194026059 /nfs/dbraw/zinc/02/60/59/1194026059.db2.gz VQEYACBAJLTJIX-KRWDZBQOSA-N 1 3 375.517 0.164 20 0 GCADHO C[NH2+]CCCNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419427877 1194027270 /nfs/dbraw/zinc/02/72/70/1194027270.db2.gz ZZGRZWMJABYYMU-GOSISDBHSA-N 1 3 375.517 0.207 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419507174 1194047320 /nfs/dbraw/zinc/04/73/20/1194047320.db2.gz OCUIHRBXHGWOPX-RYQLBKOJSA-N 1 3 388.512 0.854 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419507174 1194047328 /nfs/dbraw/zinc/04/73/28/1194047328.db2.gz OCUIHRBXHGWOPX-RYQLBKOJSA-N 1 3 388.512 0.854 20 0 GCADHO COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CCCNCC1)c1ccccc1 ZINC000419539406 1194055723 /nfs/dbraw/zinc/05/57/23/1194055723.db2.gz POUQUNLSEOHBTN-SFHVURJKSA-N 1 3 376.501 0.634 20 0 GCADHO COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CCCNCC1)c1ccccc1 ZINC000419539406 1194055728 /nfs/dbraw/zinc/05/57/28/1194055728.db2.gz POUQUNLSEOHBTN-SFHVURJKSA-N 1 3 376.501 0.634 20 0 GCADHO [NH3+][C@H]1CCN(C(=O)C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000419689663 1194085641 /nfs/dbraw/zinc/08/56/41/1194085641.db2.gz JKIIOXZQWBDMAD-IBGZPJMESA-N 1 3 387.528 0.260 20 0 GCADHO C[C@H](Cn1ccnc1)NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419692646 1194086141 /nfs/dbraw/zinc/08/61/41/1194086141.db2.gz YEYYOVHKDPRIKK-QGZVFWFLSA-N 1 3 398.511 0.498 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419749454 1194096065 /nfs/dbraw/zinc/09/60/65/1194096065.db2.gz GVMJNEZZNWBMIB-MRXNPFEDSA-N 1 3 382.549 0.886 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419754496 1194097733 /nfs/dbraw/zinc/09/77/33/1194097733.db2.gz OYVPBIDGJIDGPR-QGZVFWFLSA-N 1 3 376.501 0.808 20 0 GCADHO NC[C@@H](NC(=O)C(=O)NCC1CC[NH+](CCO)CC1)c1ccc2ccccc2c1 ZINC000419765894 1194101524 /nfs/dbraw/zinc/10/15/24/1194101524.db2.gz RHYCMBVHVUWJKG-HXUWFJFHSA-N 1 3 398.507 0.776 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)CN1CCN(C)CC1 ZINC000419838247 1194117788 /nfs/dbraw/zinc/11/77/88/1194117788.db2.gz XNUIYCKWJPUKQN-SFHVURJKSA-N 1 3 389.544 0.364 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)NCCCC[NH3+])CC1)Cc1ccccc1 ZINC000419837346 1194118321 /nfs/dbraw/zinc/11/83/21/1194118321.db2.gz ZQLBHJGTLZBYSD-UHFFFAOYSA-N 1 3 375.517 0.118 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419856554 1194122541 /nfs/dbraw/zinc/12/25/41/1194122541.db2.gz JBZKNKHIAKEUOA-SOLBZPMBSA-N 1 3 380.533 0.450 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000419857410 1194123072 /nfs/dbraw/zinc/12/30/72/1194123072.db2.gz KEMDQCZEBVDWOB-QGZVFWFLSA-N 1 3 376.501 0.701 20 0 GCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419878505 1194130707 /nfs/dbraw/zinc/13/07/07/1194130707.db2.gz JFWJAMNKBCWVSN-UHFFFAOYSA-N 1 3 395.935 0.252 20 0 GCADHO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000419905692 1194136478 /nfs/dbraw/zinc/13/64/78/1194136478.db2.gz WIFWBZLNTNTMAA-MOPGFXCFSA-N 1 3 388.512 0.811 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419918618 1194138672 /nfs/dbraw/zinc/13/86/72/1194138672.db2.gz UTLQQZPCLULZEA-AWEZNQCLSA-N 1 3 382.455 0.971 20 0 GCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419950402 1194143085 /nfs/dbraw/zinc/14/30/85/1194143085.db2.gz MGSWNXZRDAAVDE-GVDBMIGSSA-N 1 3 382.549 0.696 20 0 GCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419960300 1194148026 /nfs/dbraw/zinc/14/80/26/1194148026.db2.gz WGAFXBDYQDYCJI-AEFFLSMTSA-N 1 3 375.517 0.866 20 0 GCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420027705 1194159404 /nfs/dbraw/zinc/15/94/04/1194159404.db2.gz DHSITTOJVJXOMP-DOTOQJQBSA-N 1 3 398.548 0.565 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420044040 1194167675 /nfs/dbraw/zinc/16/76/75/1194167675.db2.gz OZLPTOVYWODBGB-OGWHTMIXSA-N 1 3 394.560 0.968 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000420055085 1194170983 /nfs/dbraw/zinc/17/09/83/1194170983.db2.gz LPVCONLKUJMXNQ-IBGZPJMESA-N 1 3 386.496 0.992 20 0 GCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000420133998 1194183985 /nfs/dbraw/zinc/18/39/85/1194183985.db2.gz DPILEYPXLWBUDG-IRXDYDNUSA-N 1 3 392.544 0.760 20 0 GCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420132188 1194189841 /nfs/dbraw/zinc/18/98/41/1194189841.db2.gz AMQGSFKFTFAYPD-IBGZPJMESA-N 1 3 385.512 0.930 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000420133583 1194190699 /nfs/dbraw/zinc/19/06/99/1194190699.db2.gz TYPPGHIIWWSJKX-RDJZCZTQSA-N 1 3 376.501 0.842 20 0 GCADHO C[C@H]1CN(CC2CCN(C(=O)C(=O)NCCC3=CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000420162978 1194191684 /nfs/dbraw/zinc/19/16/84/1194191684.db2.gz JRHRQZFLLAYUSA-IRXDYDNUSA-N 1 3 392.544 0.760 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC000420199199 1194202667 /nfs/dbraw/zinc/20/26/67/1194202667.db2.gz DNAWZFUMCNWMCX-IRXDYDNUSA-N 1 3 388.512 0.732 20 0 GCADHO NC1(CNC(=O)C(=O)N2CCC(F)(F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000420202164 1194203724 /nfs/dbraw/zinc/20/37/24/1194203724.db2.gz IURLQLVVPUKZCP-UHFFFAOYSA-N 1 3 380.439 0.964 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000420210711 1194213010 /nfs/dbraw/zinc/21/30/10/1194213010.db2.gz SLQKXRZHFPNIBV-OGWHTMIXSA-N 1 3 394.560 0.968 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501651816 1194218647 /nfs/dbraw/zinc/21/86/47/1194218647.db2.gz YLEVNJDUKWASIQ-AEFFLSMTSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)C[C@@H](C)O1 ZINC000422111725 1194392510 /nfs/dbraw/zinc/39/25/10/1194392510.db2.gz DKNAXDIXBZBHBW-ZHALLVOQSA-N 1 3 394.560 0.887 20 0 GCADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000503183731 1194403697 /nfs/dbraw/zinc/40/36/97/1194403697.db2.gz UXVRUPNYNJJXRD-JKSUJKDBSA-N 1 3 390.532 0.924 20 0 GCADHO COCCN1CC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000272764465 1194498774 /nfs/dbraw/zinc/49/87/74/1194498774.db2.gz LGDTYPFJOYJHBV-MOPGFXCFSA-N 1 3 376.501 0.773 20 0 GCADHO COCCN1CC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000272764465 1194498780 /nfs/dbraw/zinc/49/87/80/1194498780.db2.gz LGDTYPFJOYJHBV-MOPGFXCFSA-N 1 3 376.501 0.773 20 0 GCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000422393652 1194634400 /nfs/dbraw/zinc/63/44/00/1194634400.db2.gz FLRRHXLYSVPVRO-MRXNPFEDSA-N 1 3 377.489 0.191 20 0 GCADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1CN ZINC000422642513 1194681135 /nfs/dbraw/zinc/68/11/35/1194681135.db2.gz ZMIUTWBFIVGNEY-BFYDXBDKSA-N 1 3 396.557 0.688 20 0 GCADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1CN ZINC000422642513 1194681137 /nfs/dbraw/zinc/68/11/37/1194681137.db2.gz ZMIUTWBFIVGNEY-BFYDXBDKSA-N 1 3 396.557 0.688 20 0 GCADHO C[C@@H]1C[C@@H](C)N(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422642513 1194681139 /nfs/dbraw/zinc/68/11/39/1194681139.db2.gz ZMIUTWBFIVGNEY-BFYDXBDKSA-N 1 3 396.557 0.688 20 0 GCADHO CN(C)[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C[C@@H]1O ZINC000664324208 1194685393 /nfs/dbraw/zinc/68/53/93/1194685393.db2.gz VFWBRGDVGDIZJQ-OALUTQOASA-N 1 3 376.501 0.460 20 0 GCADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000422975339 1194714841 /nfs/dbraw/zinc/71/48/41/1194714841.db2.gz SOCYCDZOYQBFRP-NEWSRXKRSA-N 1 3 388.512 0.810 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423163773 1194734620 /nfs/dbraw/zinc/73/46/20/1194734620.db2.gz NICBUUWEXXDIQS-HSALFYBXSA-N 1 3 399.539 0.962 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423167273 1194735040 /nfs/dbraw/zinc/73/50/40/1194735040.db2.gz RWPNIIOGVIZHTJ-CEXWTWQISA-N 1 3 385.512 0.572 20 0 GCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CCC[NH2+]C ZINC000423170110 1194735114 /nfs/dbraw/zinc/73/51/14/1194735114.db2.gz XNCWXESIXZCKQY-SFHVURJKSA-N 1 3 375.517 0.962 20 0 GCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423208537 1194736594 /nfs/dbraw/zinc/73/65/94/1194736594.db2.gz YYIBUEGOJSMIFU-SFHVURJKSA-N 1 3 376.501 0.196 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423209740 1194737055 /nfs/dbraw/zinc/73/70/55/1194737055.db2.gz VLLOMLDHNUWWMM-CQSZACIVSA-N 1 3 384.427 0.041 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423200294 1194738579 /nfs/dbraw/zinc/73/85/79/1194738579.db2.gz FJHPNSOBQABMIM-IAGOWNOFSA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423199491 1194738593 /nfs/dbraw/zinc/73/85/93/1194738593.db2.gz BQNPDQKVJUJDCY-JKSUJKDBSA-N 1 3 394.466 0.923 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000423204698 1194739781 /nfs/dbraw/zinc/73/97/81/1194739781.db2.gz OOWJEXAMOSLVGK-BZLDKRAPSA-N 1 3 394.560 0.778 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423221280 1194741022 /nfs/dbraw/zinc/74/10/22/1194741022.db2.gz ZQFSKZYXIHBRMB-GBESFXJTSA-N 1 3 388.512 0.509 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423218776 1194741056 /nfs/dbraw/zinc/74/10/56/1194741056.db2.gz WAVRXAUISCOZQK-KRWDZBQOSA-N 1 3 380.533 0.548 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000423471244 1194758458 /nfs/dbraw/zinc/75/84/58/1194758458.db2.gz FDCQEAZSAVAQQO-DOTOQJQBSA-N 1 3 376.501 0.781 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423480312 1194759404 /nfs/dbraw/zinc/75/94/04/1194759404.db2.gz PGNTYOJYZIOMFB-MSOLQXFVSA-N 1 3 388.512 0.653 20 0 GCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000423505651 1194760008 /nfs/dbraw/zinc/76/00/08/1194760008.db2.gz OQMCCCMQTCLYRD-LMMKCTJWSA-N 1 3 394.560 0.792 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000423486793 1194760402 /nfs/dbraw/zinc/76/04/02/1194760402.db2.gz WOTVLCYTAMBNSI-SFHVURJKSA-N 1 3 392.500 0.162 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000423485614 1194760430 /nfs/dbraw/zinc/76/04/30/1194760430.db2.gz VJEJEYHNBPGBFR-MSOLQXFVSA-N 1 3 388.512 0.653 20 0 GCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000423511506 1194762024 /nfs/dbraw/zinc/76/20/24/1194762024.db2.gz TYXUIKWRLNFSRM-MTNOOBJLSA-N 1 3 394.560 0.920 20 0 GCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423656124 1194780063 /nfs/dbraw/zinc/78/00/63/1194780063.db2.gz TZLWLNPYDQCDQO-VXNCWWDNSA-N 1 3 394.560 0.920 20 0 GCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423656120 1194780083 /nfs/dbraw/zinc/78/00/83/1194780083.db2.gz TZLWLNPYDQCDQO-MTNOOBJLSA-N 1 3 394.560 0.920 20 0 GCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423658198 1194780692 /nfs/dbraw/zinc/78/06/92/1194780692.db2.gz XIXBIAHZRLMSCB-KONPQCLYSA-N 1 3 380.533 0.530 20 0 GCADHO O=S(=O)(c1ccccc1CNCCCN1CC[NH2+]CC1)N1CCOCC1 ZINC000414786645 1194811092 /nfs/dbraw/zinc/81/10/92/1194811092.db2.gz XMPWRMZFMTZEDT-UHFFFAOYSA-N 1 3 382.530 0.092 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000514693985 1194895421 /nfs/dbraw/zinc/89/54/21/1194895421.db2.gz UKWTYYLCXXIZMC-HKUYNNGSSA-N 1 3 391.560 0.380 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000514693985 1194895423 /nfs/dbraw/zinc/89/54/23/1194895423.db2.gz UKWTYYLCXXIZMC-HKUYNNGSSA-N 1 3 391.560 0.380 20 0 GCADHO COCCN(C)CCN1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1=O ZINC000425312810 1194907394 /nfs/dbraw/zinc/90/73/94/1194907394.db2.gz HEHKQAMRTBPZGK-GOSISDBHSA-N 1 3 376.501 0.657 20 0 GCADHO CCn1nccc1C1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000515042767 1194941173 /nfs/dbraw/zinc/94/11/73/1194941173.db2.gz BEYQQSQKCFTOSG-UHFFFAOYSA-N 1 3 392.548 0.561 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000425403764 1194959203 /nfs/dbraw/zinc/95/92/03/1194959203.db2.gz ONYKZGJTQDZTCT-INDMIFKZSA-N 1 3 391.560 0.023 20 0 GCADHO CCN1CCC([NH+]2CCC(C(=O)NCCCN3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000515310908 1194967737 /nfs/dbraw/zinc/96/77/37/1194967737.db2.gz ZHBLEQYDNPGPLD-IBGZPJMESA-N 1 3 393.576 0.639 20 0 GCADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)c1 ZINC000516570882 1195072380 /nfs/dbraw/zinc/07/23/80/1195072380.db2.gz IUDPISDBFUSEKH-KRWDZBQOSA-N 1 3 396.513 0.506 20 0 GCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000517047185 1195130217 /nfs/dbraw/zinc/13/02/17/1195130217.db2.gz OQBOUZKQNQSLGG-GOSISDBHSA-N 1 3 381.565 0.461 20 0 GCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000517047185 1195130218 /nfs/dbraw/zinc/13/02/18/1195130218.db2.gz OQBOUZKQNQSLGG-GOSISDBHSA-N 1 3 381.565 0.461 20 0 GCADHO COC[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000438353491 1195211020 /nfs/dbraw/zinc/21/10/20/1195211020.db2.gz BRMNNRADOCIYAK-RZFLPCETSA-N 1 3 382.549 0.979 20 0 GCADHO COC[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000438353491 1195211021 /nfs/dbraw/zinc/21/10/21/1195211021.db2.gz BRMNNRADOCIYAK-RZFLPCETSA-N 1 3 382.549 0.979 20 0 GCADHO CN1CCN(c2ncc(CNC[C@H](N3CC[NH2+]CC3)C(F)(F)F)cn2)CC1 ZINC000414973646 1195274647 /nfs/dbraw/zinc/27/46/47/1195274647.db2.gz KPMXPARPDBRTIP-HNNXBMFYSA-N 1 3 387.454 0.154 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000506640900 1195339025 /nfs/dbraw/zinc/33/90/25/1195339025.db2.gz CEYFXFXFKNMTTP-MRXNPFEDSA-N 1 3 383.537 0.339 20 0 GCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000550284957 1195512931 /nfs/dbraw/zinc/51/29/31/1195512931.db2.gz ZISIGCPBVLGBJB-UHFFFAOYSA-N 1 3 381.565 0.367 20 0 GCADHO C[NH+](C)CCOc1ccc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000519609646 1195532659 /nfs/dbraw/zinc/53/26/59/1195532659.db2.gz IOUXNRWEZSTRSO-SJLPKXTDSA-N 1 3 389.500 0.123 20 0 GCADHO CC(C)[C@@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)N1CCN(C)CC1 ZINC000550383623 1195651631 /nfs/dbraw/zinc/65/16/31/1195651631.db2.gz OHULIJYMTFQVNK-GOSISDBHSA-N 1 3 381.565 0.223 20 0 GCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000550383322 1195651687 /nfs/dbraw/zinc/65/16/87/1195651687.db2.gz GMINURIGIKHILR-QYZOEREBSA-N 1 3 393.576 0.460 20 0 GCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000550383322 1195651690 /nfs/dbraw/zinc/65/16/90/1195651690.db2.gz GMINURIGIKHILR-QYZOEREBSA-N 1 3 393.576 0.460 20 0 GCADHO C[C@H](CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000074654627 1195750417 /nfs/dbraw/zinc/75/04/17/1195750417.db2.gz HNJAWDPJTXIOQL-MOPGFXCFSA-N 1 3 381.565 0.624 20 0 GCADHO CN(CCN1CCCC1)C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000520620632 1195803932 /nfs/dbraw/zinc/80/39/32/1195803932.db2.gz IKTQCMWSDGQICR-UHFFFAOYSA-N 1 3 376.501 0.797 20 0 GCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000521442368 1195995526 /nfs/dbraw/zinc/99/55/26/1195995526.db2.gz CCRXHTCOYMETHG-FQEVSTJZSA-N 1 3 395.592 0.741 20 0 GCADHO CCOCCCN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000469764983 1196022564 /nfs/dbraw/zinc/02/25/64/1196022564.db2.gz QRBPNUWZLHTLSW-RDJZCZTQSA-N 1 3 387.550 0.425 20 0 GCADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000522014944 1196034446 /nfs/dbraw/zinc/03/44/46/1196034446.db2.gz RSPHNEXLOGGOED-YSHGAJCASA-N 1 3 385.512 0.850 20 0 GCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000522014944 1196034450 /nfs/dbraw/zinc/03/44/50/1196034450.db2.gz RSPHNEXLOGGOED-YSHGAJCASA-N 1 3 385.512 0.850 20 0 GCADHO C[C@@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000114587368 1196106126 /nfs/dbraw/zinc/10/61/26/1196106126.db2.gz CLIFVFFKPCUUEX-OALUTQOASA-N 1 3 383.581 0.796 20 0 GCADHO C[C@@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000114587368 1196106130 /nfs/dbraw/zinc/10/61/30/1196106130.db2.gz CLIFVFFKPCUUEX-OALUTQOASA-N 1 3 383.581 0.796 20 0 GCADHO CC1(C)CC(NC(=O)NCCCCN2CCN(CCO)CC2)CC(C)(C)[NH2+]1 ZINC000114581947 1196106151 /nfs/dbraw/zinc/10/61/51/1196106151.db2.gz AZLLXNJOFKFFJR-UHFFFAOYSA-N 1 3 383.581 0.985 20 0 GCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(c2cnn(C)c2)CCCO1 ZINC000895666998 1196107485 /nfs/dbraw/zinc/10/74/85/1196107485.db2.gz VNRCZLOFQBLKBW-QFBILLFUSA-N 1 3 380.537 0.997 20 0 GCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(c2cnn(C)c2)CCCO1 ZINC000895666998 1196107487 /nfs/dbraw/zinc/10/74/87/1196107487.db2.gz VNRCZLOFQBLKBW-QFBILLFUSA-N 1 3 380.537 0.997 20 0 GCADHO C[NH+]1CCN(Cc2ccc(CNC(=O)NCCCN3CCOCC3)cc2)CC1 ZINC000192921446 1196418906 /nfs/dbraw/zinc/41/89/06/1196418906.db2.gz HHTSADLTRDEJLL-UHFFFAOYSA-N 1 3 389.544 0.956 20 0 GCADHO COCC[NH+]1CCC(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000523918105 1196566770 /nfs/dbraw/zinc/56/67/70/1196566770.db2.gz CYJYJLOBNINEFE-QGZVFWFLSA-N 1 3 383.537 0.339 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446363533 1196637969 /nfs/dbraw/zinc/63/79/69/1196637969.db2.gz MXQFHPODONYAKQ-OXFYSEKESA-N 1 3 380.533 0.532 20 0 GCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000446363582 1196638045 /nfs/dbraw/zinc/63/80/45/1196638045.db2.gz NIAQBLCNOLHJKR-VPWXQRGCSA-N 1 3 378.517 0.286 20 0 GCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446368042 1196638555 /nfs/dbraw/zinc/63/85/55/1196638555.db2.gz BWWUUIDKTBWFNT-RIFZZMRRSA-N 1 3 380.533 0.578 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@]4(CNC(=O)C4)C3)CC2)CC1 ZINC000525809364 1196712249 /nfs/dbraw/zinc/71/22/49/1196712249.db2.gz IRSWCXAFKUKPTH-HXUWFJFHSA-N 1 3 377.533 0.857 20 0 GCADHO CNC(=O)c1ccc(C)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000525882646 1196720161 /nfs/dbraw/zinc/72/01/61/1196720161.db2.gz DGNBVGLCIVQYRJ-UHFFFAOYSA-N 1 3 377.489 0.245 20 0 GCADHO CO[C@@H](C[NH3+])CC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000447439876 1196722404 /nfs/dbraw/zinc/72/24/04/1196722404.db2.gz IZPWLNOTFSRPPP-LJQANCHMSA-N 1 3 390.528 0.837 20 0 GCADHO COc1cc(OC)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000526131888 1196744075 /nfs/dbraw/zinc/74/40/75/1196744075.db2.gz PHPVXFRJBZZXTQ-UHFFFAOYSA-N 1 3 384.452 0.733 20 0 GCADHO CC(=O)NCc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000527373928 1196784033 /nfs/dbraw/zinc/78/40/33/1196784033.db2.gz ABGBGRLWLWOMEW-UHFFFAOYSA-N 1 3 377.489 0.213 20 0 GCADHO CC(C)n1ncc2cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cnc21 ZINC000527374058 1196784146 /nfs/dbraw/zinc/78/41/46/1196784146.db2.gz NBUIRPYEDWUMHW-UHFFFAOYSA-N 1 3 389.504 0.903 20 0 GCADHO C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000450482814 1196929807 /nfs/dbraw/zinc/92/98/07/1196929807.db2.gz DDRZGPNZSNPWQP-DXXZMKCOSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000450482814 1196929808 /nfs/dbraw/zinc/92/98/08/1196929808.db2.gz DDRZGPNZSNPWQP-DXXZMKCOSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000450482814 1196929812 /nfs/dbraw/zinc/92/98/12/1196929812.db2.gz DDRZGPNZSNPWQP-DXXZMKCOSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000450482814 1196929813 /nfs/dbraw/zinc/92/98/13/1196929813.db2.gz DDRZGPNZSNPWQP-DXXZMKCOSA-N 1 3 388.556 0.974 20 0 GCADHO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@H](C)CN3CCN(C)CC3)C2)CC1 ZINC000531584713 1197085690 /nfs/dbraw/zinc/08/56/90/1197085690.db2.gz GZIMEUROZXTGCL-MOPGFXCFSA-N 1 3 380.581 0.432 20 0 GCADHO CN1CCN(CCCCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000531759057 1197095277 /nfs/dbraw/zinc/09/52/77/1197095277.db2.gz DWVWILKWQNLGAM-MOPGFXCFSA-N 1 3 381.565 0.691 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCN3CCOCC3(C)C)CC2)CC1 ZINC000170833914 1197155210 /nfs/dbraw/zinc/15/52/10/1197155210.db2.gz NGQOZTHVJMNNRI-UHFFFAOYSA-N 1 3 381.565 0.955 20 0 GCADHO Cn1cc(N2CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2)cn1 ZINC000174218517 1197179626 /nfs/dbraw/zinc/17/96/26/1197179626.db2.gz YTZUCHQFAWEFIW-UHFFFAOYSA-N 1 3 389.548 0.810 20 0 GCADHO C[NH+](C)CCN1C[C@@H](C(=O)NCC2(N3CCSCC3)CCCC2)CC1=O ZINC000174623097 1197182068 /nfs/dbraw/zinc/18/20/68/1197182068.db2.gz CBPHXHUYNGORCJ-INIZCTEOSA-N 1 3 382.574 0.874 20 0 GCADHO CCN1CCN(CCCNC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105319299 1197326437 /nfs/dbraw/zinc/32/64/37/1197326437.db2.gz ICXAGVSEVRSMDT-OALUTQOASA-N 1 3 393.576 0.463 20 0 GCADHO CCN1CCN(CCCNC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105319299 1197326440 /nfs/dbraw/zinc/32/64/40/1197326440.db2.gz ICXAGVSEVRSMDT-OALUTQOASA-N 1 3 393.576 0.463 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)[C@H](C[NH3+])C1 ZINC000418877405 1197389916 /nfs/dbraw/zinc/38/99/16/1197389916.db2.gz ORUSLGDLFOCOJC-FGTMMUONSA-N 1 3 376.501 0.240 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2)N1CC[NH+](C)CC1 ZINC000193915728 1197397880 /nfs/dbraw/zinc/39/78/80/1197397880.db2.gz MBDOYKTZBUTEJH-IBGZPJMESA-N 1 3 387.528 0.959 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000076983689 1197484578 /nfs/dbraw/zinc/48/45/78/1197484578.db2.gz CXRPDYJURBLTSP-QGZVFWFLSA-N 1 3 377.533 0.953 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000076983689 1197484580 /nfs/dbraw/zinc/48/45/80/1197484580.db2.gz CXRPDYJURBLTSP-QGZVFWFLSA-N 1 3 377.533 0.953 20 0 GCADHO O=C(NC[C@@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261794581 1197515108 /nfs/dbraw/zinc/51/51/08/1197515108.db2.gz IKCAJBBYOKWLCC-HOTGVXAUSA-N 1 3 391.516 0.431 20 0 GCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000672111577 1199108949 /nfs/dbraw/zinc/10/89/49/1199108949.db2.gz BOZADHBBGAZZFB-SJORKVTESA-N 1 3 395.548 0.034 20 0 GCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000672111196 1199110667 /nfs/dbraw/zinc/11/06/67/1199110667.db2.gz CNAJVCGGTCRVNC-IRXDYDNUSA-N 1 3 395.548 0.036 20 0 GCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672204346 1199159496 /nfs/dbraw/zinc/15/94/96/1199159496.db2.gz LPDQRVYMKYARFI-ZWKOTPCHSA-N 1 3 379.549 0.215 20 0 GCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672204346 1199159500 /nfs/dbraw/zinc/15/95/00/1199159500.db2.gz LPDQRVYMKYARFI-ZWKOTPCHSA-N 1 3 379.549 0.215 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656326731 1199173396 /nfs/dbraw/zinc/17/33/96/1199173396.db2.gz CLLAKDVOTIURTF-MKXGPGLRSA-N 1 3 392.544 0.614 20 0 GCADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000672305859 1199198477 /nfs/dbraw/zinc/19/84/77/1199198477.db2.gz GVRLJHULCMYCCF-SFHVURJKSA-N 1 3 392.544 0.690 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672310566 1199202567 /nfs/dbraw/zinc/20/25/67/1199202567.db2.gz ZHVTYUQJTYUYEK-INIZCTEOSA-N 1 3 380.533 0.593 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672310566 1199202575 /nfs/dbraw/zinc/20/25/75/1199202575.db2.gz ZHVTYUQJTYUYEK-INIZCTEOSA-N 1 3 380.533 0.593 20 0 GCADHO Cc1nccn1CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640875 1199298454 /nfs/dbraw/zinc/29/84/54/1199298454.db2.gz LEGIXUHPOGVFIV-QGZVFWFLSA-N 1 3 390.532 0.325 20 0 GCADHO Cc1nccn1CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640875 1199298457 /nfs/dbraw/zinc/29/84/57/1199298457.db2.gz LEGIXUHPOGVFIV-QGZVFWFLSA-N 1 3 390.532 0.325 20 0 GCADHO C[NH+]1CCN(c2ccc(CNC(=O)N3CCN(CCO)C(C)(C)C3)cn2)CC1 ZINC000672706206 1199320489 /nfs/dbraw/zinc/32/04/89/1199320489.db2.gz ASRVDKDNSAYRHM-UHFFFAOYSA-N 1 3 390.532 0.432 20 0 GCADHO COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000672859999 1199350180 /nfs/dbraw/zinc/35/01/80/1199350180.db2.gz NNJXTHLBKOQCKD-QGZVFWFLSA-N 1 3 392.500 0.587 20 0 GCADHO CO[C@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000543328405 1199658138 /nfs/dbraw/zinc/65/81/38/1199658138.db2.gz IOVSVVPZIVHVAT-HSFUPAIVSA-N 1 3 382.549 0.979 20 0 GCADHO CO[C@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000543328405 1199658145 /nfs/dbraw/zinc/65/81/45/1199658145.db2.gz IOVSVVPZIVHVAT-HSFUPAIVSA-N 1 3 382.549 0.979 20 0 GCADHO CO[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000543328405 1199658150 /nfs/dbraw/zinc/65/81/50/1199658150.db2.gz IOVSVVPZIVHVAT-HSFUPAIVSA-N 1 3 382.549 0.979 20 0 GCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1=O ZINC000673550175 1199781212 /nfs/dbraw/zinc/78/12/12/1199781212.db2.gz PTQSRXOEEOBVCC-IEBWSBKVSA-N 1 3 382.549 0.792 20 0 GCADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1=O ZINC000673550174 1199781682 /nfs/dbraw/zinc/78/16/82/1199781682.db2.gz PTQSRXOEEOBVCC-HKUYNNGSSA-N 1 3 382.549 0.792 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673584252 1199830258 /nfs/dbraw/zinc/83/02/58/1199830258.db2.gz ICTMWJSFCLFHME-ZWKOTPCHSA-N 1 3 380.533 0.423 20 0 GCADHO C[NH+]1CCN(C(=N)Nc2nc(Cl)c(F)cc2C(=O)N2CCOCC2)CC1 ZINC001168734878 1199871754 /nfs/dbraw/zinc/87/17/54/1199871754.db2.gz CNKRIEKJCQKOPU-UHFFFAOYSA-N 1 3 384.843 0.941 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCCOC)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001129003809 1200409002 /nfs/dbraw/zinc/40/90/02/1200409002.db2.gz HZHYRLFOZGBQFC-MLHJIOFPSA-N 1 3 378.521 0.777 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCCOC)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001129003809 1200409009 /nfs/dbraw/zinc/40/90/09/1200409009.db2.gz HZHYRLFOZGBQFC-MLHJIOFPSA-N 1 3 378.521 0.777 20 0 GCADHO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC(C)(C)N3CCCCC3)n2)CC1 ZINC000373317327 1200672508 /nfs/dbraw/zinc/67/25/08/1200672508.db2.gz IRPXHSMZYPXESM-UHFFFAOYSA-N 1 3 390.532 1.469 20 0 GCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000377090648 1200898657 /nfs/dbraw/zinc/89/86/57/1200898657.db2.gz BRPXIQJXZLBXNR-INIZCTEOSA-N 1 3 376.505 1.079 20 0 GCADHO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000923485545 1201040967 /nfs/dbraw/zinc/04/09/67/1201040967.db2.gz VKJHRMIGSPNZQU-OAHLLOKOSA-N 1 3 398.504 0.329 20 0 GCADHO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000923488951 1201043406 /nfs/dbraw/zinc/04/34/06/1201043406.db2.gz CGFNCCCSQPAWCS-MRXNPFEDSA-N 1 3 380.514 0.190 20 0 GCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373338552 1201053149 /nfs/dbraw/zinc/05/31/49/1201053149.db2.gz SVUAVBQUIJOZOA-HNNXBMFYSA-N 1 3 376.505 1.079 20 0 GCADHO C[C@@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079724773 1201255120 /nfs/dbraw/zinc/25/51/20/1201255120.db2.gz CTXDMGQJHUZNCK-KLHDSHLOSA-N 1 3 393.532 0.484 20 0 GCADHO C[C@@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079724773 1201255124 /nfs/dbraw/zinc/25/51/24/1201255124.db2.gz CTXDMGQJHUZNCK-KLHDSHLOSA-N 1 3 393.532 0.484 20 0 GCADHO C[C@@H]1CN(C[C@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@@H](C)O1 ZINC000497513467 1201403818 /nfs/dbraw/zinc/40/38/18/1201403818.db2.gz ZPXIMOHDWURISN-FGDFAXGYSA-N 1 3 380.577 0.699 20 0 GCADHO C[C@@H]1CN(C[C@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@@H](C)O1 ZINC000497513467 1201403822 /nfs/dbraw/zinc/40/38/22/1201403822.db2.gz ZPXIMOHDWURISN-FGDFAXGYSA-N 1 3 380.577 0.699 20 0 GCADHO CCOC(=O)[C@@H]1CC[C@H](N2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CO1 ZINC001169389892 1201945116 /nfs/dbraw/zinc/94/51/16/1201945116.db2.gz UCVQSQVSMVVOLN-HKUYNNGSSA-N 1 3 391.512 0.921 20 0 GCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109419575 1202042027 /nfs/dbraw/zinc/04/20/27/1202042027.db2.gz WEYRGGKVHKLWLS-YRXWBPOGSA-N 1 3 380.533 0.735 20 0 GCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109419575 1202042032 /nfs/dbraw/zinc/04/20/32/1202042032.db2.gz WEYRGGKVHKLWLS-YRXWBPOGSA-N 1 3 380.533 0.735 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000787910212 1205407139 /nfs/dbraw/zinc/40/71/39/1205407139.db2.gz KLYOMSARAMLPHZ-RDGPPVDQSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000787910212 1205407142 /nfs/dbraw/zinc/40/71/42/1205407142.db2.gz KLYOMSARAMLPHZ-RDGPPVDQSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000787909846 1205407537 /nfs/dbraw/zinc/40/75/37/1205407537.db2.gz KLYOMSARAMLPHZ-FCGDIQPGSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000787909846 1205407540 /nfs/dbraw/zinc/40/75/40/1205407540.db2.gz KLYOMSARAMLPHZ-FCGDIQPGSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000787901137 1205409162 /nfs/dbraw/zinc/40/91/62/1205409162.db2.gz AINCGAXVCIHBPX-KZNAEPCWSA-N 1 3 380.533 0.737 20 0 GCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000787901137 1205409163 /nfs/dbraw/zinc/40/91/63/1205409163.db2.gz AINCGAXVCIHBPX-KZNAEPCWSA-N 1 3 380.533 0.737 20 0 GCADHO O=C1O[C@]2(CN1CN1CCC(CN3CCOCC3)CC1)C[NH+]1CCC2CC1 ZINC000790371176 1205463886 /nfs/dbraw/zinc/46/38/86/1205463886.db2.gz VJOIHPDRCURINO-FQEVSTJZSA-N 1 3 378.517 0.905 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)N1CCCCC1 ZINC000793728559 1205503527 /nfs/dbraw/zinc/50/35/27/1205503527.db2.gz VLMSRWKVFAEUIM-GOSISDBHSA-N 1 3 393.576 0.463 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)N1CCCCC1 ZINC000793699143 1205504463 /nfs/dbraw/zinc/50/44/63/1205504463.db2.gz MKFQTLTZRALRGJ-QGZVFWFLSA-N 1 3 382.549 0.936 20 0 GCADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)([NH+](C)C)C1 ZINC000793815134 1205507424 /nfs/dbraw/zinc/50/74/24/1205507424.db2.gz WFQUWFTYPCCJCG-VIPLHTEESA-N 1 3 380.533 0.593 20 0 GCADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000793872025 1205508410 /nfs/dbraw/zinc/50/84/10/1205508410.db2.gz WRDMURGCGTUVHR-RBUKOAKNSA-N 1 3 388.512 0.734 20 0 GCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000793872025 1205508411 /nfs/dbraw/zinc/50/84/11/1205508411.db2.gz WRDMURGCGTUVHR-RBUKOAKNSA-N 1 3 388.512 0.734 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCCCC1 ZINC000808344763 1205605791 /nfs/dbraw/zinc/60/57/91/1205605791.db2.gz WYBAHHUSZVKREK-KBAYOESNSA-N 1 3 380.533 0.471 20 0 GCADHO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172110502 1205713255 /nfs/dbraw/zinc/71/32/55/1205713255.db2.gz NSRCIVDFZGKPGQ-OJFNHCPVSA-N 1 3 382.505 0.162 20 0 GCADHO CCN1CC[C@H](N(C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001173363193 1205720093 /nfs/dbraw/zinc/72/00/93/1205720093.db2.gz JOBNSQROQAIGFH-IEZWGBDMSA-N 1 3 379.480 0.911 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cc[nH]n2)[C@H](O)OC(C)(C)C)C1 ZINC001175762212 1205741000 /nfs/dbraw/zinc/74/10/00/1205741000.db2.gz QIMDXQZJMQBGQJ-GIVGJKMXSA-N 1 3 397.520 0.248 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001177875354 1205777569 /nfs/dbraw/zinc/77/75/69/1205777569.db2.gz WPJKLFVEJFLYNA-AJFIWVJRSA-N 1 3 396.532 0.853 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001177875355 1205777768 /nfs/dbraw/zinc/77/77/68/1205777768.db2.gz WPJKLFVEJFLYNA-AOILIUCDSA-N 1 3 396.532 0.853 20 0 GCADHO CC(C)[C@H](O)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001179607724 1205812322 /nfs/dbraw/zinc/81/23/22/1205812322.db2.gz XIHWPCFADAOQFK-QPMXBGOESA-N 1 3 389.537 0.299 20 0 GCADHO CC(C)[C@H](O)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001179607726 1205812467 /nfs/dbraw/zinc/81/24/67/1205812467.db2.gz XIHWPCFADAOQFK-ZRNNSCFXSA-N 1 3 389.537 0.299 20 0 GCADHO CO[C@H](C)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001181459756 1205844249 /nfs/dbraw/zinc/84/42/49/1205844249.db2.gz HPLXJXQZIBMPKF-WQKXAZGZSA-N 1 3 375.510 0.317 20 0 GCADHO CO[C@H](C)CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001181601935 1205847423 /nfs/dbraw/zinc/84/74/23/1205847423.db2.gz SARUGUZCFSLKQO-NTZVIRLSSA-N 1 3 389.537 0.707 20 0 GCADHO CN1CCC(O)(C(=O)N2CCCn3cnc(COCC[NH+](C)C)c3C2)CC1 ZINC001182031098 1205853911 /nfs/dbraw/zinc/85/39/11/1205853911.db2.gz LSBBPJMQWAJTAK-UHFFFAOYSA-N 1 3 379.505 0.150 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cccnn2)[C@@H](O)OC(C)(C)C)C1 ZINC001188678730 1205988921 /nfs/dbraw/zinc/98/89/21/1205988921.db2.gz AXEHBAWFJVFEEZ-RQFGQTSKSA-N 1 3 395.504 0.386 20 0 GCADHO Cc1nn2cccnc2c1S(=O)(=O)N(CCN(C)C)C1CC[NH+](C)CC1 ZINC001189383454 1206003169 /nfs/dbraw/zinc/00/31/69/1206003169.db2.gz ONBHOTJVVMFQGT-UHFFFAOYSA-N 1 3 380.518 0.684 20 0 GCADHO c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nnc1OC1CC[NH2+]CC1 ZINC001164745814 720769207 /nfs/dbraw/zinc/76/92/07/720769207.db2.gz VWPROYGSYWMZFD-WBVHZDCISA-N 1 3 397.483 0.739 20 0 GCADHO Cn1cc(CN2CC[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@H]3C2)cn1 ZINC001164773655 721143096 /nfs/dbraw/zinc/14/30/96/721143096.db2.gz YNLMYXFQKCKTIV-ZWKOTPCHSA-N 1 3 382.516 0.578 20 0 GCADHO Cn1cc(CN2CC[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@@H]3C2)cn1 ZINC001164773651 721143717 /nfs/dbraw/zinc/14/37/17/721143717.db2.gz YNLMYXFQKCKTIV-ROUUACIJSA-N 1 3 382.516 0.578 20 0 GCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001571283117 945876654 /nfs/dbraw/zinc/87/66/54/945876654.db2.gz ZMLLCBRRUOTMFQ-XJKCOSOUSA-N 1 3 387.463 0.942 20 0 GCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001571283117 945876668 /nfs/dbraw/zinc/87/66/68/945876668.db2.gz ZMLLCBRRUOTMFQ-XJKCOSOUSA-N 1 3 387.463 0.942 20 0 GCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001571283117 945876678 /nfs/dbraw/zinc/87/66/78/945876678.db2.gz ZMLLCBRRUOTMFQ-XJKCOSOUSA-N 1 3 387.463 0.942 20 0 GCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001571283117 945876684 /nfs/dbraw/zinc/87/66/84/945876684.db2.gz ZMLLCBRRUOTMFQ-XJKCOSOUSA-N 1 3 387.463 0.942 20 0 GCADHO CCc1nnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(-c2nnn[n-]2)c1CC ZINC001571285219 945911023 /nfs/dbraw/zinc/91/10/23/945911023.db2.gz ZOSKSRNQEAUBSW-ZIAGYGMSSA-N 1 3 387.536 0.957 20 0 GCADHO CCc1nnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(-c2nn[n-]n2)c1CC ZINC001571285219 945911035 /nfs/dbraw/zinc/91/10/35/945911035.db2.gz ZOSKSRNQEAUBSW-ZIAGYGMSSA-N 1 3 387.536 0.957 20 0 GCADHO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574930661 949104689 /nfs/dbraw/zinc/10/46/89/949104689.db2.gz LGINVCMVZKLWMK-CQSZACIVSA-N 1 3 387.488 0.572 20 0 GCADHO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574930661 949104700 /nfs/dbraw/zinc/10/47/00/949104700.db2.gz LGINVCMVZKLWMK-CQSZACIVSA-N 1 3 387.488 0.572 20 0 GCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711824 949554969 /nfs/dbraw/zinc/55/49/69/949554969.db2.gz MRENOUYMJBLSBO-OLZOCXBDSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711824 949554979 /nfs/dbraw/zinc/55/49/79/949554979.db2.gz MRENOUYMJBLSBO-OLZOCXBDSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575080708 951714533 /nfs/dbraw/zinc/71/45/33/951714533.db2.gz NDCZKKFJZIAWRB-CHWSQXEVSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575080708 951714537 /nfs/dbraw/zinc/71/45/37/951714537.db2.gz NDCZKKFJZIAWRB-CHWSQXEVSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575080708 951714541 /nfs/dbraw/zinc/71/45/41/951714541.db2.gz NDCZKKFJZIAWRB-CHWSQXEVSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575080708 951714545 /nfs/dbraw/zinc/71/45/45/951714545.db2.gz NDCZKKFJZIAWRB-CHWSQXEVSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575101513 951860146 /nfs/dbraw/zinc/86/01/46/951860146.db2.gz GEOITPWCNZNAOT-JSGCOSHPSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575101513 951860150 /nfs/dbraw/zinc/86/01/50/951860150.db2.gz GEOITPWCNZNAOT-JSGCOSHPSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575101513 951860155 /nfs/dbraw/zinc/86/01/55/951860155.db2.gz GEOITPWCNZNAOT-JSGCOSHPSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575101513 951860159 /nfs/dbraw/zinc/86/01/59/951860159.db2.gz GEOITPWCNZNAOT-JSGCOSHPSA-N 1 3 375.452 0.894 20 0 GCADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001571190074 952939575 /nfs/dbraw/zinc/93/95/75/952939575.db2.gz DQVRVWACTFFYSA-KSZLIROESA-N 1 3 381.484 0.945 20 0 GCADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001571190074 952939578 /nfs/dbraw/zinc/93/95/78/952939578.db2.gz DQVRVWACTFFYSA-KSZLIROESA-N 1 3 381.484 0.945 20 0 GCADHO CN(C)CCSCC(=O)N1CCN(C(=O)CSCC[NH+](C)C)CC1 ZINC000535255319 530499832 /nfs/dbraw/zinc/49/98/32/530499832.db2.gz OHOCEYIXDVXKDF-UHFFFAOYSA-N 1 3 376.592 0.247 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000584509199 530917113 /nfs/dbraw/zinc/91/71/13/530917113.db2.gz IFYMWJDBQUKIBQ-UHFFFAOYSA-N 1 3 386.294 0.734 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000527289937 530997468 /nfs/dbraw/zinc/99/74/68/530997468.db2.gz SQHYXLSCOXIIAW-UHFFFAOYSA-N 1 3 376.548 0.786 20 0 GCADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000652349668 1192200124 /nfs/dbraw/zinc/20/01/24/1192200124.db2.gz YNGCAYIUBNAZLT-KZNAEPCWSA-N 1 3 388.516 0.344 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000661979459 1192210404 /nfs/dbraw/zinc/21/04/04/1192210404.db2.gz XIDMSUYMKRRVFO-SFHVURJKSA-N 1 3 393.532 0.189 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662445853 1192297069 /nfs/dbraw/zinc/29/70/69/1192297069.db2.gz WCZRSXKAAUGCKN-UHFFFAOYSA-N 1 3 377.489 0.768 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643502285 1192368930 /nfs/dbraw/zinc/36/89/30/1192368930.db2.gz BXKDZOSLJMFIGG-FHWLQOOXSA-N 1 3 394.560 0.794 20 0 GCADHO C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@@H](N3CCOCC3)CC2)CC1 ZINC000663579809 1192401545 /nfs/dbraw/zinc/40/15/45/1192401545.db2.gz JJNBQGGYXMMBIE-LJQANCHMSA-N 1 3 381.565 0.909 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)N1CCC(C)CC1 ZINC000652677883 1192475781 /nfs/dbraw/zinc/47/57/81/1192475781.db2.gz KZJMRYQJAPUXAJ-HCXYKTFWSA-N 1 3 394.560 0.968 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)N1CCC(C)CC1 ZINC000652677885 1192475918 /nfs/dbraw/zinc/47/59/18/1192475918.db2.gz KZJMRYQJAPUXAJ-YDZRNGNQSA-N 1 3 394.560 0.968 20 0 GCADHO CC(C)[NH+]1CCC(N2CCN(C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000433463792 1192486447 /nfs/dbraw/zinc/48/64/47/1192486447.db2.gz AMQWYBLDBJPWBP-ZVDOUQERSA-N 1 3 382.593 0.947 20 0 GCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000509735680 1192530858 /nfs/dbraw/zinc/53/08/58/1192530858.db2.gz GDMMVFVYGFKGQB-WMZOPIPTSA-N 1 3 380.533 0.546 20 0 GCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000509735680 1192530861 /nfs/dbraw/zinc/53/08/61/1192530861.db2.gz GDMMVFVYGFKGQB-WMZOPIPTSA-N 1 3 380.533 0.546 20 0 GCADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418783168 1192644790 /nfs/dbraw/zinc/64/47/90/1192644790.db2.gz OBFYXJHLWQPMCR-QUCCMNQESA-N 1 3 399.539 0.525 20 0 GCADHO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000418798093 1192647820 /nfs/dbraw/zinc/64/78/20/1192647820.db2.gz GVENUDMITSDQAF-GOSISDBHSA-N 1 3 394.560 0.986 20 0 GCADHO COC(=O)CCCNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000418826845 1192656902 /nfs/dbraw/zinc/65/69/02/1192656902.db2.gz CZLSCXWMRBYVPD-UHFFFAOYSA-N 1 3 390.484 0.166 20 0 GCADHO COc1ccc([C@H](CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)N(C)C)cc1OC ZINC000418828446 1192658327 /nfs/dbraw/zinc/65/83/27/1192658327.db2.gz HYXYLLMDWQUSDJ-HIFRSBDPSA-N 1 3 378.473 0.243 20 0 GCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000418869415 1192672870 /nfs/dbraw/zinc/67/28/70/1192672870.db2.gz XDMALWIZKGGVAU-MSOLQXFVSA-N 1 3 376.501 0.680 20 0 GCADHO N[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000418883292 1192678735 /nfs/dbraw/zinc/67/87/35/1192678735.db2.gz USGHOURRECCZDA-VQTJNVASSA-N 1 3 396.491 0.686 20 0 GCADHO N[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000418883292 1192678739 /nfs/dbraw/zinc/67/87/39/1192678739.db2.gz USGHOURRECCZDA-VQTJNVASSA-N 1 3 396.491 0.686 20 0 GCADHO CC1CCN([C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)c2ccccc2)CC1 ZINC000418944261 1192696912 /nfs/dbraw/zinc/69/69/12/1192696912.db2.gz MDADKXZWUPIFJU-GOSISDBHSA-N 1 3 376.501 0.355 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000418960957 1192702662 /nfs/dbraw/zinc/70/26/62/1192702662.db2.gz JJFDJIMADNZEOC-BPQIPLTHSA-N 1 3 376.501 0.588 20 0 GCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419020413 1192722080 /nfs/dbraw/zinc/72/20/80/1192722080.db2.gz FSRXAIGBVHUXRO-BFYDXBDKSA-N 1 3 391.520 0.137 20 0 GCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419020413 1192722084 /nfs/dbraw/zinc/72/20/84/1192722084.db2.gz FSRXAIGBVHUXRO-BFYDXBDKSA-N 1 3 391.520 0.137 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419026766 1192728585 /nfs/dbraw/zinc/72/85/85/1192728585.db2.gz NSCOFKDJQNKPDA-UKBAYJJMSA-N 1 3 394.560 0.968 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419030163 1192729421 /nfs/dbraw/zinc/72/94/21/1192729421.db2.gz SPMHZLATADCCRH-IKGGRYGDSA-N 1 3 395.548 0.069 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000419044389 1192737885 /nfs/dbraw/zinc/73/78/85/1192737885.db2.gz PTLYAGKIKCDDBN-GDBMZVCRSA-N 1 3 384.521 0.221 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)[C@H](C)C1 ZINC000419044188 1192738373 /nfs/dbraw/zinc/73/83/73/1192738373.db2.gz SOJFLIADKWCUIQ-QZWWFDLISA-N 1 3 398.548 0.469 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)[C@H](C)C1 ZINC000419044188 1192738376 /nfs/dbraw/zinc/73/83/76/1192738376.db2.gz SOJFLIADKWCUIQ-QZWWFDLISA-N 1 3 398.548 0.469 20 0 GCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000419083479 1192777943 /nfs/dbraw/zinc/77/79/43/1192777943.db2.gz RJJIUEOAXDCEJU-ZTFGCOKTSA-N 1 3 376.501 1.000 20 0 GCADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000419120597 1192793672 /nfs/dbraw/zinc/79/36/72/1192793672.db2.gz CNFBBDBXKIXZAM-QZTJIDSGSA-N 1 3 375.517 0.191 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN(C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419114723 1192800818 /nfs/dbraw/zinc/80/08/18/1192800818.db2.gz SIGUHFKXZVTEDG-RYQLBKOJSA-N 1 3 376.501 0.588 20 0 GCADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)C(C)(C)C ZINC000419131842 1192806168 /nfs/dbraw/zinc/80/61/68/1192806168.db2.gz HAFZNYWBPJTKFO-HOTGVXAUSA-N 1 3 393.536 0.383 20 0 GCADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419160463 1192818232 /nfs/dbraw/zinc/81/82/32/1192818232.db2.gz HLIMUYVLDOZFAB-MSOLQXFVSA-N 1 3 376.501 0.445 20 0 GCADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419161464 1192819031 /nfs/dbraw/zinc/81/90/31/1192819031.db2.gz IYQYIDVYDHRLST-MSOLQXFVSA-N 1 3 376.501 0.364 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])N1CCC(C)CC1 ZINC000419162030 1192820803 /nfs/dbraw/zinc/82/08/03/1192820803.db2.gz SWGJZPBXBPYSCU-DLBZAZTESA-N 1 3 395.548 0.069 20 0 GCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419161880 1192821096 /nfs/dbraw/zinc/82/10/96/1192821096.db2.gz FLYOSSSQSQOQRU-QRQLOZEOSA-N 1 3 388.512 0.650 20 0 GCADHO [NH3+]C1CCC(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000419163399 1192821116 /nfs/dbraw/zinc/82/11/16/1192821116.db2.gz JTZQFSMFZLEVDQ-ACBHZAAOSA-N 1 3 388.512 0.780 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1(C)C ZINC000419178412 1192828552 /nfs/dbraw/zinc/82/85/52/1192828552.db2.gz GAPQECBZLHIVBG-UHFFFAOYSA-N 1 3 375.517 0.116 20 0 GCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419167662 1192829195 /nfs/dbraw/zinc/82/91/95/1192829195.db2.gz QRYQWCLMVZCBEX-FUHWJXTLSA-N 1 3 376.501 0.365 20 0 GCADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419167986 1192829388 /nfs/dbraw/zinc/82/93/88/1192829388.db2.gz RFIUOXIMFNAYCR-RTBURBONSA-N 1 3 388.512 0.652 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC[C@@H]1[NH3+] ZINC000419168358 1192829627 /nfs/dbraw/zinc/82/96/27/1192829627.db2.gz RSQAKNYAORHXGB-QRQLOZEOSA-N 1 3 388.512 0.589 20 0 GCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419168818 1192829863 /nfs/dbraw/zinc/82/98/63/1192829863.db2.gz TUOMQLXVEAAEHJ-BHIYHBOVSA-N 1 3 388.512 0.589 20 0 GCADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000419194785 1192832571 /nfs/dbraw/zinc/83/25/71/1192832571.db2.gz UEBJMAJARUQCEF-APWZRJJASA-N 1 3 388.512 0.782 20 0 GCADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000419194785 1192832575 /nfs/dbraw/zinc/83/25/75/1192832575.db2.gz UEBJMAJARUQCEF-APWZRJJASA-N 1 3 388.512 0.782 20 0 GCADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CNCCO3)cc2)C1 ZINC000419196018 1192833041 /nfs/dbraw/zinc/83/30/41/1192833041.db2.gz AGWKSLIEDLBJJT-LPHOPBHVSA-N 1 3 388.512 0.639 20 0 GCADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CNCCO3)cc2)C1 ZINC000419196018 1192833045 /nfs/dbraw/zinc/83/30/45/1192833045.db2.gz AGWKSLIEDLBJJT-LPHOPBHVSA-N 1 3 388.512 0.639 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893741579 1192847501 /nfs/dbraw/zinc/84/75/01/1192847501.db2.gz SKBDUMDRINLCST-NMLBUPMWSA-N 1 3 394.560 0.995 20 0 GCADHO C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)ccn1 ZINC000893914312 1192875940 /nfs/dbraw/zinc/87/59/40/1192875940.db2.gz NJAMWYUPKLVMKR-ROUUACIJSA-N 1 3 391.516 0.763 20 0 GCADHO CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)CC2)CC1 ZINC000579700362 1184095985 /nfs/dbraw/zinc/09/59/85/1184095985.db2.gz NFXQCOIVINYKAA-PKOBYXMFSA-N 1 3 391.560 0.168 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654727292 1184105727 /nfs/dbraw/zinc/10/57/27/1184105727.db2.gz JKYCODDMABSXNV-MSOLQXFVSA-N 1 3 377.533 0.953 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654727292 1184105732 /nfs/dbraw/zinc/10/57/32/1184105732.db2.gz JKYCODDMABSXNV-MSOLQXFVSA-N 1 3 377.533 0.953 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654727295 1184105798 /nfs/dbraw/zinc/10/57/98/1184105798.db2.gz JKYCODDMABSXNV-ZWKOTPCHSA-N 1 3 377.533 0.953 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654727295 1184105803 /nfs/dbraw/zinc/10/58/03/1184105803.db2.gz JKYCODDMABSXNV-ZWKOTPCHSA-N 1 3 377.533 0.953 20 0 GCADHO CN(CCNC(=O)C1CC[NH+](CCC(=O)NC(N)=O)CC1)Cc1ccccc1 ZINC000471218827 1184462648 /nfs/dbraw/zinc/46/26/48/1184462648.db2.gz DWWVZSPCNJYVOA-UHFFFAOYSA-N 1 3 389.500 0.532 20 0 GCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000579980257 1184877270 /nfs/dbraw/zinc/87/72/70/1184877270.db2.gz QQJZHQXXRXHUFQ-SJORKVTESA-N 1 3 395.548 0.069 20 0 GCADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656027585 1184962905 /nfs/dbraw/zinc/96/29/05/1184962905.db2.gz DNOAJUHTZFRYGQ-FCGDIQPGSA-N 1 3 392.544 0.864 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cncnc1N(C)C ZINC000275792959 1185058054 /nfs/dbraw/zinc/05/80/54/1185058054.db2.gz CJLZMYMYWYZLGD-OAHLLOKOSA-N 1 3 391.520 0.356 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cncnc1N(C)C ZINC000275792959 1185058062 /nfs/dbraw/zinc/05/80/62/1185058062.db2.gz CJLZMYMYWYZLGD-OAHLLOKOSA-N 1 3 391.520 0.356 20 0 GCADHO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000683816068 1185073371 /nfs/dbraw/zinc/07/33/71/1185073371.db2.gz IYDKJZNZRXYZFC-QGZVFWFLSA-N 1 3 381.565 0.907 20 0 GCADHO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000683816068 1185073376 /nfs/dbraw/zinc/07/33/76/1185073376.db2.gz IYDKJZNZRXYZFC-QGZVFWFLSA-N 1 3 381.565 0.907 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000275801779 1185084204 /nfs/dbraw/zinc/08/42/04/1185084204.db2.gz DBXPONHKZLGJCY-INIZCTEOSA-N 1 3 378.521 0.850 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000275801779 1185084212 /nfs/dbraw/zinc/08/42/12/1185084212.db2.gz DBXPONHKZLGJCY-INIZCTEOSA-N 1 3 378.521 0.850 20 0 GCADHO O=C(C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000580184557 1185109767 /nfs/dbraw/zinc/10/97/67/1185109767.db2.gz HHDIHEAOYGUJBA-LWYYNNOASA-N 1 3 382.508 0.787 20 0 GCADHO CN1CCN(CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000580308085 1185148941 /nfs/dbraw/zinc/14/89/41/1185148941.db2.gz SBPBCZLWUZQZDR-RTBURBONSA-N 1 3 387.528 0.350 20 0 GCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCCO1 ZINC000580354457 1185196443 /nfs/dbraw/zinc/19/64/43/1185196443.db2.gz DXLKCMMDLLLCFZ-ZWKOTPCHSA-N 1 3 380.533 0.690 20 0 GCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCCO1 ZINC000580354457 1185196445 /nfs/dbraw/zinc/19/64/45/1185196445.db2.gz DXLKCMMDLLLCFZ-ZWKOTPCHSA-N 1 3 380.533 0.690 20 0 GCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000580561822 1185276047 /nfs/dbraw/zinc/27/60/47/1185276047.db2.gz YVQQDIKYSDBZLH-OALUTQOASA-N 1 3 388.512 0.652 20 0 GCADHO CCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000656287072 1185324863 /nfs/dbraw/zinc/32/48/63/1185324863.db2.gz XYGMQOAKUKBORX-KRWDZBQOSA-N 1 3 382.549 0.792 20 0 GCADHO CCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000656287072 1185324868 /nfs/dbraw/zinc/32/48/68/1185324868.db2.gz XYGMQOAKUKBORX-KRWDZBQOSA-N 1 3 382.549 0.792 20 0 GCADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000642792961 1185382662 /nfs/dbraw/zinc/38/26/62/1185382662.db2.gz QWRUDSVOZFKBPF-QGZVFWFLSA-N 1 3 375.517 0.164 20 0 GCADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656312118 1185389258 /nfs/dbraw/zinc/38/92/58/1185389258.db2.gz SKQAUXPDZAYVBA-ZWKOTPCHSA-N 1 3 392.544 0.881 20 0 GCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCO1 ZINC000656326135 1185418958 /nfs/dbraw/zinc/41/89/58/1185418958.db2.gz IQZXCUVCNHDUOV-KZNAEPCWSA-N 1 3 380.533 0.737 20 0 GCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCO1 ZINC000656326135 1185418964 /nfs/dbraw/zinc/41/89/64/1185418964.db2.gz IQZXCUVCNHDUOV-KZNAEPCWSA-N 1 3 380.533 0.737 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656326730 1185422569 /nfs/dbraw/zinc/42/25/69/1185422569.db2.gz CLLAKDVOTIURTF-MANSERQUSA-N 1 3 392.544 0.614 20 0 GCADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656353390 1185449657 /nfs/dbraw/zinc/44/96/57/1185449657.db2.gz ANRYNDQYNAJILU-ZWKOTPCHSA-N 1 3 380.533 0.689 20 0 GCADHO C[NH+](C)CCOCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000471637544 1185471949 /nfs/dbraw/zinc/47/19/49/1185471949.db2.gz XGHIPFOCDWQDGA-RBUKOAKNSA-N 1 3 378.517 0.747 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(C)COC2)[C@@H](O)OC(C)(C)C)C1 ZINC001143391328 1185602092 /nfs/dbraw/zinc/60/20/92/1185602092.db2.gz RMSYWVCVZYJKQT-JGFGOLAASA-N 1 3 387.521 0.319 20 0 GCADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1F ZINC000430606008 1185700290 /nfs/dbraw/zinc/70/02/90/1185700290.db2.gz VEVDTSRTINSEKG-ZBFHGGJFSA-N 1 3 394.491 0.968 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891482577 1185886707 /nfs/dbraw/zinc/88/67/07/1185886707.db2.gz KBZJSVDUTDSXKH-RTBURBONSA-N 1 3 387.528 0.943 20 0 GCADHO C[N@H+](CCOc1cccc(CNC(=O)COC2CNC2)c1)C1CCOCC1 ZINC000430899678 1186050269 /nfs/dbraw/zinc/05/02/69/1186050269.db2.gz JRPVBNRGJRIVKD-UHFFFAOYSA-N 1 3 377.485 0.781 20 0 GCADHO C[N@@H+](CCOc1cccc(CNC(=O)COC2CNC2)c1)C1CCOCC1 ZINC000430899678 1186050275 /nfs/dbraw/zinc/05/02/75/1186050275.db2.gz JRPVBNRGJRIVKD-UHFFFAOYSA-N 1 3 377.485 0.781 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891865449 1186107164 /nfs/dbraw/zinc/10/71/64/1186107164.db2.gz PGTRIXDWIGWRNF-WCVJEAGWSA-N 1 3 379.505 0.683 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)CC2)CC1 ZINC000151342791 1186286370 /nfs/dbraw/zinc/28/63/70/1186286370.db2.gz NTNHOTRQMRDWMK-ZWKOTPCHSA-N 1 3 377.533 0.998 20 0 GCADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1Cc2ccccc2CN1 ZINC000892107443 1186344899 /nfs/dbraw/zinc/34/48/99/1186344899.db2.gz JWVGOQGYYAFEDS-CVEARBPZSA-N 1 3 385.434 0.836 20 0 GCADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1Cc2ccccc2CN1 ZINC000892107445 1186345300 /nfs/dbraw/zinc/34/53/00/1186345300.db2.gz JWVGOQGYYAFEDS-HZPDHXFCSA-N 1 3 385.434 0.836 20 0 GCADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000582256239 1186476666 /nfs/dbraw/zinc/47/66/66/1186476666.db2.gz KCKFZCPLHZQPTQ-OALUTQOASA-N 1 3 395.592 0.613 20 0 GCADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000582256239 1186476669 /nfs/dbraw/zinc/47/66/69/1186476669.db2.gz KCKFZCPLHZQPTQ-OALUTQOASA-N 1 3 395.592 0.613 20 0 GCADHO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000582360842 1186503370 /nfs/dbraw/zinc/50/33/70/1186503370.db2.gz UGINYCKWRGDATH-SJORKVTESA-N 1 3 394.541 0.314 20 0 GCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000582441096 1186532371 /nfs/dbraw/zinc/53/23/71/1186532371.db2.gz NYIGZUOADUBZJT-INIZCTEOSA-N 1 3 391.516 0.418 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000582680704 1186608012 /nfs/dbraw/zinc/60/80/12/1186608012.db2.gz LRECSKAJIOBUDS-QZTJIDSGSA-N 1 3 379.549 0.073 20 0 GCADHO C[C@H](CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)CN1CCN(C)CC1 ZINC000074656111 1186626111 /nfs/dbraw/zinc/62/61/11/1186626111.db2.gz XGPXVQPVCNSTEV-MOPGFXCFSA-N 1 3 380.581 0.291 20 0 GCADHO C[C@H](CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)CN1CCN(C)CC1 ZINC000074656111 1186626117 /nfs/dbraw/zinc/62/61/17/1186626117.db2.gz XGPXVQPVCNSTEV-MOPGFXCFSA-N 1 3 380.581 0.291 20 0 GCADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000583012390 1186747727 /nfs/dbraw/zinc/74/77/27/1186747727.db2.gz SNIKYQDWMQBZCF-QGZVFWFLSA-N 1 3 382.468 0.665 20 0 GCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000685080858 1186773193 /nfs/dbraw/zinc/77/31/93/1186773193.db2.gz RLWSEHCGPRTYKK-IBGZPJMESA-N 1 3 395.592 0.567 20 0 GCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000685080858 1186773198 /nfs/dbraw/zinc/77/31/98/1186773198.db2.gz RLWSEHCGPRTYKK-IBGZPJMESA-N 1 3 395.592 0.567 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)CN1CCN(C)CC1 ZINC000583194944 1186793696 /nfs/dbraw/zinc/79/36/96/1186793696.db2.gz YCIIETUKAJKGLT-GOSISDBHSA-N 1 3 393.576 0.463 20 0 GCADHO CCn1cc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)ccc1=O ZINC000124602754 1186798866 /nfs/dbraw/zinc/79/88/66/1186798866.db2.gz FIMLPGUFSIVMMI-QGZVFWFLSA-N 1 3 391.516 0.681 20 0 GCADHO CCn1cc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)ccc1=O ZINC000124602754 1186798871 /nfs/dbraw/zinc/79/88/71/1186798871.db2.gz FIMLPGUFSIVMMI-QGZVFWFLSA-N 1 3 391.516 0.681 20 0 GCADHO CCc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)n(C)n1 ZINC000124658144 1186800128 /nfs/dbraw/zinc/80/01/28/1186800128.db2.gz ADMWFJOZXGECRJ-INIZCTEOSA-N 1 3 378.521 0.796 20 0 GCADHO CCc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)n(C)n1 ZINC000124658144 1186800132 /nfs/dbraw/zinc/80/01/32/1186800132.db2.gz ADMWFJOZXGECRJ-INIZCTEOSA-N 1 3 378.521 0.796 20 0 GCADHO CCN1CCN(CC(C)(C)NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000458450442 1186807730 /nfs/dbraw/zinc/80/77/30/1186807730.db2.gz ZNFIWVLBISTZIS-KRWDZBQOSA-N 1 3 396.580 0.289 20 0 GCADHO CCN1CCN(CC(C)(C)NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000458450442 1186807732 /nfs/dbraw/zinc/80/77/32/1186807732.db2.gz ZNFIWVLBISTZIS-KRWDZBQOSA-N 1 3 396.580 0.289 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000583285809 1186817757 /nfs/dbraw/zinc/81/77/57/1186817757.db2.gz QBVYSNMPCNCYHH-GUDVDZBRSA-N 1 3 392.544 0.567 20 0 GCADHO CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000278328272 1186890505 /nfs/dbraw/zinc/89/05/05/1186890505.db2.gz VYKAXUOLQONXHH-ZWKOTPCHSA-N 1 3 375.517 0.806 20 0 GCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000583670046 1186915602 /nfs/dbraw/zinc/91/56/02/1186915602.db2.gz HXVNVDAGWSGDDB-SJORKVTESA-N 1 3 388.516 1.174 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000583798232 1186941517 /nfs/dbraw/zinc/94/15/17/1186941517.db2.gz MQDQQAHINGBDAT-FQEVSTJZSA-N 1 3 398.548 0.519 20 0 GCADHO COC(=O)Cn1cc(CCN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000158104098 1186959958 /nfs/dbraw/zinc/95/99/58/1186959958.db2.gz MDOIEEHDPNJKMK-HOTGVXAUSA-N 1 3 379.505 0.815 20 0 GCADHO C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000458768228 1186982428 /nfs/dbraw/zinc/98/24/28/1186982428.db2.gz DXBVIAOWOWSCHH-KRWDZBQOSA-N 1 3 379.505 0.668 20 0 GCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611840125 1187047161 /nfs/dbraw/zinc/04/71/61/1187047161.db2.gz ZTARILXRHDSGAT-IAGOWNOFSA-N 1 3 380.533 0.593 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000685519783 1187141723 /nfs/dbraw/zinc/14/17/23/1187141723.db2.gz SGLQXCHJEYDREJ-GOSISDBHSA-N 1 3 380.533 0.546 20 0 GCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2O)CC[N@@H+]1C ZINC001023967503 1187199643 /nfs/dbraw/zinc/19/96/43/1187199643.db2.gz CIKHCNPUSCEWJJ-UTRMSSBJSA-N 1 3 388.512 0.390 20 0 GCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2O)CC[N@H+]1C ZINC001023967503 1187199646 /nfs/dbraw/zinc/19/96/46/1187199646.db2.gz CIKHCNPUSCEWJJ-UTRMSSBJSA-N 1 3 388.512 0.390 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc(CN(C)C)c3)C2)CC[N@@H+]1C ZINC001024128527 1187258396 /nfs/dbraw/zinc/25/83/96/1187258396.db2.gz TWFQFGHKJQHFRV-UTRMSSBJSA-N 1 3 388.512 0.390 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc(CN(C)C)c3)C2)CC[N@H+]1C ZINC001024128527 1187258398 /nfs/dbraw/zinc/25/83/98/1187258398.db2.gz TWFQFGHKJQHFRV-UTRMSSBJSA-N 1 3 388.512 0.390 20 0 GCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000612226618 1187415187 /nfs/dbraw/zinc/41/51/87/1187415187.db2.gz PKZXMHGPDWINAI-LJQANCHMSA-N 1 3 387.528 0.962 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612446808 1187493825 /nfs/dbraw/zinc/49/38/25/1187493825.db2.gz XLNFHDQJTLGPAP-GOSISDBHSA-N 1 3 393.576 0.606 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612446808 1187493826 /nfs/dbraw/zinc/49/38/26/1187493826.db2.gz XLNFHDQJTLGPAP-GOSISDBHSA-N 1 3 393.576 0.606 20 0 GCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000612484980 1187505359 /nfs/dbraw/zinc/50/53/59/1187505359.db2.gz JULIZUAPLNIAAF-RTBURBONSA-N 1 3 393.576 0.461 20 0 GCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000612484980 1187505361 /nfs/dbraw/zinc/50/53/61/1187505361.db2.gz JULIZUAPLNIAAF-RTBURBONSA-N 1 3 393.576 0.461 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000612484359 1187505715 /nfs/dbraw/zinc/50/57/15/1187505715.db2.gz GMGLFSYQFLZDAW-KRWDZBQOSA-N 1 3 382.549 0.528 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000612484359 1187505716 /nfs/dbraw/zinc/50/57/16/1187505716.db2.gz GMGLFSYQFLZDAW-KRWDZBQOSA-N 1 3 382.549 0.528 20 0 GCADHO O=C(NCC1CC[NH2+]CC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000570068064 1187513214 /nfs/dbraw/zinc/51/32/14/1187513214.db2.gz BPSYTMFLEVRGLW-IBGZPJMESA-N 1 3 388.512 0.510 20 0 GCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000612548657 1187520739 /nfs/dbraw/zinc/52/07/39/1187520739.db2.gz PLBHYDAWUCYMMH-OTWHNJEPSA-N 1 3 393.576 0.604 20 0 GCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000612548657 1187520743 /nfs/dbraw/zinc/52/07/43/1187520743.db2.gz PLBHYDAWUCYMMH-OTWHNJEPSA-N 1 3 393.576 0.604 20 0 GCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000612547121 1187522711 /nfs/dbraw/zinc/52/27/11/1187522711.db2.gz ZVAAHORTGYOYPX-SFHVURJKSA-N 1 3 393.576 0.463 20 0 GCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612593935 1187535034 /nfs/dbraw/zinc/53/50/34/1187535034.db2.gz HMOKDCLCFVUHOB-SFHVURJKSA-N 1 3 380.533 0.690 20 0 GCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612595264 1187535462 /nfs/dbraw/zinc/53/54/62/1187535462.db2.gz FRBMXDXDXPOAIF-ZWKOTPCHSA-N 1 3 380.533 0.689 20 0 GCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612595264 1187535465 /nfs/dbraw/zinc/53/54/65/1187535465.db2.gz FRBMXDXDXPOAIF-ZWKOTPCHSA-N 1 3 380.533 0.689 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000612595931 1187536544 /nfs/dbraw/zinc/53/65/44/1187536544.db2.gz LKVLNDFBYUSHNW-FUHWJXTLSA-N 1 3 378.517 0.300 20 0 GCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612596723 1187537459 /nfs/dbraw/zinc/53/74/59/1187537459.db2.gz SJKGQPKZACHCGX-SJLPKXTDSA-N 1 3 380.533 0.546 20 0 GCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612596723 1187537465 /nfs/dbraw/zinc/53/74/65/1187537465.db2.gz SJKGQPKZACHCGX-SJLPKXTDSA-N 1 3 380.533 0.546 20 0 GCADHO CN1CCC[C@@H](NC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612870432 1187608792 /nfs/dbraw/zinc/60/87/92/1187608792.db2.gz CVFRSHPEKGDKMN-JKSUJKDBSA-N 1 3 375.521 0.803 20 0 GCADHO CN1CCC[C@@H](NC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612870431 1187608845 /nfs/dbraw/zinc/60/88/45/1187608845.db2.gz CVFRSHPEKGDKMN-HZPDHXFCSA-N 1 3 375.521 0.803 20 0 GCADHO CN1CCC[C@H]1CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612876645 1187609987 /nfs/dbraw/zinc/60/99/87/1187609987.db2.gz MNEPPKKHGWZNLO-HOTGVXAUSA-N 1 3 375.521 0.803 20 0 GCADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612880790 1187611088 /nfs/dbraw/zinc/61/10/88/1187611088.db2.gz JYQBCUQAULKCFT-CVEARBPZSA-N 1 3 387.532 0.945 20 0 GCADHO C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)n1 ZINC000173919245 1187742756 /nfs/dbraw/zinc/74/27/56/1187742756.db2.gz AIKPZQXGGJJZCV-GOSISDBHSA-N 1 3 386.500 0.985 20 0 GCADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)CC2)C[C@H](C)O1 ZINC000658987243 1187831107 /nfs/dbraw/zinc/83/11/07/1187831107.db2.gz NJCUIVHCXPCYFE-OGWHTMIXSA-N 1 3 392.544 0.497 20 0 GCADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)CC2)C[C@H](C)O1 ZINC000658987243 1187831112 /nfs/dbraw/zinc/83/11/12/1187831112.db2.gz NJCUIVHCXPCYFE-OGWHTMIXSA-N 1 3 392.544 0.497 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000659027314 1187846131 /nfs/dbraw/zinc/84/61/31/1187846131.db2.gz QFRHNDUYITWKGD-GOSISDBHSA-N 1 3 379.549 0.168 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000659027314 1187846137 /nfs/dbraw/zinc/84/61/37/1187846137.db2.gz QFRHNDUYITWKGD-GOSISDBHSA-N 1 3 379.549 0.168 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000659073676 1187864097 /nfs/dbraw/zinc/86/40/97/1187864097.db2.gz GFUHOIPUYGQDIH-SFHVURJKSA-N 1 3 389.500 0.299 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc2)CC1 ZINC000659096955 1187877603 /nfs/dbraw/zinc/87/76/03/1187877603.db2.gz MDVLAXKYHKESEB-UHFFFAOYSA-N 1 3 375.517 0.958 20 0 GCADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659110746 1187885877 /nfs/dbraw/zinc/88/58/77/1187885877.db2.gz RYJZPNFQWXPMCB-UHFFFAOYSA-N 1 3 386.456 0.738 20 0 GCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000659110878 1187886397 /nfs/dbraw/zinc/88/63/97/1187886397.db2.gz DKXNCNBQPDFWLY-PBHICJAKSA-N 1 3 389.500 0.515 20 0 GCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000659112750 1187889595 /nfs/dbraw/zinc/88/95/95/1187889595.db2.gz KYJRQMSMDFVNRE-DOTOQJQBSA-N 1 3 384.484 0.993 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000659470459 1187962502 /nfs/dbraw/zinc/96/25/02/1187962502.db2.gz BUOBHWLVQHOAIQ-GJZGRUSLSA-N 1 3 378.477 0.208 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000659582121 1187973162 /nfs/dbraw/zinc/97/31/62/1187973162.db2.gz PKDTYZYJEVNSBR-IUODEOHRSA-N 1 3 392.410 0.864 20 0 GCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659608312 1187976026 /nfs/dbraw/zinc/97/60/26/1187976026.db2.gz MPPWWEPLDLHOBR-SJORKVTESA-N 1 3 381.521 0.269 20 0 GCADHO O=C(C(=O)N1CC[NH+](CC2CCOCC2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000659688162 1187998301 /nfs/dbraw/zinc/99/83/01/1187998301.db2.gz GSZZLKBPYBPCTJ-GOSISDBHSA-N 1 3 376.501 0.030 20 0 GCADHO C[N@H+](CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CCCCC1 ZINC000659697920 1188000029 /nfs/dbraw/zinc/00/00/29/1188000029.db2.gz LEXNHLAXVUJPNC-UHFFFAOYSA-N 1 3 378.477 0.028 20 0 GCADHO C[N@@H+](CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CCCCC1 ZINC000659697920 1188000033 /nfs/dbraw/zinc/00/00/33/1188000033.db2.gz LEXNHLAXVUJPNC-UHFFFAOYSA-N 1 3 378.477 0.028 20 0 GCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCSC1 ZINC000659702086 1188005314 /nfs/dbraw/zinc/00/53/14/1188005314.db2.gz NXNDHRICNHDCPT-VQIMIIECSA-N 1 3 382.574 0.778 20 0 GCADHO CN(C(=O)C(=O)NCC1([NH3+])CCCC1)C1CCN(CCc2ccccn2)CC1 ZINC000659732808 1188019585 /nfs/dbraw/zinc/01/95/85/1188019585.db2.gz OHXMSERWEARQCD-UHFFFAOYSA-N 1 3 387.528 0.935 20 0 GCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000415369954 1188062910 /nfs/dbraw/zinc/06/29/10/1188062910.db2.gz NCAQXNRTMGIJAD-MRXNPFEDSA-N 1 3 389.500 0.309 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)cc2)CC1 ZINC000415468951 1188087922 /nfs/dbraw/zinc/08/79/22/1188087922.db2.gz WJAGKXQCLRYNGY-VQIMIIECSA-N 1 3 387.528 0.958 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH2+]C)cc2)CC1 ZINC000415490418 1188090352 /nfs/dbraw/zinc/09/03/52/1188090352.db2.gz YJLGMPRXKBKORG-LJQANCHMSA-N 1 3 387.528 0.973 20 0 GCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000415657446 1188134362 /nfs/dbraw/zinc/13/43/62/1188134362.db2.gz NSHIXFLYCHJJKF-MRXNPFEDSA-N 1 3 375.517 0.877 20 0 GCADHO CN(C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)C1C[NH2+]C1 ZINC000415729307 1188153100 /nfs/dbraw/zinc/15/31/00/1188153100.db2.gz BPSOSXYBXMJKBM-INIZCTEOSA-N 1 3 387.484 0.222 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000415898936 1189400468 /nfs/dbraw/zinc/40/04/68/1189400468.db2.gz UEWKALJKKAXZPS-RTBURBONSA-N 1 3 399.539 0.831 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415968192 1189410570 /nfs/dbraw/zinc/41/05/70/1189410570.db2.gz XMHSVWXAUDOZDP-QAPCUYQASA-N 1 3 388.516 0.962 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415968190 1189411024 /nfs/dbraw/zinc/41/10/24/1189411024.db2.gz XMHSVWXAUDOZDP-CRAIPNDOSA-N 1 3 388.516 0.962 20 0 GCADHO C[C@@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000378313742 1189472028 /nfs/dbraw/zinc/47/20/28/1189472028.db2.gz GULIXYUHUWRJPY-APWZRJJASA-N 1 3 396.557 0.671 20 0 GCADHO C[C@@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000378313742 1189472031 /nfs/dbraw/zinc/47/20/31/1189472031.db2.gz GULIXYUHUWRJPY-APWZRJJASA-N 1 3 396.557 0.671 20 0 GCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CN4CCN3CCC4)cc2)C1 ZINC000378320660 1189474660 /nfs/dbraw/zinc/47/46/60/1189474660.db2.gz VOEDIVLGSHRSPN-IEBWSBKVSA-N 1 3 385.512 0.712 20 0 GCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CN4CCN3CCC4)cc2)C1 ZINC000378320660 1189474664 /nfs/dbraw/zinc/47/46/64/1189474664.db2.gz VOEDIVLGSHRSPN-IEBWSBKVSA-N 1 3 385.512 0.712 20 0 GCADHO CN1CCN(CCCNC(=O)N2CCO[C@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000417015988 1189608001 /nfs/dbraw/zinc/60/80/01/1189608001.db2.gz HUFRISQLJBBFQV-RTBURBONSA-N 1 3 375.517 0.734 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)NCCN1CC[NH2+]CC1 ZINC000417012744 1189608036 /nfs/dbraw/zinc/60/80/36/1189608036.db2.gz ARKDDWCKVLDARQ-UHFFFAOYSA-N 1 3 388.560 0.399 20 0 GCADHO CN1CCN(CCCNC(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000417014819 1189608096 /nfs/dbraw/zinc/60/80/96/1189608096.db2.gz FYHUKMSCIUXZKW-RBUKOAKNSA-N 1 3 375.517 0.653 20 0 GCADHO [NH3+]C[C@@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCCO1 ZINC000417028110 1189609777 /nfs/dbraw/zinc/60/97/77/1189609777.db2.gz ULPWPTQAHWGYGV-HXUWFJFHSA-N 1 3 389.544 0.954 20 0 GCADHO [NH3+]C[C@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCCO1 ZINC000417028108 1189609920 /nfs/dbraw/zinc/60/99/20/1189609920.db2.gz ULPWPTQAHWGYGV-FQEVSTJZSA-N 1 3 389.544 0.954 20 0 GCADHO COCCN(C)CCOc1cccc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000417459050 1189668585 /nfs/dbraw/zinc/66/85/85/1189668585.db2.gz LMZLQAKIQHWTIB-IBGZPJMESA-N 1 3 394.516 0.903 20 0 GCADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCCO1 ZINC000364331908 1189752083 /nfs/dbraw/zinc/75/20/83/1189752083.db2.gz MVFVDFAGNHWICO-QZTJIDSGSA-N 1 3 395.548 0.435 20 0 GCADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCCO1 ZINC000364331908 1189752089 /nfs/dbraw/zinc/75/20/89/1189752089.db2.gz MVFVDFAGNHWICO-QZTJIDSGSA-N 1 3 395.548 0.435 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693621 1189775785 /nfs/dbraw/zinc/77/57/85/1189775785.db2.gz YTUWTNGVGCPFFP-FJIDUMEYSA-N 1 3 394.560 0.968 20 0 GCADHO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364940065 1189907098 /nfs/dbraw/zinc/90/70/98/1189907098.db2.gz BITISQJGVXRUKP-ROUUACIJSA-N 1 3 393.576 0.448 20 0 GCADHO CN1CCN(C(=O)CC[N@H+](C)CCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000511855580 1189910259 /nfs/dbraw/zinc/91/02/59/1189910259.db2.gz PDHUHTCNBFOTJA-UHFFFAOYSA-N 1 3 387.572 0.900 20 0 GCADHO CN1CCN(C(=O)CC[N@@H+](C)CCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000511855580 1189910261 /nfs/dbraw/zinc/91/02/61/1189910261.db2.gz PDHUHTCNBFOTJA-UHFFFAOYSA-N 1 3 387.572 0.900 20 0 GCADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C(C)(C)C ZINC000668942846 1189920358 /nfs/dbraw/zinc/92/03/58/1189920358.db2.gz OSCUYLBFPNKRRF-DLBZAZTESA-N 1 3 382.549 0.839 20 0 GCADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000662755043 1190021324 /nfs/dbraw/zinc/02/13/24/1190021324.db2.gz CIUCOVLCVYBUDW-QYZOEREBSA-N 1 3 387.528 0.806 20 0 GCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1=O ZINC000662866090 1190061892 /nfs/dbraw/zinc/06/18/92/1190061892.db2.gz CXFGKZRJSOVGNL-KBAYOESNSA-N 1 3 376.476 0.798 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000664006691 1193751771 /nfs/dbraw/zinc/75/17/71/1193751771.db2.gz KQEWJDGHSCFQSN-UHFFFAOYSA-N 1 3 383.537 0.293 20 0 GCADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000512831825 1193781721 /nfs/dbraw/zinc/78/17/21/1193781721.db2.gz FGQNXXIFLWLSAQ-HKUYNNGSSA-N 1 3 387.528 0.811 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000419330639 1193823151 /nfs/dbraw/zinc/82/31/51/1193823151.db2.gz GNHFOLNHQMIXSR-IBGZPJMESA-N 1 3 389.544 0.540 20 0 GCADHO CN(C)[C@H]1CN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1O ZINC000664080316 1193840337 /nfs/dbraw/zinc/84/03/37/1193840337.db2.gz PRBRUOWKVWZROP-OALUTQOASA-N 1 3 376.501 0.978 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000419345627 1193840518 /nfs/dbraw/zinc/84/05/18/1193840518.db2.gz UJQJSKLCMJDYDM-IBGZPJMESA-N 1 3 387.528 0.309 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCCC[NH2+]C)CC1 ZINC000419347137 1193843209 /nfs/dbraw/zinc/84/32/09/1193843209.db2.gz WJVYZFQWRNOKOE-UHFFFAOYSA-N 1 3 375.517 0.166 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000419348678 1193843218 /nfs/dbraw/zinc/84/32/18/1193843218.db2.gz XWUWIAGNBWDCJZ-UHFFFAOYSA-N 1 3 387.528 0.390 20 0 GCADHO CSC[C@@H](C)NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419354925 1193854775 /nfs/dbraw/zinc/85/47/75/1193854775.db2.gz DSQMSJPRFGYZKK-OAHLLOKOSA-N 1 3 378.542 0.964 20 0 GCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000571455320 1193877225 /nfs/dbraw/zinc/87/72/25/1193877225.db2.gz PYDYLBJRZQDHDB-QZTJIDSGSA-N 1 3 382.549 0.794 20 0 GCADHO Cn1ccnc1[C@@H]1CNCCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000261640646 1193922177 /nfs/dbraw/zinc/92/21/77/1193922177.db2.gz CDHPUXXRIQKAOD-IBGZPJMESA-N 1 3 382.512 0.954 20 0 GCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000262950599 1193958935 /nfs/dbraw/zinc/95/89/35/1193958935.db2.gz BVAYMAYSXPFOQZ-IBGZPJMESA-N 1 3 376.501 0.359 20 0 GCADHO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCN3CC=CCC3)c2)CC1 ZINC000280450442 1193996105 /nfs/dbraw/zinc/99/61/05/1193996105.db2.gz NCKYYXDSUIZKMR-UHFFFAOYSA-N 1 3 385.512 0.751 20 0 GCADHO [NH3+]C[C@@H](NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000419419130 1194022251 /nfs/dbraw/zinc/02/22/51/1194022251.db2.gz LVRXITDGRPLVQI-LJQANCHMSA-N 1 3 387.528 0.164 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419419317 1194022931 /nfs/dbraw/zinc/02/29/31/1194022931.db2.gz JEDDCUAGGPIJJD-YJBOKZPZSA-N 1 3 388.512 0.780 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419419317 1194022936 /nfs/dbraw/zinc/02/29/36/1194022936.db2.gz JEDDCUAGGPIJJD-YJBOKZPZSA-N 1 3 388.512 0.780 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000419421299 1194024184 /nfs/dbraw/zinc/02/41/84/1194024184.db2.gz OQIGSLAQRDQLJM-BHIYHBOVSA-N 1 3 387.528 0.287 20 0 GCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419424339 1194025804 /nfs/dbraw/zinc/02/58/04/1194025804.db2.gz TVWDEGMZTKHXMV-KRWDZBQOSA-N 1 3 375.517 0.022 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419427177 1194027473 /nfs/dbraw/zinc/02/74/73/1194027473.db2.gz YTUZSNOGOCLUBF-OALUTQOASA-N 1 3 387.528 0.335 20 0 GCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000419414857 1194030775 /nfs/dbraw/zinc/03/07/75/1194030775.db2.gz HHFMNHHOLIIRJH-OALUTQOASA-N 1 3 387.528 0.302 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000419413431 1194030901 /nfs/dbraw/zinc/03/09/01/1194030901.db2.gz FOXXMHYUSYKXOR-UHFFFAOYSA-N 1 3 387.528 0.132 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419665489 1194078172 /nfs/dbraw/zinc/07/81/72/1194078172.db2.gz ORTWUAAXLHOOJX-PBHICJAKSA-N 1 3 389.500 0.643 20 0 GCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CCCO1 ZINC000419681227 1194081552 /nfs/dbraw/zinc/08/15/52/1194081552.db2.gz RNFVZBRXNLMFIQ-QGZVFWFLSA-N 1 3 380.533 0.725 20 0 GCADHO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000419759972 1194099041 /nfs/dbraw/zinc/09/90/41/1194099041.db2.gz YVESTYCLTCDRKN-UKRRQHHQSA-N 1 3 384.521 0.221 20 0 GCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419769215 1194102045 /nfs/dbraw/zinc/10/20/45/1194102045.db2.gz DKRUXIHZMBPPGG-HZPDHXFCSA-N 1 3 395.548 0.069 20 0 GCADHO NC1(CNC(=O)C(=O)NCCc2ccccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000419779566 1194104469 /nfs/dbraw/zinc/10/44/69/1194104469.db2.gz JDCAGRQMPJISTE-UHFFFAOYSA-N 1 3 395.507 0.850 20 0 GCADHO CCOCCCNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419793109 1194104658 /nfs/dbraw/zinc/10/46/58/1194104658.db2.gz ITGNAOPZRBYRQM-UHFFFAOYSA-N 1 3 376.501 0.639 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1)Cc1ccccc1 ZINC000419874429 1194129518 /nfs/dbraw/zinc/12/95/18/1194129518.db2.gz WAJCQORWYZASID-LJQANCHMSA-N 1 3 387.528 0.116 20 0 GCADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000419905694 1194136649 /nfs/dbraw/zinc/13/66/49/1194136649.db2.gz WIFWBZLNTNTMAA-RBUKOAKNSA-N 1 3 388.512 0.811 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419906661 1194141122 /nfs/dbraw/zinc/14/11/22/1194141122.db2.gz AOLVMWRAUWWLEI-ZIFCJYIRSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419977001 1194151474 /nfs/dbraw/zinc/15/14/74/1194151474.db2.gz MGFVQLQPYBSUJM-KZNAEPCWSA-N 1 3 394.560 0.840 20 0 GCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419980584 1194152012 /nfs/dbraw/zinc/15/20/12/1194152012.db2.gz RAARNEXFXJOKRX-NUJGCVRESA-N 1 3 382.549 0.824 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420040051 1194166183 /nfs/dbraw/zinc/16/61/83/1194166183.db2.gz KDAZXENCURKKOX-SFHVURJKSA-N 1 3 382.549 0.984 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000420111443 1194181510 /nfs/dbraw/zinc/18/15/10/1194181510.db2.gz WUAURXQPYVYLRP-CBGDNZLLSA-N 1 3 394.560 0.840 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000420133582 1194190427 /nfs/dbraw/zinc/19/04/27/1194190427.db2.gz TYPPGHIIWWSJKX-NVXWUHKLSA-N 1 3 376.501 0.842 20 0 GCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000420157141 1194190625 /nfs/dbraw/zinc/19/06/25/1194190625.db2.gz OJSQPVZVBZEGOG-GOSISDBHSA-N 1 3 389.544 0.377 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000420178478 1194195511 /nfs/dbraw/zinc/19/55/11/1194195511.db2.gz ANPRBZYSLNGTAO-SFHVURJKSA-N 1 3 392.500 0.080 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420181997 1194197236 /nfs/dbraw/zinc/19/72/36/1194197236.db2.gz DWCLOLVFSUTUTG-KRWDZBQOSA-N 1 3 380.464 0.211 20 0 GCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420168954 1194200358 /nfs/dbraw/zinc/20/03/58/1194200358.db2.gz KWIOMCHCOSCDMI-IKGGRYGDSA-N 1 3 382.549 0.839 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000420205692 1194204725 /nfs/dbraw/zinc/20/47/25/1194204725.db2.gz NXOXRJADEXNUTC-QGZVFWFLSA-N 1 3 388.512 0.734 20 0 GCADHO CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1)CC(C)C ZINC000420205795 1194205558 /nfs/dbraw/zinc/20/55/58/1194205558.db2.gz SHCBFABJNNHXNV-SFHVURJKSA-N 1 3 382.549 0.698 20 0 GCADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1)CC(C)C ZINC000420205795 1194205559 /nfs/dbraw/zinc/20/55/59/1194205559.db2.gz SHCBFABJNNHXNV-SFHVURJKSA-N 1 3 382.549 0.698 20 0 GCADHO COCC[N@H+](C)CCCC1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000501807515 1194230538 /nfs/dbraw/zinc/23/05/38/1194230538.db2.gz XWKUPEDIJHYVRI-SFHVURJKSA-N 1 3 382.549 0.781 20 0 GCADHO COCC[N@@H+](C)CCCC1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000501807515 1194230543 /nfs/dbraw/zinc/23/05/43/1194230543.db2.gz XWKUPEDIJHYVRI-SFHVURJKSA-N 1 3 382.549 0.781 20 0 GCADHO CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N(C)CCN3CCCC3)CC2)CC1 ZINC000422097397 1194383737 /nfs/dbraw/zinc/38/37/37/1194383737.db2.gz AZZWSMQEUNTWJA-UHFFFAOYSA-N 1 3 393.576 0.559 20 0 GCADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2)CC1 ZINC000422113964 1194393032 /nfs/dbraw/zinc/39/30/32/1194393032.db2.gz IHRMZBKUUMVEDE-IBGZPJMESA-N 1 3 393.576 0.556 20 0 GCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000422268691 1194596624 /nfs/dbraw/zinc/59/66/24/1194596624.db2.gz KHOVBTOQZRQZDW-KRWDZBQOSA-N 1 3 376.501 0.796 20 0 GCADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC[NH2+]CC1 ZINC000422993371 1194713606 /nfs/dbraw/zinc/71/36/06/1194713606.db2.gz SPZBZSLIYLRWKR-HUUCEWRRSA-N 1 3 377.489 0.745 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423103640 1194729765 /nfs/dbraw/zinc/72/97/65/1194729765.db2.gz XRUONONMIHQQBU-WBVHZDCISA-N 1 3 376.476 0.784 20 0 GCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000423210539 1194736908 /nfs/dbraw/zinc/73/69/08/1194736908.db2.gz WZWAPLOKIVMHGV-OAHLLOKOSA-N 1 3 382.455 0.923 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423199099 1194738589 /nfs/dbraw/zinc/73/85/89/1194738589.db2.gz ARJKIGCYLASYHM-HXUWFJFHSA-N 1 3 376.476 0.928 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423200296 1194738635 /nfs/dbraw/zinc/73/86/35/1194738635.db2.gz FJHPNSOBQABMIM-SJORKVTESA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423197708 1194738638 /nfs/dbraw/zinc/73/86/38/1194738638.db2.gz ASDMYDGXPOLYMZ-LJQANCHMSA-N 1 3 390.528 0.586 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423201919 1194738881 /nfs/dbraw/zinc/73/88/81/1194738881.db2.gz JPXZRQLXAODYFF-GDBMZVCRSA-N 1 3 394.466 0.923 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423199941 1194738919 /nfs/dbraw/zinc/73/89/19/1194738919.db2.gz CYTKSHHGEILYGS-AEFFLSMTSA-N 1 3 376.476 0.926 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423203031 1194739345 /nfs/dbraw/zinc/73/93/45/1194739345.db2.gz BTAZLBYDLGVIAZ-QZTJIDSGSA-N 1 3 380.533 0.404 20 0 GCADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000423202747 1194739375 /nfs/dbraw/zinc/73/93/75/1194739375.db2.gz LEMBAGSHBJVZDI-CALCHBBNSA-N 1 3 394.560 0.792 20 0 GCADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000423202748 1194739467 /nfs/dbraw/zinc/73/94/67/1194739467.db2.gz LEMBAGSHBJVZDI-IAGOWNOFSA-N 1 3 394.560 0.792 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423266855 1194745311 /nfs/dbraw/zinc/74/53/11/1194745311.db2.gz SKRSHXWFWVPNIC-DLBZAZTESA-N 1 3 380.464 0.115 20 0 GCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423361038 1194751333 /nfs/dbraw/zinc/75/13/33/1194751333.db2.gz GMIAZLLCTSVYES-MRXNPFEDSA-N 1 3 393.557 0.144 20 0 GCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423368371 1194751814 /nfs/dbraw/zinc/75/18/14/1194751814.db2.gz NDXNLWHEIZNMKL-INIZCTEOSA-N 1 3 393.557 0.144 20 0 GCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(OC)c2)C1 ZINC000423468522 1194758732 /nfs/dbraw/zinc/75/87/32/1194758732.db2.gz BIMJDGGGILVJFS-QGZVFWFLSA-N 1 3 376.501 0.796 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000423475189 1194759012 /nfs/dbraw/zinc/75/90/12/1194759012.db2.gz IOGNQFSISHYYEE-CRAIPNDOSA-N 1 3 376.501 0.781 20 0 GCADHO C[N@H+](CCN1CCN(C(=O)C(=O)N2CCCNCC2)CC1)Cc1ccccc1 ZINC000423611736 1194773592 /nfs/dbraw/zinc/77/35/92/1194773592.db2.gz OJEOKOMFLIVZEJ-UHFFFAOYSA-N 1 3 387.528 0.085 20 0 GCADHO C[N@@H+](CCN1CCN(C(=O)C(=O)N2CCCNCC2)CC1)Cc1ccccc1 ZINC000423611736 1194773594 /nfs/dbraw/zinc/77/35/94/1194773594.db2.gz OJEOKOMFLIVZEJ-UHFFFAOYSA-N 1 3 387.528 0.085 20 0 GCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423658199 1194780519 /nfs/dbraw/zinc/78/05/19/1194780519.db2.gz XIXBIAHZRLMSCB-LHHMISFZSA-N 1 3 380.533 0.530 20 0 GCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423658196 1194780718 /nfs/dbraw/zinc/78/07/18/1194780718.db2.gz XIXBIAHZRLMSCB-CBZIJGRNSA-N 1 3 380.533 0.530 20 0 GCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c2)CC1 ZINC000504566626 1194798765 /nfs/dbraw/zinc/79/87/65/1194798765.db2.gz UZCKCRFHFLAWDZ-SFHVURJKSA-N 1 3 391.516 0.194 20 0 GCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000424444164 1194812073 /nfs/dbraw/zinc/81/20/73/1194812073.db2.gz CMOYVBBSGGETPV-UHFFFAOYSA-N 1 3 387.484 0.159 20 0 GCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCCO1 ZINC000424494847 1194817358 /nfs/dbraw/zinc/81/73/58/1194817358.db2.gz OLNNWYKTMHPOBG-IPMKNSEASA-N 1 3 386.496 0.296 20 0 GCADHO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424543889 1194822651 /nfs/dbraw/zinc/82/26/51/1194822651.db2.gz KHBMVCVWCGFYDO-IPMKNSEASA-N 1 3 386.496 0.214 20 0 GCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000414800693 1194825580 /nfs/dbraw/zinc/82/55/80/1194825580.db2.gz IEBYTBRDALSTBE-UHFFFAOYSA-N 1 3 387.484 0.111 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000414803440 1194826696 /nfs/dbraw/zinc/82/66/96/1194826696.db2.gz CRIRNKKXOCWDGF-UHFFFAOYSA-N 1 3 389.500 0.357 20 0 GCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000638108948 1194937054 /nfs/dbraw/zinc/93/70/54/1194937054.db2.gz PGALRZLPHONCCE-RXVVDRJESA-N 1 3 388.512 0.895 20 0 GCADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](c2nnc[nH]2)C1 ZINC000425659652 1195053102 /nfs/dbraw/zinc/05/31/02/1195053102.db2.gz IPOLMYBFVDFQBV-MRXNPFEDSA-N 1 3 384.488 0.911 20 0 GCADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425659652 1195053107 /nfs/dbraw/zinc/05/31/07/1195053107.db2.gz IPOLMYBFVDFQBV-MRXNPFEDSA-N 1 3 384.488 0.911 20 0 GCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000516635798 1195077655 /nfs/dbraw/zinc/07/76/55/1195077655.db2.gz MUTLKXWOFPJRQJ-IRXDYDNUSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000516635796 1195077782 /nfs/dbraw/zinc/07/77/82/1195077782.db2.gz MUTLKXWOFPJRQJ-CALCHBBNSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000516635797 1195077915 /nfs/dbraw/zinc/07/79/15/1195077915.db2.gz MUTLKXWOFPJRQJ-IAGOWNOFSA-N 1 3 394.560 0.840 20 0 GCADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000516750705 1195090268 /nfs/dbraw/zinc/09/02/68/1195090268.db2.gz FZRWOQFZCOAYFZ-RBUKOAKNSA-N 1 3 389.544 0.361 20 0 GCADHO CCCNC(=O)CN(C)C(=O)CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506048124 1195109660 /nfs/dbraw/zinc/10/96/60/1195109660.db2.gz VDALDRGQIITIKP-UHFFFAOYSA-N 1 3 382.549 0.795 20 0 GCADHO CC1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000517198476 1195150501 /nfs/dbraw/zinc/15/05/01/1195150501.db2.gz FCTYYBQADXSSLT-ROUUACIJSA-N 1 3 380.533 0.329 20 0 GCADHO CC1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000517198477 1195150695 /nfs/dbraw/zinc/15/06/95/1195150695.db2.gz FCTYYBQADXSSLT-ZWKOTPCHSA-N 1 3 380.533 0.329 20 0 GCADHO COC[C@@]1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCCCN1 ZINC000638441245 1195153747 /nfs/dbraw/zinc/15/37/47/1195153747.db2.gz TXCJQAZKZNRNEX-OXQOHEQNSA-N 1 3 390.532 0.684 20 0 GCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000517254053 1195164979 /nfs/dbraw/zinc/16/49/79/1195164979.db2.gz WFCRMYHGVARIJC-MRXNPFEDSA-N 1 3 382.549 0.935 20 0 GCADHO COC(=O)C1CCN(CCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000517375465 1195176807 /nfs/dbraw/zinc/17/68/07/1195176807.db2.gz PSCNYHALVRJMMF-UHFFFAOYSA-N 1 3 377.489 0.353 20 0 GCADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000517720991 1195209848 /nfs/dbraw/zinc/20/98/48/1195209848.db2.gz DCKOXVZRJSJQMV-IBGZPJMESA-N 1 3 390.528 0.898 20 0 GCADHO COC(=O)c1ccc(OC[C@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000519142909 1195372686 /nfs/dbraw/zinc/37/26/86/1195372686.db2.gz CQMZUFKYOBSOLX-QGZVFWFLSA-N 1 3 379.501 0.829 20 0 GCADHO COc1cccc([C@@H](CNC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)N(C)C)c1 ZINC000550029558 1195408277 /nfs/dbraw/zinc/40/82/77/1195408277.db2.gz RFWMZZRDYVQELJ-CRAIPNDOSA-N 1 3 376.501 0.967 20 0 GCADHO COc1cccc([C@@H](CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)N(C)C)c1 ZINC000550029558 1195408279 /nfs/dbraw/zinc/40/82/79/1195408279.db2.gz RFWMZZRDYVQELJ-CRAIPNDOSA-N 1 3 376.501 0.967 20 0 GCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000120876632 1195445031 /nfs/dbraw/zinc/44/50/31/1195445031.db2.gz QLAIGGZQIFHEGJ-MSOLQXFVSA-N 1 3 379.549 0.912 20 0 GCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000120876632 1195445032 /nfs/dbraw/zinc/44/50/32/1195445032.db2.gz QLAIGGZQIFHEGJ-MSOLQXFVSA-N 1 3 379.549 0.912 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000426918126 1195492171 /nfs/dbraw/zinc/49/21/71/1195492171.db2.gz ITQOAOAJXPMDGO-UHFFFAOYSA-N 1 3 376.505 1.031 20 0 GCADHO CN1CCN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000519633203 1195559921 /nfs/dbraw/zinc/55/99/21/1195559921.db2.gz VQEISMHXCLESOE-WOJBJXKFSA-N 1 3 388.560 0.650 20 0 GCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000519704555 1195564096 /nfs/dbraw/zinc/56/40/96/1195564096.db2.gz DXMRXOHGCRNAKT-IAGOWNOFSA-N 1 3 380.533 0.452 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000441018363 1195597320 /nfs/dbraw/zinc/59/73/20/1195597320.db2.gz FZAKEISVLCQANW-QGZVFWFLSA-N 1 3 396.580 0.254 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441018363 1195597322 /nfs/dbraw/zinc/59/73/22/1195597322.db2.gz FZAKEISVLCQANW-QGZVFWFLSA-N 1 3 396.580 0.254 20 0 GCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000550372208 1195646240 /nfs/dbraw/zinc/64/62/40/1195646240.db2.gz OUGJOHZLEAHWLR-KRWDZBQOSA-N 1 3 381.565 0.365 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC[C@H](C(=O)N(C)C)O3)CC2)CC1 ZINC000521066739 1195959280 /nfs/dbraw/zinc/95/92/80/1195959280.db2.gz OHYMYTHTGHHJBC-RBUKOAKNSA-N 1 3 394.560 0.935 20 0 GCADHO CCN1CC[NH+](CCCCNC(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000518837448 1195991266 /nfs/dbraw/zinc/99/12/66/1195991266.db2.gz USXLNJLVMNWWAF-UHFFFAOYSA-N 1 3 396.580 0.256 20 0 GCADHO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443061649 1196017541 /nfs/dbraw/zinc/01/75/41/1196017541.db2.gz RWZLDYLCRYJABO-ZNMIVQPWSA-N 1 3 382.530 0.961 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(CCCN4C(=O)CNC4=O)C[C@H]32)CC[N@@H+]1C ZINC001075813684 1196048826 /nfs/dbraw/zinc/04/88/26/1196048826.db2.gz UIRRQGJQASPBCU-MWDXBVQZSA-N 1 3 391.516 0.191 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(CCCN4C(=O)CNC4=O)C[C@H]32)CC[N@H+]1C ZINC001075813684 1196048830 /nfs/dbraw/zinc/04/88/30/1196048830.db2.gz UIRRQGJQASPBCU-MWDXBVQZSA-N 1 3 391.516 0.191 20 0 GCADHO O=C1[C@H]([NH2+]CCCCN2CCN(CCO)CC2)CCN1c1ccccc1F ZINC000114501913 1196101227 /nfs/dbraw/zinc/10/12/27/1196101227.db2.gz FVXRIGDDIPLMBX-GOSISDBHSA-N 1 3 378.492 0.911 20 0 GCADHO CCO[C@H]1C[C@@](N)(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000444272348 1196370165 /nfs/dbraw/zinc/37/01/65/1196370165.db2.gz VXHOMAUTMGYCJJ-KBXCAEBGSA-N 1 3 380.493 0.032 20 0 GCADHO CN(C)C1(C(=O)NCCN(CC[NH+]2CCCCC2)C(=O)C2(N(C)C)CC2)CC1 ZINC000614734188 1196401578 /nfs/dbraw/zinc/40/15/78/1196401578.db2.gz GAGQFTDCHFUVIZ-UHFFFAOYSA-N 1 3 393.576 0.606 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367146995 1196494481 /nfs/dbraw/zinc/49/44/81/1196494481.db2.gz DPYQJCCPUBFOIM-OAQYLSRUSA-N 1 3 385.556 0.700 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367146995 1196494485 /nfs/dbraw/zinc/49/44/85/1196494485.db2.gz DPYQJCCPUBFOIM-OAQYLSRUSA-N 1 3 385.556 0.700 20 0 GCADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000446371165 1196638547 /nfs/dbraw/zinc/63/85/47/1196638547.db2.gz OJUHBNURKLEPBU-ZSZQSSIHSA-N 1 3 392.504 0.032 20 0 GCADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000446371164 1196638621 /nfs/dbraw/zinc/63/86/21/1196638621.db2.gz OJUHBNURKLEPBU-URLQWDBASA-N 1 3 392.504 0.032 20 0 GCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446368043 1196638630 /nfs/dbraw/zinc/63/86/30/1196638630.db2.gz BWWUUIDKTBWFNT-WRWLIDTKSA-N 1 3 380.533 0.578 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000526131660 1196744043 /nfs/dbraw/zinc/74/40/43/1196744043.db2.gz QADQDIMMHWBKSK-SFHVURJKSA-N 1 3 392.500 0.745 20 0 GCADHO COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000526131745 1196744160 /nfs/dbraw/zinc/74/41/60/1196744160.db2.gz CBJHDQWFNRJYOW-UHFFFAOYSA-N 1 3 393.488 0.544 20 0 GCADHO CC(=O)Nc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1C ZINC000526132235 1196744274 /nfs/dbraw/zinc/74/42/74/1196744274.db2.gz UUBHGMGTZVHVKR-UHFFFAOYSA-N 1 3 377.489 0.844 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000527373744 1196783995 /nfs/dbraw/zinc/78/39/95/1196783995.db2.gz DJIAMJJMXRRTKA-MRXNPFEDSA-N 1 3 392.500 0.745 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000527374250 1196784360 /nfs/dbraw/zinc/78/43/60/1196784360.db2.gz RKDCNQXXPXHXNT-UHFFFAOYSA-N 1 3 390.463 0.902 20 0 GCADHO COC(=O)c1c(C)cccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527374230 1196784382 /nfs/dbraw/zinc/78/43/82/1196784382.db2.gz KMHSZPLPTOELTL-UHFFFAOYSA-N 1 3 378.473 0.672 20 0 GCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCCN2CCN(CCO)CC2)[C@H](C)C1 ZINC000448519524 1196809149 /nfs/dbraw/zinc/80/91/49/1196809149.db2.gz DWNRGEBOOWIOKX-RTBURBONSA-N 1 3 383.581 0.748 20 0 GCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCCN2CCN(CCO)CC2)[C@H](C)C1 ZINC000448519524 1196809155 /nfs/dbraw/zinc/80/91/55/1196809155.db2.gz DWNRGEBOOWIOKX-RTBURBONSA-N 1 3 383.581 0.748 20 0 GCADHO CN1CCN(CCNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1(C)C ZINC000529331498 1196916370 /nfs/dbraw/zinc/91/63/70/1196916370.db2.gz SCRONMURVPZSJC-GOSISDBHSA-N 1 3 381.565 0.813 20 0 GCADHO C[NH+](C)[C@]1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCSC1 ZINC000530655734 1197005168 /nfs/dbraw/zinc/00/51/68/1197005168.db2.gz GUNSJDZADOJVSB-SFHVURJKSA-N 1 3 383.562 0.373 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(N(C)C)ncn1 ZINC000453711817 1197125197 /nfs/dbraw/zinc/12/51/97/1197125197.db2.gz RGVSWMNPCKUIOO-HNNXBMFYSA-N 1 3 391.520 0.356 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(N(C)C)ncn1 ZINC000453711817 1197125199 /nfs/dbraw/zinc/12/51/99/1197125199.db2.gz RGVSWMNPCKUIOO-HNNXBMFYSA-N 1 3 391.520 0.356 20 0 GCADHO CN(C)[C@@H](CNC(=O)CSc1nnnn1CC[NH+](C)C)c1ccccc1 ZINC000532273710 1197133148 /nfs/dbraw/zinc/13/31/48/1197133148.db2.gz NQDYCKFOTROHBM-HNNXBMFYSA-N 1 3 377.518 0.746 20 0 GCADHO CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC4CC[NH+](C)CC4)nc3)C[C@@H]21 ZINC000453922993 1197180961 /nfs/dbraw/zinc/18/09/61/1197180961.db2.gz WGHFWDKSGBRRFH-PBHICJAKSA-N 1 3 387.484 0.656 20 0 GCADHO C[NH+](C)CCN1C[C@H](C(=O)NCC2(N3CCSCC3)CCCC2)CC1=O ZINC000174623083 1197182016 /nfs/dbraw/zinc/18/20/16/1197182016.db2.gz CBPHXHUYNGORCJ-MRXNPFEDSA-N 1 3 382.574 0.874 20 0 GCADHO CN1CCC([NH+]2CCC(NC(=O)N3CCN(C[C@H]4CCOC4)CC3)CC2)CC1 ZINC000176048461 1197186416 /nfs/dbraw/zinc/18/64/16/1197186416.db2.gz IOROEGINPQSTCT-GOSISDBHSA-N 1 3 393.576 0.909 20 0 GCADHO CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000112212915 1197333911 /nfs/dbraw/zinc/33/39/11/1197333911.db2.gz VDKZETCYTNDRMZ-SFHVURJKSA-N 1 3 381.565 0.766 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000132708164 1197380966 /nfs/dbraw/zinc/38/09/66/1197380966.db2.gz VQJQJKVVUPOSRC-OAHLLOKOSA-N 1 3 377.493 0.215 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)CC1 ZINC000050803115 1197381230 /nfs/dbraw/zinc/38/12/30/1197381230.db2.gz FMTGKRLNOJZVAE-QZTJIDSGSA-N 1 3 390.528 0.836 20 0 GCADHO C[C@H](O)CN1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@H](C)C1 ZINC000249208630 1197481323 /nfs/dbraw/zinc/48/13/23/1197481323.db2.gz CGVLVDILXDMDGF-MOPGFXCFSA-N 1 3 396.576 0.525 20 0 GCADHO C[C@H](O)C[N@@H+]1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@H](C)C1 ZINC000249208630 1197481325 /nfs/dbraw/zinc/48/13/25/1197481325.db2.gz CGVLVDILXDMDGF-MOPGFXCFSA-N 1 3 396.576 0.525 20 0 GCADHO C[C@H](O)C[N@H+]1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@H](C)C1 ZINC000249208630 1197481328 /nfs/dbraw/zinc/48/13/28/1197481328.db2.gz CGVLVDILXDMDGF-MOPGFXCFSA-N 1 3 396.576 0.525 20 0 GCADHO O=C(NC[C@@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261794584 1197515202 /nfs/dbraw/zinc/51/52/02/1197515202.db2.gz IKCAJBBYOKWLCC-JKSUJKDBSA-N 1 3 391.516 0.431 20 0 GCADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000262012761 1197522130 /nfs/dbraw/zinc/52/21/30/1197522130.db2.gz UXIWUVDEKPSLNH-HNNXBMFYSA-N 1 3 396.557 0.703 20 0 GCADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672007882 1198999593 /nfs/dbraw/zinc/99/95/93/1198999593.db2.gz FUVABHOKYJXJOP-HNNXBMFYSA-N 1 3 389.500 0.585 20 0 GCADHO CCC(C)(C)N1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000656294992 1199161497 /nfs/dbraw/zinc/16/14/97/1199161497.db2.gz ZHNHXAVUXPEBJD-UHFFFAOYSA-N 1 3 381.565 0.461 20 0 GCADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672304467 1199196799 /nfs/dbraw/zinc/19/67/99/1199196799.db2.gz VFJDZXSTRAAJPC-KRWDZBQOSA-N 1 3 378.517 0.348 20 0 GCADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000672304020 1199198465 /nfs/dbraw/zinc/19/84/65/1199198465.db2.gz FFHPXFAGRZURBL-AEFFLSMTSA-N 1 3 378.517 0.204 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)[C@H](C)C1 ZINC000672311216 1199201748 /nfs/dbraw/zinc/20/17/48/1199201748.db2.gz BALXTPFAOIKMOU-NEWSRXKRSA-N 1 3 394.560 0.840 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)[C@H](C)C1 ZINC000672311216 1199201754 /nfs/dbraw/zinc/20/17/54/1199201754.db2.gz BALXTPFAOIKMOU-NEWSRXKRSA-N 1 3 394.560 0.840 20 0 GCADHO CN(C)CCN(Cc1ccccn1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465946886 1199211824 /nfs/dbraw/zinc/21/18/24/1199211824.db2.gz GTEWXSOIYRMKTQ-QGZVFWFLSA-N 1 3 390.532 0.742 20 0 GCADHO CN(C)CCN(Cc1ccccn1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465946886 1199211830 /nfs/dbraw/zinc/21/18/30/1199211830.db2.gz GTEWXSOIYRMKTQ-QGZVFWFLSA-N 1 3 390.532 0.742 20 0 GCADHO CCN1CCN(C[C@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952936 1199218802 /nfs/dbraw/zinc/21/88/02/1199218802.db2.gz SGFWBGSUMHFOJT-QZTJIDSGSA-N 1 3 396.580 0.147 20 0 GCADHO CCN1CCN(C[C@H](C)CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952936 1199218803 /nfs/dbraw/zinc/21/88/03/1199218803.db2.gz SGFWBGSUMHFOJT-QZTJIDSGSA-N 1 3 396.580 0.147 20 0 GCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000672693401 1199317866 /nfs/dbraw/zinc/31/78/66/1199317866.db2.gz VYMXQSZBZNFULY-BHIYHBOVSA-N 1 3 394.560 0.861 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1(C)C ZINC000672854505 1199352397 /nfs/dbraw/zinc/35/23/97/1199352397.db2.gz HLPQLINSUCVOCT-DLBZAZTESA-N 1 3 379.549 0.071 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1(C)C ZINC000672854505 1199352408 /nfs/dbraw/zinc/35/24/08/1199352408.db2.gz HLPQLINSUCVOCT-DLBZAZTESA-N 1 3 379.549 0.071 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446304 1199659461 /nfs/dbraw/zinc/65/94/61/1199659461.db2.gz VGEPWBRCMKARBG-IRXDYDNUSA-N 1 3 382.549 0.792 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446304 1199659466 /nfs/dbraw/zinc/65/94/66/1199659466.db2.gz VGEPWBRCMKARBG-IRXDYDNUSA-N 1 3 382.549 0.792 20 0 GCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583541 1199829713 /nfs/dbraw/zinc/82/97/13/1199829713.db2.gz AJAJAUINNYGVAF-NXHRZFHOSA-N 1 3 380.533 0.471 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673584249 1199830297 /nfs/dbraw/zinc/83/02/97/1199830297.db2.gz ICTMWJSFCLFHME-MSOLQXFVSA-N 1 3 380.533 0.423 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCC(OC)CC2)CC1=O ZINC000674309667 1200218602 /nfs/dbraw/zinc/21/86/02/1200218602.db2.gz HISJFFVSHCUVGI-DLBZAZTESA-N 1 3 380.533 0.546 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCC(OC)CC2)CC1=O ZINC000674309667 1200218607 /nfs/dbraw/zinc/21/86/07/1200218607.db2.gz HISJFFVSHCUVGI-DLBZAZTESA-N 1 3 380.533 0.546 20 0 GCADHO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000675709786 1200454861 /nfs/dbraw/zinc/45/48/61/1200454861.db2.gz DFAKZSROJQFFOD-ZWKOTPCHSA-N 1 3 381.565 0.955 20 0 GCADHO CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCSC1 ZINC000427566906 1200649556 /nfs/dbraw/zinc/64/95/56/1200649556.db2.gz ZCJFJKCNJKASTH-GOSISDBHSA-N 1 3 394.545 0.642 20 0 GCADHO CC1CCN(CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000375750093 1200807738 /nfs/dbraw/zinc/80/77/38/1200807738.db2.gz SBKUCRBEHDCDBX-UHFFFAOYSA-N 1 3 376.505 0.936 20 0 GCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365890734 1201052395 /nfs/dbraw/zinc/05/23/95/1201052395.db2.gz WCIUXPIQQLGRMY-INIZCTEOSA-N 1 3 377.537 1.297 20 0 GCADHO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC(CCN3CCOCC3)CC1)C2=O ZINC000738111517 1201734163 /nfs/dbraw/zinc/73/41/63/1201734163.db2.gz MXOWMOCLWRNBHM-UHFFFAOYSA-N 1 3 393.532 0.394 20 0 GCADHO C[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)CN1CCN(C)CC1 ZINC000745824673 1201891403 /nfs/dbraw/zinc/89/14/03/1201891403.db2.gz KWZHNQBBKOZOAK-HKUYNNGSSA-N 1 3 381.565 0.813 20 0 GCADHO COCCN(C)CCOc1cccc(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000923603649 1201897620 /nfs/dbraw/zinc/89/76/20/1201897620.db2.gz OPCXILNYKQTYSN-GOSISDBHSA-N 1 3 385.530 0.815 20 0 GCADHO Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@H]2C[C@H]3CC[C@@H](C2)N3C)S(C)(=O)=O)cn1 ZINC001169130422 1201932644 /nfs/dbraw/zinc/93/26/44/1201932644.db2.gz NXHPEBOVILDPGI-OBVSXPTNSA-N 1 3 381.546 0.580 20 0 GCADHO C[C@H]1CN(CCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000767612679 1201979368 /nfs/dbraw/zinc/97/93/68/1201979368.db2.gz QUIPDUUIBDOUPD-QFBILLFUSA-N 1 3 380.558 0.834 20 0 GCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799369 1202124218 /nfs/dbraw/zinc/12/42/18/1202124218.db2.gz WERPRFAZARTSNV-QYZOEREBSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787667475 1205398287 /nfs/dbraw/zinc/39/82/87/1205398287.db2.gz DAQMWZUEPCHCAH-FUHWJXTLSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787667473 1205398435 /nfs/dbraw/zinc/39/84/35/1205398435.db2.gz DAQMWZUEPCHCAH-AEFFLSMTSA-N 1 3 380.533 0.594 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790471444 1205465313 /nfs/dbraw/zinc/46/53/13/1205465313.db2.gz KRAUGKZOJRKAQG-HNNXBMFYSA-N 1 3 399.536 0.064 20 0 GCADHO Cn1nc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2N)ccc1=O ZINC001170391630 1205491333 /nfs/dbraw/zinc/49/13/33/1205491333.db2.gz CYNISAWBMLSMPY-LGEZUQEUSA-N 1 3 397.520 0.054 20 0 GCADHO Cn1nc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2N)ccc1=O ZINC001170391631 1205491364 /nfs/dbraw/zinc/49/13/64/1205491364.db2.gz CYNISAWBMLSMPY-LYHUEXMXSA-N 1 3 397.520 0.054 20 0 GCADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000793872023 1205508576 /nfs/dbraw/zinc/50/85/76/1205508576.db2.gz WRDMURGCGTUVHR-OALUTQOASA-N 1 3 388.512 0.734 20 0 GCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000793872023 1205508578 /nfs/dbraw/zinc/50/85/78/1205508578.db2.gz WRDMURGCGTUVHR-OALUTQOASA-N 1 3 388.512 0.734 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000793916165 1205509387 /nfs/dbraw/zinc/50/93/87/1205509387.db2.gz XNZSIJGLIYENGH-XWTMOSNGSA-N 1 3 394.560 0.839 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000793916165 1205509390 /nfs/dbraw/zinc/50/93/90/1205509390.db2.gz XNZSIJGLIYENGH-XWTMOSNGSA-N 1 3 394.560 0.839 20 0 GCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000805636057 1205541702 /nfs/dbraw/zinc/54/17/02/1205541702.db2.gz JOAXQZDJCRMBFK-SQNIBIBYSA-N 1 3 394.560 0.983 20 0 GCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000805636057 1205541704 /nfs/dbraw/zinc/54/17/04/1205541704.db2.gz JOAXQZDJCRMBFK-SQNIBIBYSA-N 1 3 394.560 0.983 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807685615 1205588109 /nfs/dbraw/zinc/58/81/09/1205588109.db2.gz TYNXUKMCXMLGLM-UHFFFAOYSA-N 1 3 382.549 0.936 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COC2(CCCCCC2)O1 ZINC000809674168 1205628489 /nfs/dbraw/zinc/62/84/89/1205628489.db2.gz AWRZDDPGZIWQBE-KRWDZBQOSA-N 1 3 398.548 0.520 20 0 GCADHO CN1[C@@H]2CCC[C@H]1C[C@H](N(Cc1cnc3n1CC[NH2+]CC3)S(C)(=O)=O)C2 ZINC001172115012 1205713069 /nfs/dbraw/zinc/71/30/69/1205713069.db2.gz FXWNVVWKYDDJQO-MUJYYYPQSA-N 1 3 381.546 0.806 20 0 GCADHO COC(=O)[C@H](CN)C[NH2+][C@@H]1C[C@@H](C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1 ZINC001172261921 1205715079 /nfs/dbraw/zinc/71/50/79/1205715079.db2.gz ZHQQCJZNYJATLB-LTIDMASMSA-N 1 3 392.452 0.635 20 0 GCADHO COCCCN1CCC(NS(=O)(=O)c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001172252321 1205715347 /nfs/dbraw/zinc/71/53/47/1205715347.db2.gz KNJBIJRJHUQWIL-UHFFFAOYSA-N 1 3 396.557 0.875 20 0 GCADHO CO[C@H](C)CC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001181601936 1205847383 /nfs/dbraw/zinc/84/73/83/1205847383.db2.gz SARUGUZCFSLKQO-OVARMSRNSA-N 1 3 389.537 0.707 20 0 GCADHO Cc1ccc(N(C(=O)C2(O)CCN(C)CC2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001182032914 1205854033 /nfs/dbraw/zinc/85/40/33/1205854033.db2.gz VZCJJRUCEGLFPW-VQIMIIECSA-N 1 3 389.500 0.486 20 0 GCADHO CC[C@H](CO)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001183174058 1205888260 /nfs/dbraw/zinc/88/82/60/1205888260.db2.gz OKVMJPBSJCTINZ-ZSDNPPSXSA-N 1 3 389.537 0.301 20 0 GCADHO CC(C)[C@H](C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1)N(C)C ZINC001183360365 1205891444 /nfs/dbraw/zinc/89/14/44/1205891444.db2.gz NVGQJFCJGMBJLQ-PKOBYXMFSA-N 1 3 392.548 0.940 20 0 GCADHO COC(=O)/C=C1/SCC(=O)N1CCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000774727468 1205906419 /nfs/dbraw/zinc/90/64/19/1205906419.db2.gz WGABRADUUWEGBG-NBVRZTHBSA-N 1 3 398.573 0.924 20 0 GCADHO COC(=O)/C=C1/SCC(=O)N1CCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000774727468 1205906421 /nfs/dbraw/zinc/90/64/21/1205906421.db2.gz WGABRADUUWEGBG-NBVRZTHBSA-N 1 3 398.573 0.924 20 0 GCADHO Cn1nnc2c1CCN(c1ncc3c(n1)CCNC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713497 720171936 /nfs/dbraw/zinc/17/19/36/720171936.db2.gz LMJKAYISEOCDHG-GOSISDBHSA-N 1 3 398.515 0.467 20 0 GCADHO c1ncc(O[C@@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CCN3C2)cn1 ZINC001164743765 720708657 /nfs/dbraw/zinc/70/86/57/720708657.db2.gz YEVVOGOAQGTIBQ-JKSUJKDBSA-N 1 3 382.472 0.018 20 0 GCADHO CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889743 721391516 /nfs/dbraw/zinc/39/15/16/721391516.db2.gz MAAUJZRDXAFCHD-GHTZIAJQSA-N 1 3 386.544 0.888 20 0 GCADHO Cc1cc(N[C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571271904 945654003 /nfs/dbraw/zinc/65/40/03/945654003.db2.gz MGLSQAYZCCZMHG-YOEHRIQHSA-N 1 3 386.504 0.981 20 0 GCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)C2)C1 ZINC001571282698 945857264 /nfs/dbraw/zinc/85/72/64/945857264.db2.gz NXCNATIMBCQGDZ-HIFRSBDPSA-N 1 3 387.463 0.896 20 0 GCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)C2)C1 ZINC001571282698 945857283 /nfs/dbraw/zinc/85/72/83/945857283.db2.gz NXCNATIMBCQGDZ-HIFRSBDPSA-N 1 3 387.463 0.896 20 0 GCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)C2)C1 ZINC001571282699 945858665 /nfs/dbraw/zinc/85/86/65/945858665.db2.gz NXCNATIMBCQGDZ-UKRRQHHQSA-N 1 3 387.463 0.896 20 0 GCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)C2)C1 ZINC001571282699 945858679 /nfs/dbraw/zinc/85/86/79/945858679.db2.gz NXCNATIMBCQGDZ-UKRRQHHQSA-N 1 3 387.463 0.896 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825450628 947192446 /nfs/dbraw/zinc/19/24/46/947192446.db2.gz BSHLXEWMYLXNAJ-AWEZNQCLSA-N 1 3 390.492 0.580 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825450628 947192450 /nfs/dbraw/zinc/19/24/50/947192450.db2.gz BSHLXEWMYLXNAJ-AWEZNQCLSA-N 1 3 390.492 0.580 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078047 951678223 /nfs/dbraw/zinc/67/82/23/951678223.db2.gz JNEPOKVFUQKJJW-TZMCWYRMSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078047 951678227 /nfs/dbraw/zinc/67/82/27/951678227.db2.gz JNEPOKVFUQKJJW-TZMCWYRMSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081706 951725290 /nfs/dbraw/zinc/72/52/90/951725290.db2.gz RTKFHYBAXPIOQW-GXTWGEPZSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081706 951725298 /nfs/dbraw/zinc/72/52/98/951725298.db2.gz RTKFHYBAXPIOQW-GXTWGEPZSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081706 951725301 /nfs/dbraw/zinc/72/53/01/951725301.db2.gz RTKFHYBAXPIOQW-GXTWGEPZSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081706 951725306 /nfs/dbraw/zinc/72/53/06/951725306.db2.gz RTKFHYBAXPIOQW-GXTWGEPZSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081707 951725943 /nfs/dbraw/zinc/72/59/43/951725943.db2.gz RTKFHYBAXPIOQW-JSGCOSHPSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081707 951725948 /nfs/dbraw/zinc/72/59/48/951725948.db2.gz RTKFHYBAXPIOQW-JSGCOSHPSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081707 951725955 /nfs/dbraw/zinc/72/59/55/951725955.db2.gz RTKFHYBAXPIOQW-JSGCOSHPSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081707 951725960 /nfs/dbraw/zinc/72/59/60/951725960.db2.gz RTKFHYBAXPIOQW-JSGCOSHPSA-N 1 3 375.452 0.799 20 0 GCADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571190092 952939979 /nfs/dbraw/zinc/93/99/79/952939979.db2.gz FEKGJQLNVHVDAK-SJLPKXTDSA-N 1 3 381.484 0.899 20 0 GCADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571190092 952939981 /nfs/dbraw/zinc/93/99/81/952939981.db2.gz FEKGJQLNVHVDAK-SJLPKXTDSA-N 1 3 381.484 0.899 20 0 GCADHO CCN(CC)CCO[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000572606539 530316517 /nfs/dbraw/zinc/31/65/17/530316517.db2.gz WSUHVNIKABBJEJ-HNNXBMFYSA-N 1 3 375.535 0.113 20 0 GCADHO CCN(CC)CCO[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000572606540 530316592 /nfs/dbraw/zinc/31/65/92/530316592.db2.gz WSUHVNIKABBJEJ-OAHLLOKOSA-N 1 3 375.535 0.113 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000563874061 530565558 /nfs/dbraw/zinc/56/55/58/530565558.db2.gz FUFIIUOWKZCCOR-UHFFFAOYSA-N 1 3 385.559 0.823 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1c(I)cnn1C ZINC000555889688 531171838 /nfs/dbraw/zinc/17/18/38/531171838.db2.gz ZLDVZTUZGLXZFQ-UHFFFAOYSA-N 1 3 393.273 0.590 20 0 GCADHO C[C@H](NCCOCCC[NH3+])c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000863548077 641241240 /nfs/dbraw/zinc/24/12/40/641241240.db2.gz URMKMXOTUFECAI-ZDUSSCGKSA-N 1 3 393.531 0.428 20 0 GCADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000652361403 1192203841 /nfs/dbraw/zinc/20/38/41/1192203841.db2.gz GOCMHZUGHQVWIZ-FGTMMUONSA-N 1 3 378.517 0.428 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000652469914 1192229064 /nfs/dbraw/zinc/22/90/64/1192229064.db2.gz IDKCESSMDUUCGT-MOPGFXCFSA-N 1 3 393.576 0.415 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000663445349 1192338599 /nfs/dbraw/zinc/33/85/99/1192338599.db2.gz OBFJPIZXNLCOJY-GOSISDBHSA-N 1 3 377.533 0.821 20 0 GCADHO CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000585688557 1192371821 /nfs/dbraw/zinc/37/18/21/1192371821.db2.gz WNBMUHSTGFXTRY-SFHVURJKSA-N 1 3 379.549 0.214 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000585725334 1192398626 /nfs/dbraw/zinc/39/86/26/1192398626.db2.gz MSTFKHSQVGTDCT-GBESFXJTSA-N 1 3 391.560 0.356 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000585725334 1192398628 /nfs/dbraw/zinc/39/86/28/1192398628.db2.gz MSTFKHSQVGTDCT-GBESFXJTSA-N 1 3 391.560 0.356 20 0 GCADHO CCn1nccc1CNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000663657013 1192454583 /nfs/dbraw/zinc/45/45/83/1192454583.db2.gz ZMWQFYKJJBDPLR-UHFFFAOYSA-N 1 3 398.511 0.629 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CNC(=O)NCc3ccco3)CC2)CC1 ZINC000050797256 1192501946 /nfs/dbraw/zinc/50/19/46/1192501946.db2.gz JYRMDOPOXLXRGO-UHFFFAOYSA-N 1 3 377.489 0.754 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CCCN3C(=O)NC(C)(C)C3=O)CC2)CC1 ZINC000050800726 1192502000 /nfs/dbraw/zinc/50/20/00/1192502000.db2.gz BIFQRIHEMSMOKL-UHFFFAOYSA-N 1 3 393.532 0.772 20 0 GCADHO CN(C)[C@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1O ZINC000663743156 1192521260 /nfs/dbraw/zinc/52/12/60/1192521260.db2.gz NHRMLHKYLHDJOG-PMACEKPBSA-N 1 3 389.544 0.905 20 0 GCADHO C[NH+](C)[C@H]1CN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)C[C@@H]1O ZINC000663743156 1192521262 /nfs/dbraw/zinc/52/12/62/1192521262.db2.gz NHRMLHKYLHDJOG-PMACEKPBSA-N 1 3 389.544 0.905 20 0 GCADHO C[NH+](C)CC1(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCCC1 ZINC000669232470 1192571492 /nfs/dbraw/zinc/57/14/92/1192571492.db2.gz LUUWLMYVRSVXKT-QGZVFWFLSA-N 1 3 380.533 0.594 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623396 1192621810 /nfs/dbraw/zinc/62/18/10/1192621810.db2.gz XCJRKHKYCQGAPV-CABCVRRESA-N 1 3 395.470 0.575 20 0 GCADHO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000418760120 1192640755 /nfs/dbraw/zinc/64/07/55/1192640755.db2.gz GUIBFVWYYPTWOF-QGZVFWFLSA-N 1 3 391.516 0.447 20 0 GCADHO CN(CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1)Cc1ccccc1 ZINC000418794154 1192645665 /nfs/dbraw/zinc/64/56/65/1192645665.db2.gz QYAIIWRUZJUMII-FQEVSTJZSA-N 1 3 389.544 0.824 20 0 GCADHO NC1(CNC(=O)C(=O)NC[C@@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000418904454 1192685056 /nfs/dbraw/zinc/68/50/56/1192685056.db2.gz JFBAVSZUKGUCAZ-KRWDZBQOSA-N 1 3 390.553 0.965 20 0 GCADHO CC1CCN([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000418929353 1192694136 /nfs/dbraw/zinc/69/41/36/1192694136.db2.gz FDCBMUBVHHWMJX-OALUTQOASA-N 1 3 388.512 0.762 20 0 GCADHO NC1(CNC(=O)C(=O)NC[C@H]2CCCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000418931748 1192694375 /nfs/dbraw/zinc/69/43/75/1192694375.db2.gz HKJLNNPOHLVVPE-GOSISDBHSA-N 1 3 388.512 0.781 20 0 GCADHO CC1CCN([C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)c2ccccc2)CC1 ZINC000418944265 1192696718 /nfs/dbraw/zinc/69/67/18/1192696718.db2.gz MDADKXZWUPIFJU-SFHVURJKSA-N 1 3 376.501 0.355 20 0 GCADHO C[C@@]1(CNC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000418958187 1192701673 /nfs/dbraw/zinc/70/16/73/1192701673.db2.gz FRKQXOPPDLVCNV-FQEVSTJZSA-N 1 3 388.512 0.639 20 0 GCADHO CN1CCN(Cc2ccc(CNC(=O)c3cn(C4CC[NH2+]CC4)nn3)cc2)CC1 ZINC000237089511 1192729276 /nfs/dbraw/zinc/72/92/76/1192729276.db2.gz DLEJQGFHYPYVQU-UHFFFAOYSA-N 1 3 397.527 0.880 20 0 GCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)CCO1 ZINC000419041115 1192739233 /nfs/dbraw/zinc/73/92/33/1192739233.db2.gz XVCAPFCEPAPLDP-OAHLLOKOSA-N 1 3 384.546 0.040 20 0 GCADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCCNCC1 ZINC000419055414 1192751766 /nfs/dbraw/zinc/75/17/66/1192751766.db2.gz JNTFPFKNZCPSRG-RTBURBONSA-N 1 3 388.512 0.462 20 0 GCADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCCNCC1 ZINC000419055414 1192751769 /nfs/dbraw/zinc/75/17/69/1192751769.db2.gz JNTFPFKNZCPSRG-RTBURBONSA-N 1 3 388.512 0.462 20 0 GCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419077774 1192776164 /nfs/dbraw/zinc/77/61/64/1192776164.db2.gz JRUABXYVGFMGES-IRXDYDNUSA-N 1 3 391.520 0.281 20 0 GCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419077774 1192776169 /nfs/dbraw/zinc/77/61/69/1192776169.db2.gz JRUABXYVGFMGES-IRXDYDNUSA-N 1 3 391.520 0.281 20 0 GCADHO CN(CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000419098724 1192785604 /nfs/dbraw/zinc/78/56/04/1192785604.db2.gz HGSKJJLCZGVBRI-PBHICJAKSA-N 1 3 380.439 0.737 20 0 GCADHO CSCCCNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419141751 1192813016 /nfs/dbraw/zinc/81/30/16/1192813016.db2.gz FUZNJMOWIDUINN-UHFFFAOYSA-N 1 3 378.542 0.965 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893742960 1192848009 /nfs/dbraw/zinc/84/80/09/1192848009.db2.gz NPJHTLDQKMTBGZ-HCXYKTFWSA-N 1 3 380.533 0.605 20 0 GCADHO CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3CNCCO3)c2)CC1 ZINC000419211586 1192895821 /nfs/dbraw/zinc/89/58/21/1192895821.db2.gz XGNBKYRVMRZKJR-LJQANCHMSA-N 1 3 388.512 0.639 20 0 GCADHO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000419211320 1192896077 /nfs/dbraw/zinc/89/60/77/1192896077.db2.gz XBAYYNUMQDCKOF-QGZVFWFLSA-N 1 3 388.516 0.050 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c2)CC1 ZINC000274556838 1184099258 /nfs/dbraw/zinc/09/92/58/1184099258.db2.gz WDZACEALQNKNFY-FQEVSTJZSA-N 1 3 391.516 0.196 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654730174 1184109705 /nfs/dbraw/zinc/10/97/05/1184109705.db2.gz MNONUMVAQYVSNR-FGTMMUONSA-N 1 3 377.533 0.951 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654730174 1184109712 /nfs/dbraw/zinc/10/97/12/1184109712.db2.gz MNONUMVAQYVSNR-FGTMMUONSA-N 1 3 377.533 0.951 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)NS(C)(=O)=O)CC2)CC1 ZINC000654766436 1184128536 /nfs/dbraw/zinc/12/85/36/1184128536.db2.gz WBSWMUKVYJGRPB-UHFFFAOYSA-N 1 3 388.578 0.627 20 0 GCADHO CC(C)[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)N1CCN(C)CC1 ZINC000109166238 1184331186 /nfs/dbraw/zinc/33/11/86/1184331186.db2.gz UNHYPDYNKLGBRR-RBUKOAKNSA-N 1 3 383.581 0.650 20 0 GCADHO CC(C)OCC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001143378930 1184819803 /nfs/dbraw/zinc/81/98/03/1184819803.db2.gz HDUAHEKTQOYHKJ-FTAMUGHTSA-N 1 3 389.537 0.707 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000579980254 1184877079 /nfs/dbraw/zinc/87/70/79/1184877079.db2.gz QQJZHQXXRXHUFQ-DLBZAZTESA-N 1 3 395.548 0.069 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000579996606 1184895822 /nfs/dbraw/zinc/89/58/22/1184895822.db2.gz FBNFITLDXVRAOV-JFRXWTBNSA-N 1 3 394.560 0.717 20 0 GCADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656027584 1184962672 /nfs/dbraw/zinc/96/26/72/1184962672.db2.gz DNOAJUHTZFRYGQ-AKHDSKFASA-N 1 3 392.544 0.864 20 0 GCADHO CCC(C)(C)N1CCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000656065499 1184999102 /nfs/dbraw/zinc/99/91/02/1184999102.db2.gz BQLCLSWSXACWPS-UHFFFAOYSA-N 1 3 395.592 0.804 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000275801781 1185084121 /nfs/dbraw/zinc/08/41/21/1185084121.db2.gz DBXPONHKZLGJCY-MRXNPFEDSA-N 1 3 378.521 0.850 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000275801781 1185084126 /nfs/dbraw/zinc/08/41/26/1185084126.db2.gz DBXPONHKZLGJCY-MRXNPFEDSA-N 1 3 378.521 0.850 20 0 GCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CCO1 ZINC000642789474 1185229459 /nfs/dbraw/zinc/22/94/59/1185229459.db2.gz QCIHKTWBSOSRCN-DLBZAZTESA-N 1 3 380.533 0.724 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000580569624 1185278096 /nfs/dbraw/zinc/27/80/96/1185278096.db2.gz YINMLKOFYPLYIM-INIZCTEOSA-N 1 3 376.505 0.021 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000580737289 1185320607 /nfs/dbraw/zinc/32/06/07/1185320607.db2.gz PMCAXUQLCVLVFL-OALUTQOASA-N 1 3 394.560 0.813 20 0 GCADHO CCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000656300995 1185367622 /nfs/dbraw/zinc/36/76/22/1185367622.db2.gz WUVWYNNJWMXIGJ-QGZVFWFLSA-N 1 3 381.565 0.319 20 0 GCADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656312107 1185389649 /nfs/dbraw/zinc/38/96/49/1185389649.db2.gz SKQAUXPDZAYVBA-MSOLQXFVSA-N 1 3 392.544 0.881 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N(C)CC3([NH+](C)C)CCC3)C2)CC1 ZINC000580938444 1185434323 /nfs/dbraw/zinc/43/43/23/1185434323.db2.gz ILZGTSQOSIMWSV-GOSISDBHSA-N 1 3 393.576 0.556 20 0 GCADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656353380 1185447113 /nfs/dbraw/zinc/44/71/13/1185447113.db2.gz ANRYNDQYNAJILU-MSOLQXFVSA-N 1 3 380.533 0.689 20 0 GCADHO CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000580966299 1185452198 /nfs/dbraw/zinc/45/21/98/1185452198.db2.gz PRSSWDVGDXPLRJ-LJQANCHMSA-N 1 3 393.576 0.604 20 0 GCADHO COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000656360776 1185465446 /nfs/dbraw/zinc/46/54/46/1185465446.db2.gz IKJVQPYFUQMRFD-INIZCTEOSA-N 1 3 392.500 0.587 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C ZINC000684150343 1185506894 /nfs/dbraw/zinc/50/68/94/1185506894.db2.gz ULMNPZYJCQPYPA-OAHLLOKOSA-N 1 3 394.520 0.204 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc([C@H]2CCCOC2)nn1C ZINC000684150342 1185507237 /nfs/dbraw/zinc/50/72/37/1185507237.db2.gz ULMNPZYJCQPYPA-HNNXBMFYSA-N 1 3 394.520 0.204 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(OC)ncn1 ZINC000276073530 1185547222 /nfs/dbraw/zinc/54/72/22/1185547222.db2.gz SVRNXCDOXGNEEA-AWEZNQCLSA-N 1 3 378.477 0.298 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(OC)ncn1 ZINC000276073530 1185547226 /nfs/dbraw/zinc/54/72/26/1185547226.db2.gz SVRNXCDOXGNEEA-AWEZNQCLSA-N 1 3 378.477 0.298 20 0 GCADHO CCc1nn(C)cc1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000276096685 1185569519 /nfs/dbraw/zinc/56/95/19/1185569519.db2.gz VVAJPWWRBSVJEI-OAHLLOKOSA-N 1 3 378.521 0.796 20 0 GCADHO CCc1nn(C)cc1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000276096685 1185569522 /nfs/dbraw/zinc/56/95/22/1185569522.db2.gz VVAJPWWRBSVJEI-OAHLLOKOSA-N 1 3 378.521 0.796 20 0 GCADHO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430598346 1185677445 /nfs/dbraw/zinc/67/74/45/1185677445.db2.gz CTROUHJSVSBUIS-QZTJIDSGSA-N 1 3 387.528 0.511 20 0 GCADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC1 ZINC000581440820 1185691545 /nfs/dbraw/zinc/69/15/45/1185691545.db2.gz SDQAKJPXTLWPPI-GBESFXJTSA-N 1 3 385.512 0.850 20 0 GCADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC1 ZINC000581440820 1185691550 /nfs/dbraw/zinc/69/15/50/1185691550.db2.gz SDQAKJPXTLWPPI-GBESFXJTSA-N 1 3 385.512 0.850 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891483488 1185887422 /nfs/dbraw/zinc/88/74/22/1185887422.db2.gz QJMXKGGCZLWFDW-ZIAGYGMSSA-N 1 3 375.464 0.473 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891484809 1185888222 /nfs/dbraw/zinc/88/82/22/1185888222.db2.gz YDLXDBQEJHTVLN-IAGOWNOFSA-N 1 3 395.548 0.387 20 0 GCADHO CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)N1CCN(C)CC1 ZINC000891751542 1186008657 /nfs/dbraw/zinc/00/86/57/1186008657.db2.gz ADEMADRMJQHNMD-QRVBRYPASA-N 1 3 381.565 0.499 20 0 GCADHO CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)N1CCN(C)CC1 ZINC000891751542 1186008664 /nfs/dbraw/zinc/00/86/64/1186008664.db2.gz ADEMADRMJQHNMD-QRVBRYPASA-N 1 3 381.565 0.499 20 0 GCADHO CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)N1CCN(C)CC1 ZINC000891751539 1186008979 /nfs/dbraw/zinc/00/89/79/1186008979.db2.gz ADEMADRMJQHNMD-OTWHNJEPSA-N 1 3 381.565 0.499 20 0 GCADHO CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)N1CCN(C)CC1 ZINC000891751539 1186008982 /nfs/dbraw/zinc/00/89/82/1186008982.db2.gz ADEMADRMJQHNMD-OTWHNJEPSA-N 1 3 381.565 0.499 20 0 GCADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430919893 1186053725 /nfs/dbraw/zinc/05/37/25/1186053725.db2.gz MTEPNCFDZYEYOC-RDBSUJKOSA-N 1 3 382.530 0.959 20 0 GCADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000430968220 1186077077 /nfs/dbraw/zinc/07/70/77/1186077077.db2.gz WBWOYDULHCYZRY-CQSZACIVSA-N 1 3 386.504 0.071 20 0 GCADHO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431013585 1186103051 /nfs/dbraw/zinc/10/30/51/1186103051.db2.gz JGWGMPKOFVWGDA-UHFFFAOYSA-N 1 3 380.514 0.068 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000276840316 1186114954 /nfs/dbraw/zinc/11/49/54/1186114954.db2.gz IRNHMDLHMNNNMS-NVXWUHKLSA-N 1 3 376.505 0.480 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458229846 1186219194 /nfs/dbraw/zinc/21/91/94/1186219194.db2.gz QUSLTXCIKZQWND-DLBZAZTESA-N 1 3 383.537 0.075 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458229846 1186219203 /nfs/dbraw/zinc/21/92/03/1186219203.db2.gz QUSLTXCIKZQWND-DLBZAZTESA-N 1 3 383.537 0.075 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458229862 1186219443 /nfs/dbraw/zinc/21/94/43/1186219443.db2.gz QUSLTXCIKZQWND-SJORKVTESA-N 1 3 383.537 0.075 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458229862 1186219447 /nfs/dbraw/zinc/21/94/47/1186219447.db2.gz QUSLTXCIKZQWND-SJORKVTESA-N 1 3 383.537 0.075 20 0 GCADHO Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001707907000 1186242740 /nfs/dbraw/zinc/24/27/40/1186242740.db2.gz QNNVMFHSMMECHO-GOSISDBHSA-N 1 3 387.532 0.591 20 0 GCADHO Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001707907000 1186242745 /nfs/dbraw/zinc/24/27/45/1186242745.db2.gz QNNVMFHSMMECHO-GOSISDBHSA-N 1 3 387.532 0.591 20 0 GCADHO C[C@@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)CN1CCN(C)CC1 ZINC000431297971 1186329218 /nfs/dbraw/zinc/32/92/18/1186329218.db2.gz IKHIHBADWGDUKE-SFHVURJKSA-N 1 3 396.580 0.161 20 0 GCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000892186864 1186418746 /nfs/dbraw/zinc/41/87/46/1186418746.db2.gz DRAFZFBWHSXJRH-IXDOHACOSA-N 1 3 377.533 0.890 20 0 GCADHO CCN1CCc2ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc21 ZINC000130600956 1186509583 /nfs/dbraw/zinc/50/95/83/1186509583.db2.gz XISSTAUNTXGGIH-UHFFFAOYSA-N 1 3 375.517 0.959 20 0 GCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000560008248 1186527359 /nfs/dbraw/zinc/52/73/59/1186527359.db2.gz HMGGBZDRMYLIJU-CEXWTWQISA-N 1 3 395.592 0.707 20 0 GCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000560008248 1186527363 /nfs/dbraw/zinc/52/73/63/1186527363.db2.gz HMGGBZDRMYLIJU-CEXWTWQISA-N 1 3 395.592 0.707 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@@H](CC(=O)OC)C3)CC2)CC1 ZINC000563384030 1186559479 /nfs/dbraw/zinc/55/94/79/1186559479.db2.gz RXXGQDDGHDUMRL-SFHVURJKSA-N 1 3 381.517 0.973 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000582560283 1186567083 /nfs/dbraw/zinc/56/70/83/1186567083.db2.gz FCEQCERUGLNNNJ-UHFFFAOYSA-N 1 3 394.560 0.983 20 0 GCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000150740609 1186764412 /nfs/dbraw/zinc/76/44/12/1186764412.db2.gz AGKABWHFEOBOAI-SFHVURJKSA-N 1 3 379.549 0.914 20 0 GCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000150740609 1186764417 /nfs/dbraw/zinc/76/44/17/1186764417.db2.gz AGKABWHFEOBOAI-SFHVURJKSA-N 1 3 379.549 0.914 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@H]1CCCN(CCCO)C1 ZINC000458541249 1186862207 /nfs/dbraw/zinc/86/22/07/1186862207.db2.gz AEPWPQBUWUJGFI-OTWHNJEPSA-N 1 3 382.549 0.900 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892346728 1186905802 /nfs/dbraw/zinc/90/58/02/1186905802.db2.gz UQVICTMRMZTVGV-UHFFFAOYSA-N 1 3 385.512 0.782 20 0 GCADHO C[C@H](O)CN1CCN(c2cnc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)cn2)[C@@H](C)C1 ZINC000685273061 1187008615 /nfs/dbraw/zinc/00/86/15/1187008615.db2.gz FKUHFMQIWONCJQ-XSLAGTTESA-N 1 3 392.548 0.259 20 0 GCADHO C[C@H](O)CN1CCN(c2cnc(N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)cn2)[C@@H](C)C1 ZINC000685273061 1187008620 /nfs/dbraw/zinc/00/86/20/1187008620.db2.gz FKUHFMQIWONCJQ-XSLAGTTESA-N 1 3 392.548 0.259 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611840126 1187047011 /nfs/dbraw/zinc/04/70/11/1187047011.db2.gz ZTARILXRHDSGAT-IRXDYDNUSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000612486222 1187506103 /nfs/dbraw/zinc/50/61/03/1187506103.db2.gz QMBIORQYRXETJQ-ZWKOTPCHSA-N 1 3 382.549 0.792 20 0 GCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000612546587 1187523076 /nfs/dbraw/zinc/52/30/76/1187523076.db2.gz UGJZFRHHKQZDAC-OKZBNKHCSA-N 1 3 379.549 0.071 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CO)CN2CCCCC2)CC1=O ZINC000413822555 1187529956 /nfs/dbraw/zinc/52/99/56/1187529956.db2.gz UHTFSQUDFQIMGL-FGTMMUONSA-N 1 3 380.533 0.282 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CO)CN2CCCCC2)CC1=O ZINC000413822555 1187529962 /nfs/dbraw/zinc/52/99/62/1187529962.db2.gz UHTFSQUDFQIMGL-FGTMMUONSA-N 1 3 380.533 0.282 20 0 GCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC[C@H]21 ZINC000612595562 1187534997 /nfs/dbraw/zinc/53/49/97/1187534997.db2.gz IVLUNMHEPCZXRS-KBAYOESNSA-N 1 3 378.517 0.299 20 0 GCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC[C@H]21 ZINC000612595562 1187535000 /nfs/dbraw/zinc/53/50/00/1187535000.db2.gz IVLUNMHEPCZXRS-KBAYOESNSA-N 1 3 378.517 0.299 20 0 GCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612596422 1187536106 /nfs/dbraw/zinc/53/61/06/1187536106.db2.gz OZFOXWVJCUCZHU-KRWDZBQOSA-N 1 3 392.500 0.539 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000612595932 1187536653 /nfs/dbraw/zinc/53/66/53/1187536653.db2.gz LKVLNDFBYUSHNW-SJLPKXTDSA-N 1 3 378.517 0.300 20 0 GCADHO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000612599138 1187538706 /nfs/dbraw/zinc/53/87/06/1187538706.db2.gz PUJVEIRPQHJZQH-MSOLQXFVSA-N 1 3 378.517 0.443 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000612599365 1187538765 /nfs/dbraw/zinc/53/87/65/1187538765.db2.gz UISQZKCHLFGPCH-RBUKOAKNSA-N 1 3 392.544 0.833 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000612599366 1187538924 /nfs/dbraw/zinc/53/89/24/1187538924.db2.gz UISQZKCHLFGPCH-RTBURBONSA-N 1 3 392.544 0.833 20 0 GCADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCCN1CCC(O)CC1 ZINC000892544569 1187747157 /nfs/dbraw/zinc/74/71/57/1187747157.db2.gz MXDSGHXJHOBALK-UHFFFAOYSA-N 1 3 390.532 0.350 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892651393 1187882366 /nfs/dbraw/zinc/88/23/66/1187882366.db2.gz YCHHLRCTUDKONL-KURKYZTESA-N 1 3 395.548 0.170 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892651393 1187882368 /nfs/dbraw/zinc/88/23/68/1187882368.db2.gz YCHHLRCTUDKONL-KURKYZTESA-N 1 3 395.548 0.170 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000659318521 1187943502 /nfs/dbraw/zinc/94/35/02/1187943502.db2.gz KCGIZSBTCWDBHK-GOSISDBHSA-N 1 3 394.491 0.757 20 0 GCADHO CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1C ZINC000659345087 1187945044 /nfs/dbraw/zinc/94/50/44/1187945044.db2.gz YSCOLSZMSDHWFV-MOPGFXCFSA-N 1 3 393.576 0.412 20 0 GCADHO CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1C ZINC000659345087 1187945045 /nfs/dbraw/zinc/94/50/45/1187945045.db2.gz YSCOLSZMSDHWFV-MOPGFXCFSA-N 1 3 393.576 0.412 20 0 GCADHO CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1C ZINC000659345087 1187945048 /nfs/dbraw/zinc/94/50/48/1187945048.db2.gz YSCOLSZMSDHWFV-MOPGFXCFSA-N 1 3 393.576 0.412 20 0 GCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)C1 ZINC000659456309 1187961084 /nfs/dbraw/zinc/96/10/84/1187961084.db2.gz KMEFWQJMGSJISM-DZGCQCFKSA-N 1 3 380.493 0.577 20 0 GCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)C1 ZINC000659456309 1187961086 /nfs/dbraw/zinc/96/10/86/1187961086.db2.gz KMEFWQJMGSJISM-DZGCQCFKSA-N 1 3 380.493 0.577 20 0 GCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000659566597 1187970862 /nfs/dbraw/zinc/97/08/62/1187970862.db2.gz MVFJUTFRAMOADH-HXUWFJFHSA-N 1 3 386.544 0.983 20 0 GCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659565409 1187971760 /nfs/dbraw/zinc/97/17/60/1187971760.db2.gz IDGLKHHLPZOEHB-FQEVSTJZSA-N 1 3 386.544 0.983 20 0 GCADHO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659631572 1187978303 /nfs/dbraw/zinc/97/83/03/1187978303.db2.gz YGCDUTUSMNCSAI-UHFFFAOYSA-N 1 3 388.472 0.923 20 0 GCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659632814 1187978961 /nfs/dbraw/zinc/97/89/61/1187978961.db2.gz HXRXDGKRAQUTTJ-HUUCEWRRSA-N 1 3 391.520 0.341 20 0 GCADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659680784 1187993875 /nfs/dbraw/zinc/99/38/75/1187993875.db2.gz KVQVOSJAFVLPFD-STQMWFEESA-N 1 3 392.504 0.130 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659680782 1187994044 /nfs/dbraw/zinc/99/40/44/1187994044.db2.gz KVQVOSJAFVLPFD-BETUJISGSA-N 1 3 392.504 0.130 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659680782 1187994046 /nfs/dbraw/zinc/99/40/46/1187994046.db2.gz KVQVOSJAFVLPFD-BETUJISGSA-N 1 3 392.504 0.130 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000659688613 1187997358 /nfs/dbraw/zinc/99/73/58/1187997358.db2.gz CRDMPZFQUPTUJO-HNNXBMFYSA-N 1 3 390.488 0.170 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000659688613 1187997361 /nfs/dbraw/zinc/99/73/61/1187997361.db2.gz CRDMPZFQUPTUJO-HNNXBMFYSA-N 1 3 390.488 0.170 20 0 GCADHO O=C(C(=O)N1CC[NH+](CC2CCOCC2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000659688163 1187998132 /nfs/dbraw/zinc/99/81/32/1187998132.db2.gz GSZZLKBPYBPCTJ-SFHVURJKSA-N 1 3 376.501 0.030 20 0 GCADHO [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)CCCC1 ZINC000659706382 1188002171 /nfs/dbraw/zinc/00/21/71/1188002171.db2.gz KDINZTGCWIDILR-UHFFFAOYSA-N 1 3 388.512 0.647 20 0 GCADHO CN1CCN(CCCCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659699125 1188004117 /nfs/dbraw/zinc/00/41/17/1188004117.db2.gz QDBCRZLDXZVRBF-IBGZPJMESA-N 1 3 393.576 0.368 20 0 GCADHO O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659719322 1188007593 /nfs/dbraw/zinc/00/75/93/1188007593.db2.gz HBXZPIYRTAGYCH-GOSISDBHSA-N 1 3 380.533 0.785 20 0 GCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659718238 1188007613 /nfs/dbraw/zinc/00/76/13/1188007613.db2.gz MUPZXBPWIHEFRL-GOSISDBHSA-N 1 3 375.517 0.899 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000659739415 1188017924 /nfs/dbraw/zinc/01/79/24/1188017924.db2.gz TYFMGLHTTUQSDP-UHOSZYNNSA-N 1 3 392.544 0.737 20 0 GCADHO CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000415392333 1188071020 /nfs/dbraw/zinc/07/10/20/1188071020.db2.gz NKJPCUQDFGXSTR-KRWDZBQOSA-N 1 3 386.500 1.323 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000415468950 1188087465 /nfs/dbraw/zinc/08/74/65/1188087465.db2.gz WJAGKXQCLRYNGY-QFBILLFUSA-N 1 3 387.528 0.958 20 0 GCADHO CN(C(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000415743067 1188155561 /nfs/dbraw/zinc/15/55/61/1188155561.db2.gz MJXVCVKHUXPTHO-INIZCTEOSA-N 1 3 382.468 0.699 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415751286 1188155658 /nfs/dbraw/zinc/15/56/58/1188155658.db2.gz VXIICMCCAQBOPC-IRXDYDNUSA-N 1 3 385.512 0.835 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000415747381 1188156980 /nfs/dbraw/zinc/15/69/80/1188156980.db2.gz OPOKAYKTSYGXDB-RBUKOAKNSA-N 1 3 399.539 0.831 20 0 GCADHO O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415861139 1189384919 /nfs/dbraw/zinc/38/49/19/1189384919.db2.gz IECYXSHFGJKZCE-SFHVURJKSA-N 1 3 390.484 0.594 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)c2)CC1 ZINC000415864310 1189386002 /nfs/dbraw/zinc/38/60/02/1189386002.db2.gz SIPLMEXCBPGPQH-SFHVURJKSA-N 1 3 389.500 0.343 20 0 GCADHO CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000041641142 1189455391 /nfs/dbraw/zinc/45/53/91/1189455391.db2.gz BXPXRUNEKHMHDD-INIZCTEOSA-N 1 3 375.517 0.829 20 0 GCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000363806975 1189484408 /nfs/dbraw/zinc/48/44/08/1189484408.db2.gz SCDYVSCOUHITDI-GOSISDBHSA-N 1 3 393.576 0.415 20 0 GCADHO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)O1 ZINC000378437374 1189509492 /nfs/dbraw/zinc/50/94/92/1189509492.db2.gz SIIWYQQNUREZMV-QZTJIDSGSA-N 1 3 395.548 0.480 20 0 GCADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000511571526 1189559190 /nfs/dbraw/zinc/55/91/90/1189559190.db2.gz HCQAYJJWTXTCDH-IEBWSBKVSA-N 1 3 390.528 0.660 20 0 GCADHO C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C(=O)NCC[NH+](C)C ZINC000582072552 1189570738 /nfs/dbraw/zinc/57/07/38/1189570738.db2.gz ZFGVOYOMBOONOH-SFHVURJKSA-N 1 3 389.544 0.771 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000416997273 1189606363 /nfs/dbraw/zinc/60/63/63/1189606363.db2.gz VRWCATYWNFYLPT-UHFFFAOYSA-N 1 3 388.560 0.529 20 0 GCADHO CN1CCN(CCCNC(=O)NC[C@H]2C[NH2+]CCN2C)[C@@H](c2ccccc2)C1 ZINC000417022155 1189609067 /nfs/dbraw/zinc/60/90/67/1189609067.db2.gz NXFPCMVIBZQFTN-WOJBJXKFSA-N 1 3 388.560 0.568 20 0 GCADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)NCCN1CC[NH2+]CC1 ZINC000417160045 1189626375 /nfs/dbraw/zinc/62/63/75/1189626375.db2.gz XVBPDOHDDOVFLN-UHFFFAOYSA-N 1 3 388.560 0.793 20 0 GCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000660176934 1189635512 /nfs/dbraw/zinc/63/55/12/1189635512.db2.gz GZDQCKVKHUIKMS-UHFFFAOYSA-N 1 3 385.468 0.914 20 0 GCADHO C[C@H](CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)CN1CCN(C)CC1 ZINC000584795458 1189670056 /nfs/dbraw/zinc/67/00/56/1189670056.db2.gz OWOKZAASYANQBJ-RTBURBONSA-N 1 3 395.592 0.757 20 0 GCADHO C[C@H](CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C)CN1CCN(C)CC1 ZINC000584795458 1189670058 /nfs/dbraw/zinc/67/00/58/1189670058.db2.gz OWOKZAASYANQBJ-RTBURBONSA-N 1 3 395.592 0.757 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)CN1CCN(C)CC1 ZINC000584795456 1189670381 /nfs/dbraw/zinc/67/03/81/1189670381.db2.gz OWOKZAASYANQBJ-RBUKOAKNSA-N 1 3 395.592 0.757 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C)CN1CCN(C)CC1 ZINC000584795456 1189670383 /nfs/dbraw/zinc/67/03/83/1189670383.db2.gz OWOKZAASYANQBJ-RBUKOAKNSA-N 1 3 395.592 0.757 20 0 GCADHO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN(C2CCCC2)CC1 ZINC000660342522 1189723167 /nfs/dbraw/zinc/72/31/67/1189723167.db2.gz KHOCXWZERMIOPY-QGZVFWFLSA-N 1 3 392.544 0.785 20 0 GCADHO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN(C2CCCC2)CC1 ZINC000660342522 1189723169 /nfs/dbraw/zinc/72/31/69/1189723169.db2.gz KHOCXWZERMIOPY-QGZVFWFLSA-N 1 3 392.544 0.785 20 0 GCADHO O=C(NCCN1CC[NH2+]CC1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418304130 1189755533 /nfs/dbraw/zinc/75/55/33/1189755533.db2.gz XBMIKSWGLRTHFT-MOPGFXCFSA-N 1 3 375.517 0.074 20 0 GCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000661441983 1190048793 /nfs/dbraw/zinc/04/87/93/1190048793.db2.gz JNCKASGWUOQFBG-INIZCTEOSA-N 1 3 395.548 0.639 20 0 GCADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419233197 1193744513 /nfs/dbraw/zinc/74/45/13/1193744513.db2.gz VQPUBNBLERPTJN-JFIYKMOQSA-N 1 3 388.512 0.364 20 0 GCADHO CN1CCN(C(=O)CC2CCN(C(=O)CCCN3CCC([NH3+])CC3)CC2)CC1 ZINC000433128282 1193761787 /nfs/dbraw/zinc/76/17/87/1193761787.db2.gz LCBTUSURYOGWQV-UHFFFAOYSA-N 1 3 393.576 0.592 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000512814060 1193778197 /nfs/dbraw/zinc/77/81/97/1193778197.db2.gz KLJOVYUDHRWBJD-LJQANCHMSA-N 1 3 381.565 0.646 20 0 GCADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000512831826 1193781607 /nfs/dbraw/zinc/78/16/07/1193781607.db2.gz FGQNXXIFLWLSAQ-MJGOQNOKSA-N 1 3 387.528 0.811 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000512836709 1193786056 /nfs/dbraw/zinc/78/60/56/1193786056.db2.gz BGTMKJRPJIMPER-IBGZPJMESA-N 1 3 381.565 0.646 20 0 GCADHO C[C@H]1C[N@H+](CCCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000433324810 1193807429 /nfs/dbraw/zinc/80/74/29/1193807429.db2.gz CPRJCXMATSXKQZ-ZWKOTPCHSA-N 1 3 397.564 0.729 20 0 GCADHO C[C@H]1C[N@@H+](CCCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000433324810 1193807435 /nfs/dbraw/zinc/80/74/35/1193807435.db2.gz CPRJCXMATSXKQZ-ZWKOTPCHSA-N 1 3 397.564 0.729 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)cc2)CC1 ZINC000419331281 1193824617 /nfs/dbraw/zinc/82/46/17/1193824617.db2.gz GVLLKSVWIKIMMO-KRWDZBQOSA-N 1 3 389.544 0.412 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H](C)C[NH3+])cc2)CC1 ZINC000419346104 1193841953 /nfs/dbraw/zinc/84/19/53/1193841953.db2.gz UWLSFRKACUCNSX-MRXNPFEDSA-N 1 3 375.517 0.151 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419350829 1193845435 /nfs/dbraw/zinc/84/54/35/1193845435.db2.gz ZTRSCBCDCCASQB-LJQANCHMSA-N 1 3 387.528 0.309 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433457643 1193861085 /nfs/dbraw/zinc/86/10/85/1193861085.db2.gz QEFKGOXLXSJFNP-GOSISDBHSA-N 1 3 397.564 0.683 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433457643 1193861088 /nfs/dbraw/zinc/86/10/88/1193861088.db2.gz QEFKGOXLXSJFNP-GOSISDBHSA-N 1 3 397.564 0.683 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000513475905 1193955355 /nfs/dbraw/zinc/95/53/55/1193955355.db2.gz LZANYBGUMRWXSC-MRXNPFEDSA-N 1 3 397.564 0.092 20 0 GCADHO CO[C@@H]1CC[C@H](NC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419399072 1194019384 /nfs/dbraw/zinc/01/93/84/1194019384.db2.gz IWAWUOJPQVAZNU-ZWKOTPCHSA-N 1 3 388.512 0.780 20 0 GCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000419403416 1194021296 /nfs/dbraw/zinc/02/12/96/1194021296.db2.gz DOVMWQUPJMBQCE-UWWQBHOKSA-N 1 3 376.476 0.927 20 0 GCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419425551 1194026345 /nfs/dbraw/zinc/02/63/45/1194026345.db2.gz VZEPGKJABWPLMG-RBUKOAKNSA-N 1 3 389.544 0.581 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000419427551 1194026504 /nfs/dbraw/zinc/02/65/04/1194026504.db2.gz ZFDBBASXXXRLMP-RTBURBONSA-N 1 3 387.528 0.350 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419427178 1194027614 /nfs/dbraw/zinc/02/76/14/1194027614.db2.gz YTUZSNOGOCLUBF-RBUKOAKNSA-N 1 3 387.528 0.335 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419412888 1194029800 /nfs/dbraw/zinc/02/98/00/1194029800.db2.gz DRJIIXREDUZBCY-UXHICEINSA-N 1 3 399.539 0.131 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000419411216 1194029817 /nfs/dbraw/zinc/02/98/17/1194029817.db2.gz BFISTCOIYCJCAP-IPMKNSEASA-N 1 3 388.512 0.904 20 0 GCADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419411243 1194029949 /nfs/dbraw/zinc/02/99/49/1194029949.db2.gz BIOQBQGHTKFNQM-GOSISDBHSA-N 1 3 390.528 0.355 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419411951 1194030185 /nfs/dbraw/zinc/03/01/85/1194030185.db2.gz CJHGETAAOQRYBA-OALUTQOASA-N 1 3 387.528 0.335 20 0 GCADHO C[NH2+]CCCN(C)C(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419413380 1194030276 /nfs/dbraw/zinc/03/02/76/1194030276.db2.gz FLIGFYDSBCWKFL-LJQANCHMSA-N 1 3 389.544 0.549 20 0 GCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000419414859 1194031266 /nfs/dbraw/zinc/03/12/66/1194031266.db2.gz HHFMNHHOLIIRJH-RBUKOAKNSA-N 1 3 387.528 0.302 20 0 GCADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419451280 1194037718 /nfs/dbraw/zinc/03/77/18/1194037718.db2.gz NAUMDQMGMNPMLG-DLBZAZTESA-N 1 3 380.464 0.163 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)c1 ZINC000419509622 1194048112 /nfs/dbraw/zinc/04/81/12/1194048112.db2.gz FODJZAVWRWICHU-SFHVURJKSA-N 1 3 389.544 0.867 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419522751 1194053615 /nfs/dbraw/zinc/05/36/15/1194053615.db2.gz NJRKIIDYZCBVQX-IAGOWNOFSA-N 1 3 395.548 0.069 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419522756 1194053674 /nfs/dbraw/zinc/05/36/74/1194053674.db2.gz NJRKIIDYZCBVQX-SJORKVTESA-N 1 3 395.548 0.069 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CCSC1 ZINC000419577741 1194059773 /nfs/dbraw/zinc/05/97/73/1194059773.db2.gz DWGLSLQSTUFILU-MDZRGWNJSA-N 1 3 398.573 0.285 20 0 GCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCSC1 ZINC000419579352 1194060481 /nfs/dbraw/zinc/06/04/81/1194060481.db2.gz HAFCXCRUOSYWLW-ZSZQSSIHSA-N 1 3 394.516 0.632 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCSC1 ZINC000419583857 1194060828 /nfs/dbraw/zinc/06/08/28/1194060828.db2.gz LQMVKRSUYJPJHI-FCEWJHQRSA-N 1 3 376.526 0.493 20 0 GCADHO CN(C)[C@@]1(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCSC1 ZINC000419587684 1194066311 /nfs/dbraw/zinc/06/63/11/1194066311.db2.gz QCPGJZAMKKZDRG-LJQANCHMSA-N 1 3 378.542 0.918 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000419708205 1194083635 /nfs/dbraw/zinc/08/36/35/1194083635.db2.gz GYKWOPSPSSYJEX-YOEHRIQHSA-N 1 3 376.501 0.636 20 0 GCADHO CC(C)([NH3+])CNC(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000419698046 1194086714 /nfs/dbraw/zinc/08/67/14/1194086714.db2.gz YFIJODVSZXCORT-UHFFFAOYSA-N 1 3 389.544 0.554 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000419748161 1194095568 /nfs/dbraw/zinc/09/55/68/1194095568.db2.gz FMJZHHSKGPBXEO-BHYGNILZSA-N 1 3 380.533 0.578 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000419746324 1194095884 /nfs/dbraw/zinc/09/58/84/1194095884.db2.gz BUGAYCGMOYRIFA-UHFFFAOYSA-N 1 3 394.560 0.984 20 0 GCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000419850225 1194114175 /nfs/dbraw/zinc/11/41/75/1194114175.db2.gz DYZMDQBJSOAYBO-UHFFFAOYSA-N 1 3 389.544 0.297 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419838542 1194118381 /nfs/dbraw/zinc/11/83/81/1194118381.db2.gz GAEUDPCQHSWGMF-NUJGCVRESA-N 1 3 380.533 0.593 20 0 GCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419861525 1194124742 /nfs/dbraw/zinc/12/47/42/1194124742.db2.gz FMEUFCZKKXYNOU-UHFFFAOYSA-N 1 3 381.546 0.050 20 0 GCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000419984795 1194147422 /nfs/dbraw/zinc/14/74/22/1194147422.db2.gz AKHZPKBJFFHNET-QGZVFWFLSA-N 1 3 375.517 0.116 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419976998 1194151402 /nfs/dbraw/zinc/15/14/02/1194151402.db2.gz MGFVQLQPYBSUJM-FGTMMUONSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000420030648 1194160422 /nfs/dbraw/zinc/16/04/22/1194160422.db2.gz GPKTWIUPVRKIIN-GDBMZVCRSA-N 1 3 384.521 0.175 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420043656 1194168254 /nfs/dbraw/zinc/16/82/54/1194168254.db2.gz OUDXQCBJFMGKIG-CYGHRXIMSA-N 1 3 380.533 0.578 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420049105 1194169638 /nfs/dbraw/zinc/16/96/38/1194169638.db2.gz YCZHXAWXZZDNQO-DOTOQJQBSA-N 1 3 396.532 0.319 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420050876 1194170328 /nfs/dbraw/zinc/17/03/28/1194170328.db2.gz FYRPTANYGYYUTE-UHFFFAOYSA-N 1 3 381.565 0.511 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000420055150 1194171021 /nfs/dbraw/zinc/17/10/21/1194171021.db2.gz HQBKFFUILLXIRY-HIFRSBDPSA-N 1 3 382.530 0.868 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1)Cc1ccccc1 ZINC000420074714 1194173302 /nfs/dbraw/zinc/17/33/02/1194173302.db2.gz IRQBKNJSRSHMON-UHFFFAOYSA-N 1 3 375.517 0.116 20 0 GCADHO C[C@H]1CN(CC2CCN(C(=O)C(=O)NCC3(C)CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000420093613 1194183727 /nfs/dbraw/zinc/18/37/27/1194183727.db2.gz WYXFNXUIYLTRDR-IRXDYDNUSA-N 1 3 394.560 0.840 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000420183229 1194197755 /nfs/dbraw/zinc/19/77/55/1194197755.db2.gz GNNIDGUUWGHGPF-DOTOQJQBSA-N 1 3 376.501 0.829 20 0 GCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420186329 1194198747 /nfs/dbraw/zinc/19/87/47/1194198747.db2.gz APXBHCYVIPRPOB-MRXNPFEDSA-N 1 3 382.892 0.335 20 0 GCADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420198991 1194202408 /nfs/dbraw/zinc/20/24/08/1194202408.db2.gz MYRIHKUXCMUVJN-OALUTQOASA-N 1 3 388.512 0.462 20 0 GCADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420198991 1194202412 /nfs/dbraw/zinc/20/24/12/1194202412.db2.gz MYRIHKUXCMUVJN-OALUTQOASA-N 1 3 388.512 0.462 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC000420199197 1194202427 /nfs/dbraw/zinc/20/24/27/1194202427.db2.gz DNAWZFUMCNWMCX-DLBZAZTESA-N 1 3 388.512 0.732 20 0 GCADHO NC1(CNC(=O)C(=O)N2CCSCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000420202219 1194203870 /nfs/dbraw/zinc/20/38/70/1194203870.db2.gz JAKWFTSMIZVTPH-UHFFFAOYSA-N 1 3 376.526 0.672 20 0 GCADHO CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1)CC(C)C ZINC000420205794 1194205346 /nfs/dbraw/zinc/20/53/46/1194205346.db2.gz SHCBFABJNNHXNV-GOSISDBHSA-N 1 3 382.549 0.698 20 0 GCADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1)CC(C)C ZINC000420205794 1194205349 /nfs/dbraw/zinc/20/53/49/1194205349.db2.gz SHCBFABJNNHXNV-GOSISDBHSA-N 1 3 382.549 0.698 20 0 GCADHO CCOCCN(CC)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420207352 1194205630 /nfs/dbraw/zinc/20/56/30/1194205630.db2.gz QMWJYSIOBGJFCY-UHFFFAOYSA-N 1 3 390.528 0.981 20 0 GCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420187122 1194205805 /nfs/dbraw/zinc/20/58/05/1194205805.db2.gz LTYYCIMZZKGRFW-KRWDZBQOSA-N 1 3 396.919 0.725 20 0 GCADHO CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1)CC1CC1 ZINC000420187763 1194206424 /nfs/dbraw/zinc/20/64/24/1194206424.db2.gz BXLRIFQAAVKNFQ-GOSISDBHSA-N 1 3 380.533 0.452 20 0 GCADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1)CC1CC1 ZINC000420187763 1194206428 /nfs/dbraw/zinc/20/64/28/1194206428.db2.gz BXLRIFQAAVKNFQ-GOSISDBHSA-N 1 3 380.533 0.452 20 0 GCADHO NC1(CNC(=O)C(=O)N2C[C@@H](F)C[C@@H]2CO)CC[NH+](Cc2ccccc2)CC1 ZINC000420213882 1194213994 /nfs/dbraw/zinc/21/39/94/1194213994.db2.gz YYQNBMKPBXQBAY-DLBZAZTESA-N 1 3 392.475 0.027 20 0 GCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501651817 1194218549 /nfs/dbraw/zinc/21/85/49/1194218549.db2.gz YLEVNJDUKWASIQ-FUHWJXTLSA-N 1 3 394.560 0.840 20 0 GCADHO COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422101230 1194385186 /nfs/dbraw/zinc/38/51/86/1194385186.db2.gz FHRRPXZTXDOUKP-SFHVURJKSA-N 1 3 398.548 0.125 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCCN2C)[C@H](C)C1 ZINC000422325502 1194614739 /nfs/dbraw/zinc/61/47/39/1194614739.db2.gz KEIAGIWOAMLBKO-KURKYZTESA-N 1 3 382.549 0.792 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCCN2C)[C@H](C)C1 ZINC000422325502 1194614742 /nfs/dbraw/zinc/61/47/42/1194614742.db2.gz KEIAGIWOAMLBKO-KURKYZTESA-N 1 3 382.549 0.792 20 0 GCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000422378180 1194627147 /nfs/dbraw/zinc/62/71/47/1194627147.db2.gz LTGJEBPEGKMURP-MOPGFXCFSA-N 1 3 388.512 0.422 20 0 GCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000422378180 1194627152 /nfs/dbraw/zinc/62/71/52/1194627152.db2.gz LTGJEBPEGKMURP-MOPGFXCFSA-N 1 3 388.512 0.422 20 0 GCADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000422975340 1194714776 /nfs/dbraw/zinc/71/47/76/1194714776.db2.gz SOCYCDZOYQBFRP-NZSAHSFTSA-N 1 3 388.512 0.810 20 0 GCADHO CCOc1ccnc(N2CCC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)CC2)n1 ZINC000414711338 1194716954 /nfs/dbraw/zinc/71/69/54/1194716954.db2.gz RFXHUDQNYBUOEK-MRXNPFEDSA-N 1 3 376.505 0.585 20 0 GCADHO CCOc1ccnc(N2CCC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)CC2)n1 ZINC000414711338 1194716957 /nfs/dbraw/zinc/71/69/57/1194716957.db2.gz RFXHUDQNYBUOEK-MRXNPFEDSA-N 1 3 376.505 0.585 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423101573 1194727304 /nfs/dbraw/zinc/72/73/04/1194727304.db2.gz WAOKPUOLJFSNRF-AEFFLSMTSA-N 1 3 376.476 0.926 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423101576 1194727399 /nfs/dbraw/zinc/72/73/99/1194727399.db2.gz WAOKPUOLJFSNRF-FUHWJXTLSA-N 1 3 376.476 0.926 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423103638 1194729669 /nfs/dbraw/zinc/72/96/69/1194729669.db2.gz XRUONONMIHQQBU-NVXWUHKLSA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423103639 1194729847 /nfs/dbraw/zinc/72/98/47/1194729847.db2.gz XRUONONMIHQQBU-RDJZCZTQSA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423169127 1194735058 /nfs/dbraw/zinc/73/50/58/1194735058.db2.gz VNRVRXBOAAEXFJ-IRXDYDNUSA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423168957 1194735135 /nfs/dbraw/zinc/73/51/35/1194735135.db2.gz VNRVRXBOAAEXFJ-IAGOWNOFSA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423170711 1194735601 /nfs/dbraw/zinc/73/56/01/1194735601.db2.gz YPJRDLCKHQCESK-QGZVFWFLSA-N 1 3 380.464 0.292 20 0 GCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)o1 ZINC000423171710 1194735684 /nfs/dbraw/zinc/73/56/84/1194735684.db2.gz PQWJNKWFSVIMBM-UHFFFAOYSA-N 1 3 394.516 0.835 20 0 GCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000423210828 1194737437 /nfs/dbraw/zinc/73/74/37/1194737437.db2.gz XRPXDYHQBIIHOV-LMMKCTJWSA-N 1 3 394.560 0.792 20 0 GCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423210831 1194737470 /nfs/dbraw/zinc/73/74/70/1194737470.db2.gz XRPXDYHQBIIHOV-ZIFCJYIRSA-N 1 3 394.560 0.792 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423210817 1194737501 /nfs/dbraw/zinc/73/75/01/1194737501.db2.gz XPVFCOXXUAHIPX-IRXDYDNUSA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423210815 1194737522 /nfs/dbraw/zinc/73/75/22/1194737522.db2.gz XPVFCOXXUAHIPX-DLBZAZTESA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423205396 1194739531 /nfs/dbraw/zinc/73/95/31/1194739531.db2.gz POPFKOGFERCUSI-JKSUJKDBSA-N 1 3 394.466 0.923 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000423204699 1194739652 /nfs/dbraw/zinc/73/96/52/1194739652.db2.gz OOWJEXAMOSLVGK-MXTNKPTQSA-N 1 3 394.560 0.778 20 0 GCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)C1 ZINC000423258757 1194744391 /nfs/dbraw/zinc/74/43/91/1194744391.db2.gz CGDVIJOCWXOWHR-IBGZPJMESA-N 1 3 387.528 0.083 20 0 GCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423503140 1194759983 /nfs/dbraw/zinc/75/99/83/1194759983.db2.gz MPZZXVZCBDBFCP-JZXOWHBKSA-N 1 3 380.533 0.545 20 0 GCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(OC)c2)C1 ZINC000423484239 1194760490 /nfs/dbraw/zinc/76/04/90/1194760490.db2.gz UEDKJFJSDOVWJL-KRWDZBQOSA-N 1 3 376.501 0.653 20 0 GCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000423511508 1194761929 /nfs/dbraw/zinc/76/19/29/1194761929.db2.gz TYXUIKWRLNFSRM-VXNCWWDNSA-N 1 3 394.560 0.920 20 0 GCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000423612567 1194773609 /nfs/dbraw/zinc/77/36/09/1194773609.db2.gz PYIJNNCLLALTRW-UHFFFAOYSA-N 1 3 396.557 0.995 20 0 GCADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414780329 1194807300 /nfs/dbraw/zinc/80/73/00/1194807300.db2.gz SUNVZEOPGMAXKL-KRWDZBQOSA-N 1 3 390.484 0.676 20 0 GCADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000424330823 1194808530 /nfs/dbraw/zinc/80/85/30/1194808530.db2.gz INTUKIXHLSVZCO-IAGOWNOFSA-N 1 3 380.514 0.379 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414803928 1194826730 /nfs/dbraw/zinc/82/67/30/1194826730.db2.gz DGYCFRAAMVUXFL-UHFFFAOYSA-N 1 3 375.473 0.096 20 0 GCADHO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000414864486 1194884059 /nfs/dbraw/zinc/88/40/59/1194884059.db2.gz CTMCSTAWALXHBS-JOCHJYFZSA-N 1 3 394.475 0.982 20 0 GCADHO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000414864486 1194884064 /nfs/dbraw/zinc/88/40/64/1194884064.db2.gz CTMCSTAWALXHBS-JOCHJYFZSA-N 1 3 394.475 0.982 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000664473472 1194895919 /nfs/dbraw/zinc/89/59/19/1194895919.db2.gz RNZSJLZSNDBGJO-IAGOWNOFSA-N 1 3 383.537 0.026 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000514729484 1194900941 /nfs/dbraw/zinc/90/09/41/1194900941.db2.gz JMFQOOFSFGLUAD-UHFFFAOYSA-N 1 3 393.517 0.434 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000425403765 1194959430 /nfs/dbraw/zinc/95/94/30/1194959430.db2.gz ONYKZGJTQDZTCT-YDZRNGNQSA-N 1 3 391.560 0.023 20 0 GCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425407612 1194962260 /nfs/dbraw/zinc/96/22/60/1194962260.db2.gz VRNDSIHJGXXUPO-PKOBYXMFSA-N 1 3 394.560 0.888 20 0 GCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000515500879 1194978744 /nfs/dbraw/zinc/97/87/44/1194978744.db2.gz QNPLRKVHCIBJEA-WBVHZDCISA-N 1 3 391.520 0.137 20 0 GCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000652732338 1194987753 /nfs/dbraw/zinc/98/77/53/1194987753.db2.gz JEHNWCLMHNSYNW-QZTJIDSGSA-N 1 3 380.533 0.676 20 0 GCADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN2C2CCOCC2)c1 ZINC000516570883 1195072222 /nfs/dbraw/zinc/07/22/22/1195072222.db2.gz IUDPISDBFUSEKH-QGZVFWFLSA-N 1 3 396.513 0.506 20 0 GCADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000516629826 1195078858 /nfs/dbraw/zinc/07/88/58/1195078858.db2.gz UUPVJRZWHLOFSN-UHFFFAOYSA-N 1 3 382.549 0.888 20 0 GCADHO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000506052671 1195113607 /nfs/dbraw/zinc/11/36/07/1195113607.db2.gz XGHGLVKSZNAMIZ-INIZCTEOSA-N 1 3 384.521 0.672 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000516989988 1195121469 /nfs/dbraw/zinc/12/14/69/1195121469.db2.gz XMIIYXCFSNPVGQ-UHFFFAOYSA-N 1 3 382.549 0.936 20 0 GCADHO C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425895969 1195153844 /nfs/dbraw/zinc/15/38/44/1195153844.db2.gz WSCFYLLNVRTVFM-RBUKOAKNSA-N 1 3 388.512 0.414 20 0 GCADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000517395884 1195178551 /nfs/dbraw/zinc/17/85/51/1195178551.db2.gz UCMNRMUIXFLEOX-UXHICEINSA-N 1 3 399.539 0.273 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCC(C)CC1 ZINC000518247547 1195271370 /nfs/dbraw/zinc/27/13/70/1195271370.db2.gz FKUQRWRTKVMBQV-BHIYHBOVSA-N 1 3 394.560 0.717 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CCC[C@H](C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000518360321 1195282791 /nfs/dbraw/zinc/28/27/91/1195282791.db2.gz QMBCHBHGLVOYPM-ZHALLVOQSA-N 1 3 394.560 0.922 20 0 GCADHO CCC[NH+]1CCC(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000550135900 1195446496 /nfs/dbraw/zinc/44/64/96/1195446496.db2.gz UUXHANVGNTVJRZ-QGZVFWFLSA-N 1 3 395.548 0.036 20 0 GCADHO CC1CC[NH+](CCCNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000550136154 1195446741 /nfs/dbraw/zinc/44/67/41/1195446741.db2.gz ADRKCJYKBBRTDV-UHFFFAOYSA-N 1 3 381.565 0.321 20 0 GCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000664832820 1195450834 /nfs/dbraw/zinc/45/08/34/1195450834.db2.gz MBHNNVPAHCICAM-JYJNAYRXSA-N 1 3 391.582 0.276 20 0 GCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000664832820 1195450837 /nfs/dbraw/zinc/45/08/37/1195450837.db2.gz MBHNNVPAHCICAM-JYJNAYRXSA-N 1 3 391.582 0.276 20 0 GCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000664832821 1195451015 /nfs/dbraw/zinc/45/10/15/1195451015.db2.gz MBHNNVPAHCICAM-XHSDSOJGSA-N 1 3 391.582 0.276 20 0 GCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000664832821 1195451016 /nfs/dbraw/zinc/45/10/16/1195451016.db2.gz MBHNNVPAHCICAM-XHSDSOJGSA-N 1 3 391.582 0.276 20 0 GCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000519724748 1195565903 /nfs/dbraw/zinc/56/59/03/1195565903.db2.gz TUPBVBRBLKRIPN-IBGZPJMESA-N 1 3 393.576 0.461 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000550371462 1195646370 /nfs/dbraw/zinc/64/63/70/1195646370.db2.gz AMEAUHICAKDVIM-LJQANCHMSA-N 1 3 393.576 0.602 20 0 GCADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)N1CCN(C)CC1 ZINC000550382367 1195650580 /nfs/dbraw/zinc/65/05/80/1195650580.db2.gz SGMUIWRVAXHCLD-ZWKOTPCHSA-N 1 3 381.565 0.365 20 0 GCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000550383321 1195651486 /nfs/dbraw/zinc/65/14/86/1195651486.db2.gz GMINURIGIKHILR-CEXWTWQISA-N 1 3 393.576 0.460 20 0 GCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000550383321 1195651488 /nfs/dbraw/zinc/65/14/88/1195651488.db2.gz GMINURIGIKHILR-CEXWTWQISA-N 1 3 393.576 0.460 20 0 GCADHO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)N1CCN(C)CC1 ZINC000550383559 1195651739 /nfs/dbraw/zinc/65/17/39/1195651739.db2.gz MIVOLAJOZNYYEU-RBUKOAKNSA-N 1 3 393.576 0.461 20 0 GCADHO CN1CCC(Oc2ccc(NC(=O)C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cn2)CC1 ZINC000427879260 1195886686 /nfs/dbraw/zinc/88/66/86/1195886686.db2.gz BYTRTAANXLFWHR-GASCZTMLSA-N 1 3 387.484 0.513 20 0 GCADHO CN1CCC(Oc2ccc(NC(=O)C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cn2)CC1 ZINC000427879260 1195886688 /nfs/dbraw/zinc/88/66/88/1195886688.db2.gz BYTRTAANXLFWHR-GASCZTMLSA-N 1 3 387.484 0.513 20 0 GCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(CN2CCNC2=O)CC1 ZINC000895666873 1196107201 /nfs/dbraw/zinc/10/72/01/1196107201.db2.gz UEZQDTHFNQSBPM-INIZCTEOSA-N 1 3 382.553 0.705 20 0 GCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(CN2CCNC2=O)CC1 ZINC000895666873 1196107203 /nfs/dbraw/zinc/10/72/03/1196107203.db2.gz UEZQDTHFNQSBPM-INIZCTEOSA-N 1 3 382.553 0.705 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1(C)C ZINC000281934654 1196350018 /nfs/dbraw/zinc/35/00/18/1196350018.db2.gz KDTYUOGGFMYNNZ-UHFFFAOYSA-N 1 3 389.544 0.871 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000444977854 1196534354 /nfs/dbraw/zinc/53/43/54/1196534354.db2.gz USVQNKQBRUQBDY-UHFFFAOYSA-N 1 3 381.565 0.550 20 0 GCADHO CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000445550908 1196579314 /nfs/dbraw/zinc/57/93/14/1196579314.db2.gz QUZASAOJEBIFLD-KRWDZBQOSA-N 1 3 389.544 0.871 20 0 GCADHO C[NH+](C)[C@H](CNC(=O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccccc1 ZINC000429714701 1196692721 /nfs/dbraw/zinc/69/27/21/1196692721.db2.gz HCGKZHPMNBBYSD-OKZBNKHCSA-N 1 3 396.557 0.856 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000525882401 1196720822 /nfs/dbraw/zinc/72/08/22/1196720822.db2.gz DLGKOHDRXKLKGH-KRWDZBQOSA-N 1 3 387.528 0.954 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000525882508 1196720927 /nfs/dbraw/zinc/72/09/27/1196720927.db2.gz AXNVXNHAGXQFHR-UHFFFAOYSA-N 1 3 393.463 0.601 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000526132157 1196744172 /nfs/dbraw/zinc/74/41/72/1196744172.db2.gz MLOCKEDLYSNJOE-UHFFFAOYSA-N 1 3 387.488 0.217 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000526131659 1196744241 /nfs/dbraw/zinc/74/42/41/1196744241.db2.gz QADQDIMMHWBKSK-GOSISDBHSA-N 1 3 392.500 0.745 20 0 GCADHO CNC(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000526131734 1196744339 /nfs/dbraw/zinc/74/43/39/1196744339.db2.gz XQCBLHNLTSHVRH-UHFFFAOYSA-N 1 3 377.489 0.245 20 0 GCADHO COC(=O)c1ccc(F)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000527124298 1196767571 /nfs/dbraw/zinc/76/75/71/1196767571.db2.gz YVCKYFGKTVFJLO-UHFFFAOYSA-N 1 3 382.436 0.503 20 0 GCADHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1NC(C)=O ZINC000527374275 1196784386 /nfs/dbraw/zinc/78/43/86/1196784386.db2.gz DLMVUWWBHFQCFK-UHFFFAOYSA-N 1 3 393.488 0.544 20 0 GCADHO Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1C(=O)N(C)C ZINC000527373772 1196784799 /nfs/dbraw/zinc/78/47/99/1196784799.db2.gz UNQRPHDHOVEPPH-UHFFFAOYSA-N 1 3 391.516 0.587 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528717781 1196881198 /nfs/dbraw/zinc/88/11/98/1196881198.db2.gz FCKRGCULGKMARX-KRWDZBQOSA-N 1 3 387.484 0.939 20 0 GCADHO CN1CCN(CCCCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000531759065 1197095292 /nfs/dbraw/zinc/09/52/92/1197095292.db2.gz DWVWILKWQNLGAM-RBUKOAKNSA-N 1 3 381.565 0.691 20 0 GCADHO CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCN(C)CC1 ZINC000532281217 1197138200 /nfs/dbraw/zinc/13/82/00/1197138200.db2.gz ITLICIGQDIYPKD-SLFFLAALSA-N 1 3 395.592 0.935 20 0 GCADHO C(CN1CCC[C@@H]1CN1CCOCC1)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000173690046 1197178491 /nfs/dbraw/zinc/17/84/91/1197178491.db2.gz SNNNOZHJPTWLLU-NHCUHLMSSA-N 1 3 380.577 0.970 20 0 GCADHO C(CN1CCC[C@@H]1CN1CCOCC1)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000173690046 1197178494 /nfs/dbraw/zinc/17/84/94/1197178494.db2.gz SNNNOZHJPTWLLU-NHCUHLMSSA-N 1 3 380.577 0.970 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CCN1c1cc[nH+]cc1 ZINC000897474836 1197365260 /nfs/dbraw/zinc/36/52/60/1197365260.db2.gz CMJVLLCOWAUFEM-KXBFYZLASA-N 1 3 391.541 0.672 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000132708393 1197381201 /nfs/dbraw/zinc/38/12/01/1197381201.db2.gz VQJQJKVVUPOSRC-HNNXBMFYSA-N 1 3 377.493 0.215 20 0 GCADHO CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CC[N@H+]2CC=CCC2)CC1 ZINC001746135440 1197400737 /nfs/dbraw/zinc/40/07/37/1197400737.db2.gz UCIJPGRLWFLNMH-UHFFFAOYSA-N 1 3 389.548 0.839 20 0 GCADHO CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001746135440 1197400740 /nfs/dbraw/zinc/40/07/40/1197400740.db2.gz UCIJPGRLWFLNMH-UHFFFAOYSA-N 1 3 389.548 0.839 20 0 GCADHO Cc1cccc(N2CCN(CCCNC(=O)C(=O)N3CCC[NH2+]CC3)CC2)c1 ZINC000419517090 1197421199 /nfs/dbraw/zinc/42/11/99/1197421199.db2.gz WJGNDBPHLAWWBV-UHFFFAOYSA-N 1 3 387.528 0.445 20 0 GCADHO CCN1CCN(CCC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261873040 1197516876 /nfs/dbraw/zinc/51/68/76/1197516876.db2.gz OICYGGKGUZHAQH-ROUUACIJSA-N 1 3 379.549 0.121 20 0 GCADHO CN(C)Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000262007197 1197522154 /nfs/dbraw/zinc/52/21/54/1197522154.db2.gz GZDVNQUMFWPFCF-INIZCTEOSA-N 1 3 382.530 0.756 20 0 GCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000672305716 1199197702 /nfs/dbraw/zinc/19/77/02/1199197702.db2.gz APXLLSMANHWFOS-GUDVDZBRSA-N 1 3 392.544 0.471 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)[C@H](C)C1 ZINC000672311217 1199201293 /nfs/dbraw/zinc/20/12/93/1199201293.db2.gz BALXTPFAOIKMOU-QRQLOZEOSA-N 1 3 394.560 0.840 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)[C@H](C)C1 ZINC000672311217 1199201298 /nfs/dbraw/zinc/20/12/98/1199201298.db2.gz BALXTPFAOIKMOU-QRQLOZEOSA-N 1 3 394.560 0.840 20 0 GCADHO CCN1CCN(C[C@@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952939 1199218568 /nfs/dbraw/zinc/21/85/68/1199218568.db2.gz SGFWBGSUMHFOJT-ROUUACIJSA-N 1 3 396.580 0.147 20 0 GCADHO CCN1CCN(C[C@@H](C)CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952939 1199218575 /nfs/dbraw/zinc/21/85/75/1199218575.db2.gz SGFWBGSUMHFOJT-ROUUACIJSA-N 1 3 396.580 0.147 20 0 GCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000672442751 1199234885 /nfs/dbraw/zinc/23/48/85/1199234885.db2.gz BENBFYHAPVOZEQ-MRXNPFEDSA-N 1 3 382.549 0.983 20 0 GCADHO CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672642614 1199302979 /nfs/dbraw/zinc/30/29/79/1199302979.db2.gz PTOYEVIUAZBXNZ-KRWDZBQOSA-N 1 3 379.549 0.071 20 0 GCADHO CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672642614 1199302981 /nfs/dbraw/zinc/30/29/81/1199302981.db2.gz PTOYEVIUAZBXNZ-KRWDZBQOSA-N 1 3 379.549 0.071 20 0 GCADHO C[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)CN1CCN(C)CC1 ZINC000466001447 1199335674 /nfs/dbraw/zinc/33/56/74/1199335674.db2.gz XDXCMHICZPWJDI-ROUUACIJSA-N 1 3 381.565 0.670 20 0 GCADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1=O ZINC000673550177 1199781912 /nfs/dbraw/zinc/78/19/12/1199781912.db2.gz PTQSRXOEEOBVCC-PKOBYXMFSA-N 1 3 382.549 0.792 20 0 GCADHO Cc1ccc(C(C)(C)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC000625465524 1199965470 /nfs/dbraw/zinc/96/54/70/1199965470.db2.gz HGMFBZIZYKLKGE-UHFFFAOYSA-N 1 3 377.533 0.736 20 0 GCADHO COC1CCN(CCNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000674327117 1200221216 /nfs/dbraw/zinc/22/12/16/1200221216.db2.gz LBXCQSKIZYUVHZ-UHFFFAOYSA-N 1 3 381.565 0.955 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000675817657 1200461143 /nfs/dbraw/zinc/46/11/43/1200461143.db2.gz WLDBXGYPDBVENI-ROUUACIJSA-N 1 3 390.594 0.290 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000675817657 1200461154 /nfs/dbraw/zinc/46/11/54/1200461154.db2.gz WLDBXGYPDBVENI-ROUUACIJSA-N 1 3 390.594 0.290 20 0 GCADHO CN(C)C(=O)Cn1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000548737045 1200611679 /nfs/dbraw/zinc/61/16/79/1200611679.db2.gz ARKZVNYYWFWCAU-UHFFFAOYSA-N 1 3 391.520 0.651 20 0 GCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000371269582 1200636346 /nfs/dbraw/zinc/63/63/46/1200636346.db2.gz AXWNUZCYPCYPIT-SFHVURJKSA-N 1 3 398.511 1.116 20 0 GCADHO C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1NCC(=O)N1CCC1 ZINC001082517935 1201336122 /nfs/dbraw/zinc/33/61/22/1201336122.db2.gz PROADQDNDVFTFG-UIXUWTQFSA-N 1 3 392.544 0.402 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(CCN4C(=O)CCC4=O)[C@H]3C2)CC[N@@H+]1C ZINC001084944771 1201503084 /nfs/dbraw/zinc/50/30/84/1201503084.db2.gz MDWZSQLLWSRKRA-XDNAFOTISA-N 1 3 390.528 0.789 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(CCN4C(=O)CCC4=O)[C@H]3C2)CC[N@H+]1C ZINC001084944771 1201503087 /nfs/dbraw/zinc/50/30/87/1201503087.db2.gz MDWZSQLLWSRKRA-XDNAFOTISA-N 1 3 390.528 0.789 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(CCN4C(=O)CCC4=O)[C@H]3C2)CC[N@@H+]1C ZINC001084943781 1201503192 /nfs/dbraw/zinc/50/31/92/1201503192.db2.gz ZTLCJDLYDDKWCM-VQHPVUNQSA-N 1 3 376.501 0.398 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(CCN4C(=O)CCC4=O)[C@H]3C2)CC[N@H+]1C ZINC001084943781 1201503193 /nfs/dbraw/zinc/50/31/93/1201503193.db2.gz ZTLCJDLYDDKWCM-VQHPVUNQSA-N 1 3 376.501 0.398 20 0 GCADHO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000735592360 1201694422 /nfs/dbraw/zinc/69/44/22/1201694422.db2.gz DRKDLSCVCPMQQJ-WMZOPIPTSA-N 1 3 390.484 0.545 20 0 GCADHO C[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)CN1CCN(C)CC1 ZINC000745824675 1201891653 /nfs/dbraw/zinc/89/16/53/1201891653.db2.gz KWZHNQBBKOZOAK-MJGOQNOKSA-N 1 3 381.565 0.813 20 0 GCADHO CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001169472397 1201949859 /nfs/dbraw/zinc/94/98/59/1201949859.db2.gz PVVKPRBXWCQYGN-GOSISDBHSA-N 1 3 395.592 0.804 20 0 GCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001109653874 1202098817 /nfs/dbraw/zinc/09/88/17/1202098817.db2.gz KNQZCVMYQJQGRU-KBXIAJHMSA-N 1 3 381.439 0.990 20 0 GCADHO C[C@@H]1[C@H](C)N(C)CCN1C(=O)COCCOCC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000771392752 1202139631 /nfs/dbraw/zinc/13/96/31/1202139631.db2.gz AIFNHGLSSGPWDB-FZDBZEDMSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1[C@H](C)N(C)CCN1C(=O)COCCOCC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000771392752 1202139632 /nfs/dbraw/zinc/13/96/32/1202139632.db2.gz AIFNHGLSSGPWDB-FZDBZEDMSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1[C@H](C)N(C(=O)COCCOCC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)CCN1C ZINC000771392752 1202139635 /nfs/dbraw/zinc/13/96/35/1202139635.db2.gz AIFNHGLSSGPWDB-FZDBZEDMSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1[C@H](C)N(C(=O)COCCOCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)CCN1C ZINC000771392752 1202139638 /nfs/dbraw/zinc/13/96/38/1202139638.db2.gz AIFNHGLSSGPWDB-FZDBZEDMSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000787910566 1205406974 /nfs/dbraw/zinc/40/69/74/1205406974.db2.gz ONZYQTSVHOUDJC-KZNAEPCWSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000787910566 1205406978 /nfs/dbraw/zinc/40/69/78/1205406978.db2.gz ONZYQTSVHOUDJC-KZNAEPCWSA-N 1 3 380.533 0.594 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccn(-c2ccccc2)n1 ZINC000793659143 1205501696 /nfs/dbraw/zinc/50/16/96/1205501696.db2.gz VWJBWFRTMFFPGO-UHFFFAOYSA-N 1 3 386.500 0.440 20 0 GCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793708617 1205503142 /nfs/dbraw/zinc/50/31/42/1205503142.db2.gz IZGFNAVTFVVUPT-ROUUACIJSA-N 1 3 382.549 0.936 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N1CCCCC1 ZINC000793702059 1205504251 /nfs/dbraw/zinc/50/42/51/1205504251.db2.gz RXPSMYCTYWTJPA-QZTJIDSGSA-N 1 3 379.549 0.215 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)N1CCCCC1 ZINC000793702059 1205504252 /nfs/dbraw/zinc/50/42/52/1205504252.db2.gz RXPSMYCTYWTJPA-QZTJIDSGSA-N 1 3 379.549 0.215 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N1CCCCC1 ZINC000793702065 1205504273 /nfs/dbraw/zinc/50/42/73/1205504273.db2.gz RXPSMYCTYWTJPA-ZWKOTPCHSA-N 1 3 379.549 0.215 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)N1CCCCC1 ZINC000793702065 1205504274 /nfs/dbraw/zinc/50/42/74/1205504274.db2.gz RXPSMYCTYWTJPA-ZWKOTPCHSA-N 1 3 379.549 0.215 20 0 GCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000793909438 1205509185 /nfs/dbraw/zinc/50/91/85/1205509185.db2.gz GYEBFNJRECSVFJ-BRWVUGGUSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000793909438 1205509188 /nfs/dbraw/zinc/50/91/88/1205509188.db2.gz GYEBFNJRECSVFJ-BRWVUGGUSA-N 1 3 380.533 0.593 20 0 GCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000805636054 1205541779 /nfs/dbraw/zinc/54/17/79/1205541779.db2.gz JOAXQZDJCRMBFK-FGTMMUONSA-N 1 3 394.560 0.983 20 0 GCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000805636054 1205541782 /nfs/dbraw/zinc/54/17/82/1205541782.db2.gz JOAXQZDJCRMBFK-FGTMMUONSA-N 1 3 394.560 0.983 20 0 GCADHO COCCCN(C)CCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807456707 1205581906 /nfs/dbraw/zinc/58/19/06/1205581906.db2.gz GHTGLKJTFKCIKC-UHFFFAOYSA-N 1 3 382.549 0.984 20 0 GCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170563561 1205613558 /nfs/dbraw/zinc/61/35/58/1205613558.db2.gz MGGLHNLVAQICMS-YQQAZPJKSA-N 1 3 394.516 0.976 20 0 GCADHO O=C(CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)NCC[NH+]1CCCCCC1 ZINC000814296861 1205689226 /nfs/dbraw/zinc/68/92/26/1205689226.db2.gz MLKJNZSVSCYHJT-DLBZAZTESA-N 1 3 381.521 0.141 20 0 GCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170774673 1205697154 /nfs/dbraw/zinc/69/71/54/1205697154.db2.gz MMYRABWLWJHGRH-NUEKZKHPSA-N 1 3 380.489 0.179 20 0 GCADHO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172110503 1205713131 /nfs/dbraw/zinc/71/31/31/1205713131.db2.gz NSRCIVDFZGKPGQ-SBOZNWLOSA-N 1 3 382.505 0.162 20 0 GCADHO CN1[C@@H]2CCC[C@H]1C[C@@H](N(Cc1cnc3n1CC[NH2+]CC3)S(C)(=O)=O)C2 ZINC001172115041 1205713278 /nfs/dbraw/zinc/71/32/78/1205713278.db2.gz FXWNVVWKYDDJQO-ZSHCYNCHSA-N 1 3 381.546 0.806 20 0 GCADHO COCCC[NH+]1CCC(N2CCC3(CC2)C(=O)N(CCOC)CCN3C)CC1 ZINC001172250712 1205715340 /nfs/dbraw/zinc/71/53/40/1205715340.db2.gz FXGVRXNYVPMJQM-UHFFFAOYSA-N 1 3 396.576 0.742 20 0 GCADHO CCN1CC[C@H](N(C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001173363192 1205719955 /nfs/dbraw/zinc/71/99/55/1205719955.db2.gz JOBNSQROQAIGFH-HHXXYDBFSA-N 1 3 379.480 0.911 20 0 GCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173749972 1205727178 /nfs/dbraw/zinc/72/71/78/1205727178.db2.gz DJAHNQOITLWWSY-ROUUACIJSA-N 1 3 385.516 0.981 20 0 GCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173749972 1205727180 /nfs/dbraw/zinc/72/71/80/1205727180.db2.gz DJAHNQOITLWWSY-ROUUACIJSA-N 1 3 385.516 0.981 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001177875358 1205777764 /nfs/dbraw/zinc/77/77/64/1205777764.db2.gz WPJKLFVEJFLYNA-MUMMTRGTSA-N 1 3 396.532 0.853 20 0 GCADHO CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N(CCCC[NH3+])C(=N)N)=NO2)C1 ZINC001179209805 1205805020 /nfs/dbraw/zinc/80/50/20/1205805020.db2.gz WNRQBWAKBHLGCW-KRWDZBQOSA-N 1 3 382.465 0.603 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(CCOCCNC(C)=O)C[C@H]32)CC[N@@H+]1C ZINC001187971384 1205972682 /nfs/dbraw/zinc/97/26/82/1205972682.db2.gz LFZMMAFAKKRHHI-INDMIFKZSA-N 1 3 380.533 0.402 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(CCOCCNC(C)=O)C[C@H]32)CC[N@H+]1C ZINC001187971384 1205972684 /nfs/dbraw/zinc/97/26/84/1205972684.db2.gz LFZMMAFAKKRHHI-INDMIFKZSA-N 1 3 380.533 0.402 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cccnn2)[C@H](O)OC(C)(C)C)C1 ZINC001188678732 1205989067 /nfs/dbraw/zinc/98/90/67/1205989067.db2.gz AXEHBAWFJVFEEZ-WSLKZVHASA-N 1 3 395.504 0.386 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001189552656 1206009459 /nfs/dbraw/zinc/00/94/59/1206009459.db2.gz VDFJYVVWBSFYHP-VGIVHPTCSA-N 1 3 399.492 0.025 20 0 GCADHO CN1CC[NH+](C2CCN(C3CCN(S(=O)(=O)CCCF)CC3)CC2)CC1 ZINC001189902968 1206022490 /nfs/dbraw/zinc/02/24/90/1206022490.db2.gz YXPDJPAGBZPJDO-UHFFFAOYSA-N 1 3 390.569 0.852 20 0 GCADHO Cn1nnc2c1CCN(c1cc3c(nn1)CCNC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715759 720189250 /nfs/dbraw/zinc/18/92/50/720189250.db2.gz NDRBKHBERSUJND-GOSISDBHSA-N 1 3 398.515 0.467 20 0 GCADHO c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1N1CC[NH2+]CC1 ZINC001164737774 720739985 /nfs/dbraw/zinc/73/99/85/720739985.db2.gz CQNKYZCTCRIWHV-ZWKOTPCHSA-N 1 3 381.484 0.623 20 0 GCADHO Cn1cc(CN2CC[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@H]3C2)cn1 ZINC001164773648 721143777 /nfs/dbraw/zinc/14/37/77/721143777.db2.gz YNLMYXFQKCKTIV-QZTJIDSGSA-N 1 3 382.516 0.578 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825450629 947193339 /nfs/dbraw/zinc/19/33/39/947193339.db2.gz BSHLXEWMYLXNAJ-CQSZACIVSA-N 1 3 390.492 0.580 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825450629 947193347 /nfs/dbraw/zinc/19/33/47/947193347.db2.gz BSHLXEWMYLXNAJ-CQSZACIVSA-N 1 3 390.492 0.580 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574955774 949570525 /nfs/dbraw/zinc/57/05/25/949570525.db2.gz DYYCFABMLCBKGE-YRGRVCCFSA-N 1 3 375.452 0.940 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574955774 949570542 /nfs/dbraw/zinc/57/05/42/949570542.db2.gz DYYCFABMLCBKGE-YRGRVCCFSA-N 1 3 375.452 0.940 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574955774 949570553 /nfs/dbraw/zinc/57/05/53/949570553.db2.gz DYYCFABMLCBKGE-YRGRVCCFSA-N 1 3 375.452 0.940 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574955774 949570568 /nfs/dbraw/zinc/57/05/68/949570568.db2.gz DYYCFABMLCBKGE-YRGRVCCFSA-N 1 3 375.452 0.940 20 0 GCADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575080712 951715079 /nfs/dbraw/zinc/71/50/79/951715079.db2.gz NDCZKKFJZIAWRB-QWHCGFSZSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575080712 951715083 /nfs/dbraw/zinc/71/50/83/951715083.db2.gz NDCZKKFJZIAWRB-QWHCGFSZSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575080712 951715092 /nfs/dbraw/zinc/71/50/92/951715092.db2.gz NDCZKKFJZIAWRB-QWHCGFSZSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575080712 951715099 /nfs/dbraw/zinc/71/50/99/951715099.db2.gz NDCZKKFJZIAWRB-QWHCGFSZSA-N 1 3 375.452 0.894 20 0 GCADHO C[NH+](C)C[C@@H]1CN(c2nc3ncccc3cc2-c2nnn[n-]2)C[C@H]1C[NH+](C)C ZINC001571191665 952946666 /nfs/dbraw/zinc/94/66/66/952946666.db2.gz QDVOAFXTJHKMBC-HUUCEWRRSA-N 1 3 381.488 0.986 20 0 GCADHO C[NH+](C)C[C@@H]1CN(c2nc3ncccc3cc2-c2nn[n-]n2)C[C@H]1C[NH+](C)C ZINC001571191665 952946669 /nfs/dbraw/zinc/94/66/69/952946669.db2.gz QDVOAFXTJHKMBC-HUUCEWRRSA-N 1 3 381.488 0.986 20 0 GCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccc(-c4nnn[n-]4)cc2)C3)C1 ZINC001571191659 952946817 /nfs/dbraw/zinc/94/68/17/952946817.db2.gz QAISUQVHYVAQKH-QGZVFWFLSA-N 1 3 381.484 0.853 20 0 GCADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccc(-c4nnn[n-]4)cc2)C3)C1 ZINC001571191659 952946823 /nfs/dbraw/zinc/94/68/23/952946823.db2.gz QAISUQVHYVAQKH-QGZVFWFLSA-N 1 3 381.484 0.853 20 0 GCADHO C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CC[N@H+](Cc2ccc(-c4nnn[n-]4)cc2)C3)C1 ZINC001571191659 952946826 /nfs/dbraw/zinc/94/68/26/952946826.db2.gz QAISUQVHYVAQKH-QGZVFWFLSA-N 1 3 381.484 0.853 20 0 GCADHO C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CC[N@@H+](Cc2ccc(-c4nnn[n-]4)cc2)C3)C1 ZINC001571191659 952946828 /nfs/dbraw/zinc/94/68/28/952946828.db2.gz QAISUQVHYVAQKH-QGZVFWFLSA-N 1 3 381.484 0.853 20 0 GCADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419881104 530963639 /nfs/dbraw/zinc/96/36/39/530963639.db2.gz LCSGMXIOVJCCKZ-OAHLLOKOSA-N 1 3 397.317 0.817 20 0 GCADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423180389 531017428 /nfs/dbraw/zinc/01/74/28/531017428.db2.gz NKNPWUZSDHMAGD-OAHLLOKOSA-N 1 3 397.317 0.899 20 0 GCADHO C[NH+](C)CCOc1cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccn1 ZINC000359898967 206269011 /nfs/dbraw/zinc/26/90/11/206269011.db2.gz NOCYPYGGODRZEU-QGZVFWFLSA-N 1 3 389.500 0.576 20 0 GCADHO C[NH2+]CCOCCN[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000863543807 641240382 /nfs/dbraw/zinc/24/03/82/641240382.db2.gz ZHLWPXSMEXSPRZ-CYBMUJFWSA-N 1 3 393.531 0.299 20 0 GCADHO C[C@@H](NCCOCCC[NH3+])c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000863548075 641241365 /nfs/dbraw/zinc/24/13/65/641241365.db2.gz URMKMXOTUFECAI-CYBMUJFWSA-N 1 3 393.531 0.428 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000881849359 641659233 /nfs/dbraw/zinc/65/92/33/641659233.db2.gz PCCHOKCATMQHMI-LFVRLGFBSA-N 1 3 383.584 0.154 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000881849359 641659240 /nfs/dbraw/zinc/65/92/40/641659240.db2.gz PCCHOKCATMQHMI-LFVRLGFBSA-N 1 3 383.584 0.154 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000809528630 641709838 /nfs/dbraw/zinc/70/98/38/641709838.db2.gz BWBVIPAAUAYULQ-QLFBSQMISA-N 1 3 388.603 0.434 20 0 GCADHO CN(CCCCCC[N@H+](C)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000247053507 642062325 /nfs/dbraw/zinc/06/23/25/642062325.db2.gz FJCMVBBIXSEQKG-IYBDPMFKSA-N 1 3 380.576 0.785 20 0 GCADHO CN(CCCCCC[N@@H+](C)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000247053507 642062332 /nfs/dbraw/zinc/06/23/32/642062332.db2.gz FJCMVBBIXSEQKG-IYBDPMFKSA-N 1 3 380.576 0.785 20 0 GCADHO CN(CCCCCC[N@H+](C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000247053507 642062340 /nfs/dbraw/zinc/06/23/40/642062340.db2.gz FJCMVBBIXSEQKG-IYBDPMFKSA-N 1 3 380.576 0.785 20 0 GCADHO CN(CCCCCC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000247053507 642062349 /nfs/dbraw/zinc/06/23/49/642062349.db2.gz FJCMVBBIXSEQKG-IYBDPMFKSA-N 1 3 380.576 0.785 20 0 GCADHO C[C@@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CCN ZINC000652354151 1192202971 /nfs/dbraw/zinc/20/29/71/1192202971.db2.gz OGGJUDAFDCRRBQ-CRAIPNDOSA-N 1 3 396.557 0.832 20 0 GCADHO C[C@@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CCN ZINC000652354151 1192202974 /nfs/dbraw/zinc/20/29/74/1192202974.db2.gz OGGJUDAFDCRRBQ-CRAIPNDOSA-N 1 3 396.557 0.832 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000661980360 1192211093 /nfs/dbraw/zinc/21/10/93/1192211093.db2.gz AUROIRUNCWJPKQ-GUDVDZBRSA-N 1 3 380.533 0.917 20 0 GCADHO COCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC000636676512 1192256766 /nfs/dbraw/zinc/25/67/66/1192256766.db2.gz JHRKSUQHXDATOC-OALUTQOASA-N 1 3 388.512 0.522 20 0 GCADHO COCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000636676512 1192256770 /nfs/dbraw/zinc/25/67/70/1192256770.db2.gz JHRKSUQHXDATOC-OALUTQOASA-N 1 3 388.512 0.522 20 0 GCADHO COCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000636676512 1192256772 /nfs/dbraw/zinc/25/67/72/1192256772.db2.gz JHRKSUQHXDATOC-OALUTQOASA-N 1 3 388.512 0.522 20 0 GCADHO COCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC000636676670 1192257575 /nfs/dbraw/zinc/25/75/75/1192257575.db2.gz JHRKSUQHXDATOC-RTBURBONSA-N 1 3 388.512 0.522 20 0 GCADHO COCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000636676670 1192257578 /nfs/dbraw/zinc/25/75/78/1192257578.db2.gz JHRKSUQHXDATOC-RTBURBONSA-N 1 3 388.512 0.522 20 0 GCADHO COCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000636676670 1192257582 /nfs/dbraw/zinc/25/75/82/1192257582.db2.gz JHRKSUQHXDATOC-RTBURBONSA-N 1 3 388.512 0.522 20 0 GCADHO O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652624637 1192257724 /nfs/dbraw/zinc/25/77/24/1192257724.db2.gz MCBWSDFKMKSFKI-INIZCTEOSA-N 1 3 392.525 0.918 20 0 GCADHO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CN(C)CCN3C)C2)cc1 ZINC000636702840 1192272353 /nfs/dbraw/zinc/27/23/53/1192272353.db2.gz ZUBPGDSTGAIDTN-OALUTQOASA-N 1 3 387.528 0.048 20 0 GCADHO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CN(C)CCN3C)C2)cc1 ZINC000636702840 1192272355 /nfs/dbraw/zinc/27/23/55/1192272355.db2.gz ZUBPGDSTGAIDTN-OALUTQOASA-N 1 3 387.528 0.048 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cnccc1C(F)(F)F ZINC000663539108 1192378545 /nfs/dbraw/zinc/37/85/45/1192378545.db2.gz ONRMZLJQCKIDKD-UHFFFAOYSA-N 1 3 389.422 0.668 20 0 GCADHO CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCN(C)CC1 ZINC000663562303 1192390797 /nfs/dbraw/zinc/39/07/97/1192390797.db2.gz YULPGQPDXAYSCE-RBUKOAKNSA-N 1 3 381.565 0.811 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000585725333 1192398472 /nfs/dbraw/zinc/39/84/72/1192398472.db2.gz MSTFKHSQVGTDCT-CEXWTWQISA-N 1 3 391.560 0.356 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000585725333 1192398478 /nfs/dbraw/zinc/39/84/78/1192398478.db2.gz MSTFKHSQVGTDCT-CEXWTWQISA-N 1 3 391.560 0.356 20 0 GCADHO C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001719851573 1192427938 /nfs/dbraw/zinc/42/79/38/1192427938.db2.gz ZSCCPKKSBQODHF-IKGGRYGDSA-N 1 3 380.533 0.687 20 0 GCADHO CN(C(=O)NCCCN1CCC[C@H]1C(N)=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000637375549 1192519203 /nfs/dbraw/zinc/51/92/03/1192519203.db2.gz MSMQNINXGTZTLH-ROUUACIJSA-N 1 3 394.564 0.136 20 0 GCADHO CN(C(=O)NCCCN1CCC[C@H]1C(N)=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000637375549 1192519208 /nfs/dbraw/zinc/51/92/08/1192519208.db2.gz MSMQNINXGTZTLH-ROUUACIJSA-N 1 3 394.564 0.136 20 0 GCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000509735510 1192530846 /nfs/dbraw/zinc/53/08/46/1192530846.db2.gz GDMMVFVYGFKGQB-AEFFLSMTSA-N 1 3 380.533 0.546 20 0 GCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000509735510 1192530849 /nfs/dbraw/zinc/53/08/49/1192530849.db2.gz GDMMVFVYGFKGQB-AEFFLSMTSA-N 1 3 380.533 0.546 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623399 1192621403 /nfs/dbraw/zinc/62/14/03/1192621403.db2.gz XCJRKHKYCQGAPV-LSDHHAIUSA-N 1 3 395.470 0.575 20 0 GCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418781358 1192644553 /nfs/dbraw/zinc/64/45/53/1192644553.db2.gz LSWUZEXRRJFQKS-QGZVFWFLSA-N 1 3 375.517 0.511 20 0 GCADHO CN(CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1)Cc1ccccc1 ZINC000418794155 1192645942 /nfs/dbraw/zinc/64/59/42/1192645942.db2.gz QYAIIWRUZJUMII-HXUWFJFHSA-N 1 3 389.544 0.824 20 0 GCADHO CC1CCN([C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000418929360 1192693772 /nfs/dbraw/zinc/69/37/72/1192693772.db2.gz FDCBMUBVHHWMJX-RTBURBONSA-N 1 3 388.512 0.762 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)N(C)Cc1ccccc1 ZINC000418944039 1192696850 /nfs/dbraw/zinc/69/68/50/1192696850.db2.gz JKWUPQQBJRNPOI-QGZVFWFLSA-N 1 3 390.528 0.980 20 0 GCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000237904478 1192770140 /nfs/dbraw/zinc/77/01/40/1192770140.db2.gz RUGXWIRVUFXECX-GOSISDBHSA-N 1 3 387.528 0.512 20 0 GCADHO CN(CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000419098727 1192785727 /nfs/dbraw/zinc/78/57/27/1192785727.db2.gz HGSKJJLCZGVBRI-YOEHRIQHSA-N 1 3 380.439 0.737 20 0 GCADHO CN(CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000419098726 1192785922 /nfs/dbraw/zinc/78/59/22/1192785922.db2.gz HGSKJJLCZGVBRI-WMLDXEAASA-N 1 3 380.439 0.737 20 0 GCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419131562 1192805893 /nfs/dbraw/zinc/80/58/93/1192805893.db2.gz ALFMJVNBUDNZQC-MOPGFXCFSA-N 1 3 388.512 0.734 20 0 GCADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419132082 1192806471 /nfs/dbraw/zinc/80/64/71/1192806471.db2.gz AUTIEKPNBYHNJJ-WIYYLYMNSA-N 1 3 388.512 0.591 20 0 GCADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)C(C)(C)C ZINC000419131844 1192806488 /nfs/dbraw/zinc/80/64/88/1192806488.db2.gz HAFZNYWBPJTKFO-JKSUJKDBSA-N 1 3 393.536 0.383 20 0 GCADHO O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419132935 1192807128 /nfs/dbraw/zinc/80/71/28/1192807128.db2.gz CECWFXRHCWQBLJ-LJQANCHMSA-N 1 3 388.512 0.652 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])N1CCC(C)CC1 ZINC000419162031 1192821036 /nfs/dbraw/zinc/82/10/36/1192821036.db2.gz SWGJZPBXBPYSCU-IAGOWNOFSA-N 1 3 395.548 0.069 20 0 GCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419161877 1192821051 /nfs/dbraw/zinc/82/10/51/1192821051.db2.gz FLYOSSSQSQOQRU-BHIYHBOVSA-N 1 3 388.512 0.650 20 0 GCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419167284 1192823681 /nfs/dbraw/zinc/82/36/81/1192823681.db2.gz QKJRVEMHRKLNBB-MOPGFXCFSA-N 1 3 388.512 0.462 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[NH+]1CCC(C)CC1 ZINC000419156077 1192824929 /nfs/dbraw/zinc/82/49/29/1192824929.db2.gz JDWWCAOQHZNGOY-DOTOQJQBSA-N 1 3 391.520 0.137 20 0 GCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419172297 1192825866 /nfs/dbraw/zinc/82/58/66/1192825866.db2.gz YWVNAYOBWTZETP-RTBURBONSA-N 1 3 390.528 0.883 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419197621 1192831372 /nfs/dbraw/zinc/83/13/72/1192831372.db2.gz BSDKDCSYONUKGZ-RHSMWYFYSA-N 1 3 392.500 0.472 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419198978 1192838542 /nfs/dbraw/zinc/83/85/42/1192838542.db2.gz DDHVVMBLURSULA-WMLDXEAASA-N 1 3 392.500 0.472 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000549798484 1192884352 /nfs/dbraw/zinc/88/43/52/1192884352.db2.gz PONAVSGQWCGSPB-CVEARBPZSA-N 1 3 380.533 0.687 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000549798484 1192884359 /nfs/dbraw/zinc/88/43/59/1192884359.db2.gz PONAVSGQWCGSPB-CVEARBPZSA-N 1 3 380.533 0.687 20 0 GCADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512584410 1192911574 /nfs/dbraw/zinc/91/15/74/1192911574.db2.gz XYJAGVOFZNUGMU-RTBURBONSA-N 1 3 383.581 0.939 20 0 GCADHO C[C@@H]1CN(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H](C)CO1 ZINC000663876665 1192916527 /nfs/dbraw/zinc/91/65/27/1192916527.db2.gz KFXRYRIHJZYZHK-IAGOWNOFSA-N 1 3 381.565 0.953 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(N4CN=NC4=O)CC3)CC2)CC1 ZINC000663876991 1192917724 /nfs/dbraw/zinc/91/77/24/1192917724.db2.gz PXUOWKSWGKJLNT-UHFFFAOYSA-N 1 3 391.520 0.889 20 0 GCADHO CC(C)[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)N1CCN(C)CC1 ZINC000109166232 1184331171 /nfs/dbraw/zinc/33/11/71/1184331171.db2.gz UNHYPDYNKLGBRR-MOPGFXCFSA-N 1 3 383.581 0.650 20 0 GCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419171791 1184572091 /nfs/dbraw/zinc/57/20/91/1184572091.db2.gz YFYYHOPCOBYFFD-CEXWTWQISA-N 1 3 388.512 0.780 20 0 GCADHO Cc1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1NC(=O)CC[NH+](C)C ZINC000275373829 1184638824 /nfs/dbraw/zinc/63/88/24/1184638824.db2.gz BEGYGQPUJJISMD-UHFFFAOYSA-N 1 3 377.489 0.844 20 0 GCADHO O=C(c1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1)N1CCNC(=O)C1 ZINC000655693952 1184781207 /nfs/dbraw/zinc/78/12/07/1184781207.db2.gz BGSPURCTTPVUKW-LJQANCHMSA-N 1 3 386.496 0.602 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000579980256 1184877458 /nfs/dbraw/zinc/87/74/58/1184877458.db2.gz QQJZHQXXRXHUFQ-IRXDYDNUSA-N 1 3 395.548 0.069 20 0 GCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000580172930 1185104454 /nfs/dbraw/zinc/10/44/54/1185104454.db2.gz MQMONIICODGBLH-MOPGFXCFSA-N 1 3 375.517 0.480 20 0 GCADHO O=C(C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000580184558 1185109879 /nfs/dbraw/zinc/10/98/79/1185109879.db2.gz HHDIHEAOYGUJBA-VNTMZGSJSA-N 1 3 382.508 0.787 20 0 GCADHO COCCN1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000580221846 1185121942 /nfs/dbraw/zinc/12/19/42/1185121942.db2.gz RKCDAPSTNKQKCS-IAGOWNOFSA-N 1 3 382.549 0.698 20 0 GCADHO CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000580241388 1185127498 /nfs/dbraw/zinc/12/74/98/1185127498.db2.gz NHUMPBTYPVJICU-LJQANCHMSA-N 1 3 390.528 0.804 20 0 GCADHO CN1CCN(CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000580308083 1185148531 /nfs/dbraw/zinc/14/85/31/1185148531.db2.gz SBPBCZLWUZQZDR-OALUTQOASA-N 1 3 387.528 0.350 20 0 GCADHO CN1CCN(CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000580308084 1185148633 /nfs/dbraw/zinc/14/86/33/1185148633.db2.gz SBPBCZLWUZQZDR-RBUKOAKNSA-N 1 3 387.528 0.350 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000275818903 1185149899 /nfs/dbraw/zinc/14/98/99/1185149899.db2.gz FJRMVVWCNDEHOG-QGZVFWFLSA-N 1 3 389.500 0.599 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000275818903 1185149902 /nfs/dbraw/zinc/14/99/02/1185149902.db2.gz FJRMVVWCNDEHOG-QGZVFWFLSA-N 1 3 389.500 0.599 20 0 GCADHO CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000580966298 1185451668 /nfs/dbraw/zinc/45/16/68/1185451668.db2.gz PRSSWDVGDXPLRJ-IBGZPJMESA-N 1 3 393.576 0.604 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000581240983 1185550348 /nfs/dbraw/zinc/55/03/48/1185550348.db2.gz NPDQQTLKGQSSHM-RBUKOAKNSA-N 1 3 387.528 0.938 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cncnc1OC ZINC000276084300 1185556828 /nfs/dbraw/zinc/55/68/28/1185556828.db2.gz USXGDOYHZIFSDL-CQSZACIVSA-N 1 3 378.477 0.298 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cncnc1OC ZINC000276084300 1185556831 /nfs/dbraw/zinc/55/68/31/1185556831.db2.gz USXGDOYHZIFSDL-CQSZACIVSA-N 1 3 378.477 0.298 20 0 GCADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000581261339 1185560984 /nfs/dbraw/zinc/56/09/84/1185560984.db2.gz KBIXXUKOBXASCT-OTWHNJEPSA-N 1 3 387.528 0.893 20 0 GCADHO CC(C)[C@@](C)(CN)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000430576151 1185631309 /nfs/dbraw/zinc/63/13/09/1185631309.db2.gz VYMUDYCOJMVOMD-GOSISDBHSA-N 1 3 398.529 0.609 20 0 GCADHO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430598345 1185677316 /nfs/dbraw/zinc/67/73/16/1185677316.db2.gz CTROUHJSVSBUIS-MSOLQXFVSA-N 1 3 387.528 0.511 20 0 GCADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1F ZINC000430606006 1185700207 /nfs/dbraw/zinc/70/02/07/1185700207.db2.gz VEVDTSRTINSEKG-GOEBONIOSA-N 1 3 394.491 0.968 20 0 GCADHO CN(CCN1CCCC1)C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000581562351 1185763559 /nfs/dbraw/zinc/76/35/59/1185763559.db2.gz JIFRXBJSESQGKJ-UHFFFAOYSA-N 1 3 376.501 0.797 20 0 GCADHO COc1ccc(C[N@H+]2CCCN(C(=O)CN[C@@H]3COC[C@H]3OC)CC2)cc1 ZINC000581605939 1185784127 /nfs/dbraw/zinc/78/41/27/1185784127.db2.gz ICUCLTZMPPPFPT-RTBURBONSA-N 1 3 377.485 0.733 20 0 GCADHO COc1ccc(C[N@@H+]2CCCN(C(=O)CN[C@@H]3COC[C@H]3OC)CC2)cc1 ZINC000581605939 1185784133 /nfs/dbraw/zinc/78/41/33/1185784133.db2.gz ICUCLTZMPPPFPT-RTBURBONSA-N 1 3 377.485 0.733 20 0 GCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCc4sc(CN)nc4C3)C2)CC1 ZINC000891560907 1185919378 /nfs/dbraw/zinc/91/93/78/1185919378.db2.gz SVLNMWVCAYJAKX-ZDUSSCGKSA-N 1 3 378.546 0.838 20 0 GCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCc4sc(CN)nc4C3)C2)CC1 ZINC000891560907 1185919382 /nfs/dbraw/zinc/91/93/82/1185919382.db2.gz SVLNMWVCAYJAKX-ZDUSSCGKSA-N 1 3 378.546 0.838 20 0 GCADHO Cc1c(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)nnn1C1CC[NH2+]CC1 ZINC000430873754 1186044796 /nfs/dbraw/zinc/04/47/96/1186044796.db2.gz WODYUYRGPKHAED-INIZCTEOSA-N 1 3 391.520 0.184 20 0 GCADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000430936701 1186057266 /nfs/dbraw/zinc/05/72/66/1186057266.db2.gz WACFUWXEKPXOGD-INIZCTEOSA-N 1 3 394.541 0.579 20 0 GCADHO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431028453 1186107060 /nfs/dbraw/zinc/10/70/60/1186107060.db2.gz QUFLNCYOUMTXLQ-HNNXBMFYSA-N 1 3 394.541 0.457 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1 ZINC000151342854 1186286840 /nfs/dbraw/zinc/28/68/40/1186286840.db2.gz NTNHOTRQMRDWMK-QZTJIDSGSA-N 1 3 377.533 0.998 20 0 GCADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000582017265 1186372644 /nfs/dbraw/zinc/37/26/44/1186372644.db2.gz ISYKSDBHISFYKB-SFHVURJKSA-N 1 3 395.592 0.757 20 0 GCADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000582017265 1186372648 /nfs/dbraw/zinc/37/26/48/1186372648.db2.gz ISYKSDBHISFYKB-SFHVURJKSA-N 1 3 395.592 0.757 20 0 GCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000582256240 1186476876 /nfs/dbraw/zinc/47/68/76/1186476876.db2.gz KCKFZCPLHZQPTQ-RBUKOAKNSA-N 1 3 395.592 0.613 20 0 GCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000582256240 1186476877 /nfs/dbraw/zinc/47/68/77/1186476877.db2.gz KCKFZCPLHZQPTQ-RBUKOAKNSA-N 1 3 395.592 0.613 20 0 GCADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCC1 ZINC000582252537 1186478163 /nfs/dbraw/zinc/47/81/63/1186478163.db2.gz KFBVXPMNEPSPKQ-QZTJIDSGSA-N 1 3 385.512 0.995 20 0 GCADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCC1 ZINC000582252537 1186478166 /nfs/dbraw/zinc/47/81/66/1186478166.db2.gz KFBVXPMNEPSPKQ-QZTJIDSGSA-N 1 3 385.512 0.995 20 0 GCADHO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000582360840 1186503603 /nfs/dbraw/zinc/50/36/03/1186503603.db2.gz UGINYCKWRGDATH-IAGOWNOFSA-N 1 3 394.541 0.314 20 0 GCADHO CN(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)Cc1ccccc1 ZINC000125160097 1186544926 /nfs/dbraw/zinc/54/49/26/1186544926.db2.gz UNAQQCTWNOZATK-SFHVURJKSA-N 1 3 386.500 0.672 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@H](CC(=O)OC)C3)CC2)CC1 ZINC000563384029 1186559522 /nfs/dbraw/zinc/55/95/22/1186559522.db2.gz RXXGQDDGHDUMRL-GOSISDBHSA-N 1 3 381.517 0.973 20 0 GCADHO C[C@@H](CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)CN1CCN(C)CC1 ZINC000074656102 1186626057 /nfs/dbraw/zinc/62/60/57/1186626057.db2.gz XGPXVQPVCNSTEV-RBUKOAKNSA-N 1 3 380.581 0.291 20 0 GCADHO C[C@@H](CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)CN1CCN(C)CC1 ZINC000074656102 1186626061 /nfs/dbraw/zinc/62/60/61/1186626061.db2.gz XGPXVQPVCNSTEV-RBUKOAKNSA-N 1 3 380.581 0.291 20 0 GCADHO C[C@@H](CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)CN1CCN(C)CC1 ZINC000074656110 1186626356 /nfs/dbraw/zinc/62/63/56/1186626356.db2.gz XGPXVQPVCNSTEV-OALUTQOASA-N 1 3 380.581 0.291 20 0 GCADHO C[C@@H](CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)CN1CCN(C)CC1 ZINC000074656110 1186626359 /nfs/dbraw/zinc/62/63/59/1186626359.db2.gz XGPXVQPVCNSTEV-OALUTQOASA-N 1 3 380.581 0.291 20 0 GCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CCCO1 ZINC000582986290 1186742087 /nfs/dbraw/zinc/74/20/87/1186742087.db2.gz OITMGISARJBNGY-KRWDZBQOSA-N 1 3 382.549 0.936 20 0 GCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CCCO1 ZINC000582986290 1186742089 /nfs/dbraw/zinc/74/20/89/1186742089.db2.gz OITMGISARJBNGY-KRWDZBQOSA-N 1 3 382.549 0.936 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c(C)ccn(C)c1=O ZINC000124590317 1186798954 /nfs/dbraw/zinc/79/89/54/1186798954.db2.gz OTDAKDYULOXHOT-MRXNPFEDSA-N 1 3 391.516 0.507 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c(C)ccn(C)c1=O ZINC000124590317 1186798957 /nfs/dbraw/zinc/79/89/57/1186798957.db2.gz OTDAKDYULOXHOT-MRXNPFEDSA-N 1 3 391.516 0.507 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)C[C@@H](C)O1 ZINC000583558918 1186885828 /nfs/dbraw/zinc/88/58/28/1186885828.db2.gz VYGYQWBUYPBFTQ-RWQQGDIJSA-N 1 3 392.544 0.545 20 0 GCADHO CN1CCN(C)[C@H](CNC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000583621688 1186902383 /nfs/dbraw/zinc/90/23/83/1186902383.db2.gz VWDUMCHJLRBYJR-IAGOWNOFSA-N 1 3 395.935 0.421 20 0 GCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000583778183 1186937120 /nfs/dbraw/zinc/93/71/20/1186937120.db2.gz GIQUVWUSUZAREV-VQIMIIECSA-N 1 3 391.560 0.071 20 0 GCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000583778181 1186937463 /nfs/dbraw/zinc/93/74/63/1186937463.db2.gz GIQUVWUSUZAREV-LPHOPBHVSA-N 1 3 391.560 0.071 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)C[C@@H](C)O1 ZINC000584107296 1187000053 /nfs/dbraw/zinc/00/00/53/1187000053.db2.gz GSKJEFXXPNMWHW-RWQQGDIJSA-N 1 3 392.544 0.545 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CCSC1 ZINC000584365056 1187041215 /nfs/dbraw/zinc/04/12/15/1187041215.db2.gz FBVHUEKTZURODQ-SFHVURJKSA-N 1 3 386.562 0.109 20 0 GCADHO C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N1CCC[C@H](C)C1 ZINC000375748618 1187058890 /nfs/dbraw/zinc/05/88/90/1187058890.db2.gz IPLWKQYLPCLQHN-JKSUJKDBSA-N 1 3 390.532 1.325 20 0 GCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000128183692 1187063898 /nfs/dbraw/zinc/06/38/98/1187063898.db2.gz ANGWGJOBXQDMQL-UHFFFAOYSA-N 1 3 376.461 0.567 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)CC2)CC1 ZINC000138873962 1187078543 /nfs/dbraw/zinc/07/85/43/1187078543.db2.gz HZMBBAUVWAKLCB-HDICACEKSA-N 1 3 388.512 0.612 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000685519784 1187141576 /nfs/dbraw/zinc/14/15/76/1187141576.db2.gz SGLQXCHJEYDREJ-SFHVURJKSA-N 1 3 380.533 0.546 20 0 GCADHO [NH3+][C@H](CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)Cc1ccccc1 ZINC000892400515 1187150668 /nfs/dbraw/zinc/15/06/68/1187150668.db2.gz SNKYFYHCIKAUDJ-LJQANCHMSA-N 1 3 387.528 0.896 20 0 GCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000612221985 1187410670 /nfs/dbraw/zinc/41/06/70/1187410670.db2.gz XVRUUOXOOXOLBJ-IBGZPJMESA-N 1 3 387.528 0.962 20 0 GCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000612484973 1187505447 /nfs/dbraw/zinc/50/54/47/1187505447.db2.gz JULIZUAPLNIAAF-MOPGFXCFSA-N 1 3 393.576 0.461 20 0 GCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000612484973 1187505450 /nfs/dbraw/zinc/50/54/50/1187505450.db2.gz JULIZUAPLNIAAF-MOPGFXCFSA-N 1 3 393.576 0.461 20 0 GCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000612548658 1187521274 /nfs/dbraw/zinc/52/12/74/1187521274.db2.gz PLBHYDAWUCYMMH-QRVBRYPASA-N 1 3 393.576 0.604 20 0 GCADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612597771 1187535508 /nfs/dbraw/zinc/53/55/08/1187535508.db2.gz NAGZHZCTBZKZHI-CGTJXYLNSA-N 1 3 378.517 0.299 20 0 GCADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612597771 1187535510 /nfs/dbraw/zinc/53/55/10/1187535510.db2.gz NAGZHZCTBZKZHI-CGTJXYLNSA-N 1 3 378.517 0.299 20 0 GCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000612595930 1187536216 /nfs/dbraw/zinc/53/62/16/1187536216.db2.gz LKVLNDFBYUSHNW-AEFFLSMTSA-N 1 3 378.517 0.300 20 0 GCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612596423 1187536572 /nfs/dbraw/zinc/53/65/72/1187536572.db2.gz OZFOXWVJCUCZHU-QGZVFWFLSA-N 1 3 392.500 0.539 20 0 GCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612596724 1187537403 /nfs/dbraw/zinc/53/74/03/1187537403.db2.gz SJKGQPKZACHCGX-WMZOPIPTSA-N 1 3 380.533 0.546 20 0 GCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612596724 1187537405 /nfs/dbraw/zinc/53/74/05/1187537405.db2.gz SJKGQPKZACHCGX-WMZOPIPTSA-N 1 3 380.533 0.546 20 0 GCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC3CCN([C@H]4CCOC4)CC3)C2)CC1 ZINC000612598157 1187538834 /nfs/dbraw/zinc/53/88/34/1187538834.db2.gz SFLCVVSFTGYAEG-MJGOQNOKSA-N 1 3 392.544 0.546 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000612600695 1187540361 /nfs/dbraw/zinc/54/03/61/1187540361.db2.gz KVKQQQNGQHHTSH-GOSISDBHSA-N 1 3 387.484 0.100 20 0 GCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000612601650 1187540369 /nfs/dbraw/zinc/54/03/69/1187540369.db2.gz SDPXRWRCPAYITG-SFHVURJKSA-N 1 3 380.533 0.546 20 0 GCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612604692 1187540930 /nfs/dbraw/zinc/54/09/30/1187540930.db2.gz UGXICAIJLLNIDP-KRWDZBQOSA-N 1 3 380.533 0.689 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)C2)CC1 ZINC000570234552 1187551666 /nfs/dbraw/zinc/55/16/66/1187551666.db2.gz ZFKSUYBHVSZCDP-SJLPKXTDSA-N 1 3 379.549 0.212 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)C2)CC1 ZINC000570234552 1187551669 /nfs/dbraw/zinc/55/16/69/1187551669.db2.gz ZFKSUYBHVSZCDP-SJLPKXTDSA-N 1 3 379.549 0.212 20 0 GCADHO CC(=O)c1cn(C2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)nn1 ZINC000892521953 1187664886 /nfs/dbraw/zinc/66/48/86/1187664886.db2.gz KPAPGOSGZOSERD-UHFFFAOYSA-N 1 3 389.504 0.606 20 0 GCADHO Cn1[nH]c(=O)c2c1CN(C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC000892522291 1187666143 /nfs/dbraw/zinc/66/61/43/1187666143.db2.gz WJFHKLMUNMNCCU-UHFFFAOYSA-N 1 3 376.505 0.752 20 0 GCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000659110883 1187885260 /nfs/dbraw/zinc/88/52/60/1187885260.db2.gz DKXNCNBQPDFWLY-YOEHRIQHSA-N 1 3 389.500 0.515 20 0 GCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000647597065 1187906933 /nfs/dbraw/zinc/90/69/33/1187906933.db2.gz IUZFUXFEFVQZNV-HOTGVXAUSA-N 1 3 375.517 0.789 20 0 GCADHO CN(C(=O)c1ccc(NC(=O)c2cn(CC[NH3+])nn2)cc1)[C@@H]1CCCN(C)C1 ZINC000659287827 1187924923 /nfs/dbraw/zinc/92/49/23/1187924923.db2.gz UUDCICGRKJIQSY-MRXNPFEDSA-N 1 3 385.472 0.655 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000642960068 1187951437 /nfs/dbraw/zinc/95/14/37/1187951437.db2.gz ZPFXGPLOIINGBY-JQHSSLGASA-N 1 3 388.512 0.949 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000642960068 1187951441 /nfs/dbraw/zinc/95/14/41/1187951441.db2.gz ZPFXGPLOIINGBY-JQHSSLGASA-N 1 3 388.512 0.949 20 0 GCADHO COC1CC[NH+](C2(CNC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CCCC2)CC1 ZINC000659451534 1187961043 /nfs/dbraw/zinc/96/10/43/1187961043.db2.gz GQEHVMOHWHZSPO-UHFFFAOYSA-N 1 3 392.504 0.864 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000659680672 1187993316 /nfs/dbraw/zinc/99/33/16/1187993316.db2.gz JBFVCSOIWZSBLF-UHFFFAOYSA-N 1 3 398.467 0.169 20 0 GCADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659680783 1187993908 /nfs/dbraw/zinc/99/39/08/1187993908.db2.gz KVQVOSJAFVLPFD-CHWSQXEVSA-N 1 3 392.504 0.130 20 0 GCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000659688205 1187998314 /nfs/dbraw/zinc/99/83/14/1187998314.db2.gz UYCSQMLOWJOMBW-KRWDZBQOSA-N 1 3 376.501 0.589 20 0 GCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659698793 1188004053 /nfs/dbraw/zinc/00/40/53/1188004053.db2.gz MKMJMVBFVFASLR-CYBMUJFWSA-N 1 3 378.477 0.028 20 0 GCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659698793 1188004058 /nfs/dbraw/zinc/00/40/58/1188004058.db2.gz MKMJMVBFVFASLR-CYBMUJFWSA-N 1 3 378.477 0.028 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCSC1 ZINC000659702082 1188005007 /nfs/dbraw/zinc/00/50/07/1188005007.db2.gz NXNDHRICNHDCPT-APWZRJJASA-N 1 3 382.574 0.778 20 0 GCADHO CC1(CNC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[NH2+]CC1 ZINC000659722116 1188009153 /nfs/dbraw/zinc/00/91/53/1188009153.db2.gz FDDOHLVFIQZGHG-UHFFFAOYSA-N 1 3 387.528 0.916 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc2)CC1 ZINC000415468711 1188087841 /nfs/dbraw/zinc/08/78/41/1188087841.db2.gz WRIDMMIYKZPXSG-SFHVURJKSA-N 1 3 375.517 0.862 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC000415582880 1188113089 /nfs/dbraw/zinc/11/30/89/1188113089.db2.gz VDDICZBAZBYIHJ-WMZOPIPTSA-N 1 3 387.528 0.958 20 0 GCADHO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C[C@H]1C[NH3+] ZINC000415845955 1189379493 /nfs/dbraw/zinc/37/94/93/1189379493.db2.gz KIUZIWXCIGOONP-LSDHHAIUSA-N 1 3 389.500 0.936 20 0 GCADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415862907 1189385740 /nfs/dbraw/zinc/38/57/40/1189385740.db2.gz KZRPTQGOISMJBB-OAHLLOKOSA-N 1 3 378.473 0.450 20 0 GCADHO CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000363837292 1189515188 /nfs/dbraw/zinc/51/51/88/1189515188.db2.gz XABWKKFNLLLTGT-OALUTQOASA-N 1 3 381.565 0.955 20 0 GCADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000511571525 1189559328 /nfs/dbraw/zinc/55/93/28/1189559328.db2.gz HCQAYJJWTXTCDH-HKUYNNGSSA-N 1 3 390.528 0.660 20 0 GCADHO CN1CCN(CCCNC(=O)NC[C@@H]2C[NH2+]CCN2C)[C@@H](c2ccccc2)C1 ZINC000417022151 1189608720 /nfs/dbraw/zinc/60/87/20/1189608720.db2.gz NXFPCMVIBZQFTN-VQTJNVASSA-N 1 3 388.560 0.568 20 0 GCADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000417153674 1189624667 /nfs/dbraw/zinc/62/46/67/1189624667.db2.gz PCHYBEFDCMEEAE-LJQANCHMSA-N 1 3 375.517 0.876 20 0 GCADHO C[C@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCCO1 ZINC000364331910 1189751585 /nfs/dbraw/zinc/75/15/85/1189751585.db2.gz MVFVDFAGNHWICO-ZWKOTPCHSA-N 1 3 395.548 0.435 20 0 GCADHO C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCCO1 ZINC000364331910 1189751588 /nfs/dbraw/zinc/75/15/88/1189751588.db2.gz MVFVDFAGNHWICO-ZWKOTPCHSA-N 1 3 395.548 0.435 20 0 GCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660583416 1189910181 /nfs/dbraw/zinc/91/01/81/1189910181.db2.gz BTFWUORHGFSJQX-WBVHZDCISA-N 1 3 381.521 0.126 20 0 GCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660583416 1189910183 /nfs/dbraw/zinc/91/01/83/1189910183.db2.gz BTFWUORHGFSJQX-WBVHZDCISA-N 1 3 381.521 0.126 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660852696 1189957451 /nfs/dbraw/zinc/95/74/51/1189957451.db2.gz FVALSLIGIHJREH-QZTJIDSGSA-N 1 3 395.548 0.482 20 0 GCADHO CN1CCN(c2ccncc2NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662756070 1190019838 /nfs/dbraw/zinc/01/98/38/1190019838.db2.gz HIUNWMYNQIFVOU-OAHLLOKOSA-N 1 3 384.488 0.992 20 0 GCADHO CN1CCN(CCCNC(=O)NC[C@](C)(O)C[NH+](C)C)[C@H](c2ccccc2)C1 ZINC000246500033 1193722053 /nfs/dbraw/zinc/72/20/53/1193722053.db2.gz HMNGMIABUJKYCD-FPOVZHCZSA-N 1 3 391.560 0.977 20 0 GCADHO CC(C)(CNC(=O)NCCCCN1CCN(CCO)CC1)[NH+]1CCCCC1 ZINC000512676908 1193732321 /nfs/dbraw/zinc/73/23/21/1193732321.db2.gz GLSIODHMJLWQPU-UHFFFAOYSA-N 1 3 383.581 0.940 20 0 GCADHO CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000433097835 1193750517 /nfs/dbraw/zinc/75/05/17/1193750517.db2.gz PRJVPCQBCNSTLD-UHFFFAOYSA-N 1 3 396.557 0.923 20 0 GCADHO C[C@@H](NC(=O)C(=O)N1CCNCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419303777 1193797109 /nfs/dbraw/zinc/79/71/09/1193797109.db2.gz SOUOFIUBOILRJS-CQSZACIVSA-N 1 3 377.464 0.187 20 0 GCADHO Cc1nccn1CCNC(=O)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000419305821 1193800049 /nfs/dbraw/zinc/80/00/49/1193800049.db2.gz XJVCZQJXVXJRGC-UHFFFAOYSA-N 1 3 398.511 0.417 20 0 GCADHO CN(C(=O)NC[C@H]1CNCCO1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000333138446 1193817710 /nfs/dbraw/zinc/81/77/10/1193817710.db2.gz BZBCTXOVISKYOX-QRVBRYPASA-N 1 3 381.565 0.953 20 0 GCADHO CN(C(=O)NC[C@H]1CNCCO1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000333138446 1193817712 /nfs/dbraw/zinc/81/77/12/1193817712.db2.gz BZBCTXOVISKYOX-QRVBRYPASA-N 1 3 381.565 0.953 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000419326435 1193819983 /nfs/dbraw/zinc/81/99/83/1193819983.db2.gz CHLIJERCQLLYSX-UXHICEINSA-N 1 3 399.539 0.261 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000419336419 1193829876 /nfs/dbraw/zinc/82/98/76/1193829876.db2.gz KHXYJCJUFRVSTA-IBGZPJMESA-N 1 3 387.528 0.294 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000419342340 1193834734 /nfs/dbraw/zinc/83/47/34/1193834734.db2.gz PCSWTHIAPGZCGC-IBGZPJMESA-N 1 3 387.528 0.390 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)cc2)CC1 ZINC000419341658 1193835706 /nfs/dbraw/zinc/83/57/06/1193835706.db2.gz OMWBPDYNUUYCQS-LJQANCHMSA-N 1 3 387.528 0.294 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000419346691 1193841178 /nfs/dbraw/zinc/84/11/78/1193841178.db2.gz VSNABJNCAMBVMT-INIZCTEOSA-N 1 3 375.517 0.246 20 0 GCADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CCCNCC1 ZINC000419347693 1193842682 /nfs/dbraw/zinc/84/26/82/1193842682.db2.gz XEFWSTDZRBYAQE-UHFFFAOYSA-N 1 3 376.501 0.845 20 0 GCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)Cc2ccccc2C1 ZINC000419373019 1193876166 /nfs/dbraw/zinc/87/61/66/1193876166.db2.gz LWZZTNQNNAWRPV-GBESFXJTSA-N 1 3 384.524 0.788 20 0 GCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)Cc2ccccc2C1 ZINC000419375077 1193878222 /nfs/dbraw/zinc/87/82/22/1193878222.db2.gz PYBCEZXOULWDQV-GBESFXJTSA-N 1 3 384.524 0.706 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000664174763 1193946117 /nfs/dbraw/zinc/94/61/17/1193946117.db2.gz USRFRTRIFONNGH-MRXNPFEDSA-N 1 3 383.537 0.149 20 0 GCADHO Cc1ccn(C[C@](C)(O)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(=O)c1 ZINC000280373043 1193989845 /nfs/dbraw/zinc/98/98/45/1193989845.db2.gz CWDHKXSLHVMFQO-NRFANRHFSA-N 1 3 390.528 0.583 20 0 GCADHO Cc1ccn(C[C@@](C)(O)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(=O)c1 ZINC000280373047 1193989954 /nfs/dbraw/zinc/98/99/54/1193989954.db2.gz CWDHKXSLHVMFQO-OAQYLSRUSA-N 1 3 390.528 0.583 20 0 GCADHO CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419399070 1194019344 /nfs/dbraw/zinc/01/93/44/1194019344.db2.gz IWAWUOJPQVAZNU-QZTJIDSGSA-N 1 3 388.512 0.780 20 0 GCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000419402273 1194020460 /nfs/dbraw/zinc/02/04/60/1194020460.db2.gz CBKPLFXETVIFEK-BPQIPLTHSA-N 1 3 380.533 0.579 20 0 GCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000419419708 1194022651 /nfs/dbraw/zinc/02/26/51/1194022651.db2.gz MIEQBBOHUGZSNO-IBGZPJMESA-N 1 3 387.528 0.260 20 0 GCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419420207 1194023253 /nfs/dbraw/zinc/02/32/53/1194023253.db2.gz MOXGCKACFVOWOS-LJQANCHMSA-N 1 3 387.528 0.260 20 0 GCADHO CC[NH2+]CCNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419424308 1194025498 /nfs/dbraw/zinc/02/54/98/1194025498.db2.gz SXZLQDHJKYJHBY-SFHVURJKSA-N 1 3 375.517 0.207 20 0 GCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419424736 1194025717 /nfs/dbraw/zinc/02/57/17/1194025717.db2.gz ULIYLQRPFATYMW-AEFFLSMTSA-N 1 3 375.517 0.335 20 0 GCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419425120 1194026257 /nfs/dbraw/zinc/02/62/57/1194026257.db2.gz VAUWZKIVANLEHM-QGZVFWFLSA-N 1 3 375.517 0.116 20 0 GCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419427140 1194027647 /nfs/dbraw/zinc/02/76/47/1194027647.db2.gz YOICSTYSWLJREV-FUHWJXTLSA-N 1 3 375.517 0.192 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419410910 1194029201 /nfs/dbraw/zinc/02/92/01/1194029201.db2.gz AVOGBQYZECEJAG-IEBWSBKVSA-N 1 3 387.528 0.289 20 0 GCADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419411246 1194029328 /nfs/dbraw/zinc/02/93/28/1194029328.db2.gz BIOQBQGHTKFNQM-SFHVURJKSA-N 1 3 390.528 0.355 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419410912 1194030025 /nfs/dbraw/zinc/03/00/25/1194030025.db2.gz AVOGBQYZECEJAG-PKOBYXMFSA-N 1 3 387.528 0.289 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2CCC([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000419415283 1194031809 /nfs/dbraw/zinc/03/18/09/1194031809.db2.gz HQCUEXAOKKAUKD-LJQANCHMSA-N 1 3 387.528 0.431 20 0 GCADHO [NH3+]C1CCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000419415274 1194031846 /nfs/dbraw/zinc/03/18/46/1194031846.db2.gz HPEPYRUZXIVECU-UHFFFAOYSA-N 1 3 387.528 0.260 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H](c2ccccc2)C1 ZINC000419417421 1194032286 /nfs/dbraw/zinc/03/22/86/1194032286.db2.gz KCNNJUGSRCIEMI-HSALFYBXSA-N 1 3 399.539 0.302 20 0 GCADHO COCCN(C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000419503266 1194046874 /nfs/dbraw/zinc/04/68/74/1194046874.db2.gz CWLGWEDCSODCGK-QGZVFWFLSA-N 1 3 392.500 0.210 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419507175 1194047799 /nfs/dbraw/zinc/04/77/99/1194047799.db2.gz OCUIHRBXHGWOPX-SZMVWBNQSA-N 1 3 388.512 0.854 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419507175 1194047804 /nfs/dbraw/zinc/04/78/04/1194047804.db2.gz OCUIHRBXHGWOPX-SZMVWBNQSA-N 1 3 388.512 0.854 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCSC1 ZINC000419592827 1194067278 /nfs/dbraw/zinc/06/72/78/1194067278.db2.gz XIPJOEQOTSLICE-MDZRGWNJSA-N 1 3 382.574 0.921 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419594720 1194068006 /nfs/dbraw/zinc/06/80/06/1194068006.db2.gz UYPWPQDQIQHJJZ-RCCFBDPRSA-N 1 3 380.533 0.722 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000419708203 1194083852 /nfs/dbraw/zinc/08/38/52/1194083852.db2.gz GYKWOPSPSSYJEX-WMLDXEAASA-N 1 3 376.501 0.636 20 0 GCADHO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000419689666 1194085251 /nfs/dbraw/zinc/08/52/51/1194085251.db2.gz JKIIOXZQWBDMAD-LJQANCHMSA-N 1 3 387.528 0.260 20 0 GCADHO O=C(NCCCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419693929 1194086037 /nfs/dbraw/zinc/08/60/37/1194086037.db2.gz OMOAEPKJMBEEBF-IBGZPJMESA-N 1 3 387.528 0.179 20 0 GCADHO CS[C@@H](C)CNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419773693 1194102904 /nfs/dbraw/zinc/10/29/04/1194102904.db2.gz ZZCXAYAWEMGVOP-HNNXBMFYSA-N 1 3 378.542 0.964 20 0 GCADHO NC1(CNC(=O)C(=O)NCCOCC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000419775205 1194103632 /nfs/dbraw/zinc/10/36/32/1194103632.db2.gz KREVAXVVDXBPFW-UHFFFAOYSA-N 1 3 398.454 0.494 20 0 GCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCCCC1 ZINC000419827377 1194111623 /nfs/dbraw/zinc/11/16/23/1194111623.db2.gz SXSYMTHIGDZWSE-MRXNPFEDSA-N 1 3 391.520 0.281 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000419836796 1194117728 /nfs/dbraw/zinc/11/77/28/1194117728.db2.gz CFGJWBCGEJEHQL-LJQANCHMSA-N 1 3 387.528 0.131 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419858417 1194122949 /nfs/dbraw/zinc/12/29/49/1194122949.db2.gz LUBLFODBAROKRI-HNNXBMFYSA-N 1 3 382.455 0.971 20 0 GCADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419858152 1194123152 /nfs/dbraw/zinc/12/31/52/1194123152.db2.gz WBHCBQMZTNNNAW-UHFFFAOYSA-N 1 3 393.576 0.560 20 0 GCADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000419874175 1194129029 /nfs/dbraw/zinc/12/90/29/1194129029.db2.gz NHBVIPZOJSFBBN-NZSAHSFTSA-N 1 3 386.496 0.564 20 0 GCADHO C[C@@H](NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419878246 1194129999 /nfs/dbraw/zinc/12/99/99/1194129999.db2.gz FZPYTLOIQQMANF-YWTNHNAXSA-N 1 3 394.560 0.839 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000419914276 1194137963 /nfs/dbraw/zinc/13/79/63/1194137963.db2.gz BQPNAIUUMXYLSI-APWZRJJASA-N 1 3 387.528 0.430 20 0 GCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000419950375 1194143333 /nfs/dbraw/zinc/14/33/33/1194143333.db2.gz MEUQAXOMWGZQBF-SFHVURJKSA-N 1 3 389.544 0.234 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420030688 1194160998 /nfs/dbraw/zinc/16/09/98/1194160998.db2.gz GRGJBNVRXVFRGP-YOEHRIQHSA-N 1 3 394.491 0.945 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000420019078 1194162555 /nfs/dbraw/zinc/16/25/55/1194162555.db2.gz QPVWRUKVLPBGCT-PSBWJHGTSA-N 1 3 394.560 0.968 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420019077 1194162788 /nfs/dbraw/zinc/16/27/88/1194162788.db2.gz QPVWRUKVLPBGCT-OGWHTMIXSA-N 1 3 394.560 0.968 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000420055151 1194170857 /nfs/dbraw/zinc/17/08/57/1194170857.db2.gz HQBKFFUILLXIRY-UKRRQHHQSA-N 1 3 382.530 0.868 20 0 GCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000420089152 1194171969 /nfs/dbraw/zinc/17/19/69/1194171969.db2.gz JFNBYRUEDHBRKS-HOTGVXAUSA-N 1 3 380.533 0.722 20 0 GCADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420174613 1194201411 /nfs/dbraw/zinc/20/14/11/1194201411.db2.gz YVBKLUXURNIDCG-QGZVFWFLSA-N 1 3 389.500 0.633 20 0 GCADHO COC[C@H](C)N(C)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420206358 1194205617 /nfs/dbraw/zinc/20/56/17/1194205617.db2.gz OUTNIIACUZRJHK-INIZCTEOSA-N 1 3 376.501 0.589 20 0 GCADHO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000420189284 1194206370 /nfs/dbraw/zinc/20/63/70/1194206370.db2.gz DHKRYTUEMDREQO-IBGZPJMESA-N 1 3 388.512 0.258 20 0 GCADHO C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420209537 1194211492 /nfs/dbraw/zinc/21/14/92/1194211492.db2.gz SZVOJMGSWCJDEL-SJORKVTESA-N 1 3 388.512 0.732 20 0 GCADHO CCN(CC(C)(C)O)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420208933 1194212177 /nfs/dbraw/zinc/21/21/77/1194212177.db2.gz SORCSVIEHNRMCG-UHFFFAOYSA-N 1 3 390.528 0.716 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000420210713 1194212878 /nfs/dbraw/zinc/21/28/78/1194212878.db2.gz SLQKXRZHFPNIBV-PSBWJHGTSA-N 1 3 394.560 0.968 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501617837 1194214711 /nfs/dbraw/zinc/21/47/11/1194214711.db2.gz YZKTVZNOKOKJFU-KRWDZBQOSA-N 1 3 380.533 0.546 20 0 GCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501651818 1194218818 /nfs/dbraw/zinc/21/88/18/1194218818.db2.gz YLEVNJDUKWASIQ-SJLPKXTDSA-N 1 3 394.560 0.840 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501649279 1194219153 /nfs/dbraw/zinc/21/91/53/1194219153.db2.gz SKSABOFXIRLHED-LJQANCHMSA-N 1 3 393.576 0.463 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501649279 1194219158 /nfs/dbraw/zinc/21/91/58/1194219158.db2.gz SKSABOFXIRLHED-LJQANCHMSA-N 1 3 393.576 0.463 20 0 GCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000421407666 1194337141 /nfs/dbraw/zinc/33/71/41/1194337141.db2.gz MGPNRKZAZDYNDS-KRWDZBQOSA-N 1 3 376.501 0.796 20 0 GCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000422114604 1194393408 /nfs/dbraw/zinc/39/34/08/1194393408.db2.gz JBFXGGSWUKKSER-KRWDZBQOSA-N 1 3 380.533 0.642 20 0 GCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422116779 1194394475 /nfs/dbraw/zinc/39/44/75/1194394475.db2.gz LFIFWUSSUPKTSZ-QGZVFWFLSA-N 1 3 382.549 0.888 20 0 GCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000422378181 1194626997 /nfs/dbraw/zinc/62/69/97/1194626997.db2.gz LTGJEBPEGKMURP-OALUTQOASA-N 1 3 388.512 0.422 20 0 GCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000422378181 1194627000 /nfs/dbraw/zinc/62/70/00/1194627000.db2.gz LTGJEBPEGKMURP-OALUTQOASA-N 1 3 388.512 0.422 20 0 GCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000422395132 1194635373 /nfs/dbraw/zinc/63/53/73/1194635373.db2.gz IMJCEHHRFYZKGQ-FHWLQOOXSA-N 1 3 394.560 0.812 20 0 GCADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1CN ZINC000422642516 1194681213 /nfs/dbraw/zinc/68/12/13/1194681213.db2.gz ZMIUTWBFIVGNEY-VYDXJSESSA-N 1 3 396.557 0.688 20 0 GCADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1CN ZINC000422642516 1194681217 /nfs/dbraw/zinc/68/12/17/1194681217.db2.gz ZMIUTWBFIVGNEY-VYDXJSESSA-N 1 3 396.557 0.688 20 0 GCADHO C[C@@H]1C[C@H](C)N(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422642516 1194681219 /nfs/dbraw/zinc/68/12/19/1194681219.db2.gz ZMIUTWBFIVGNEY-VYDXJSESSA-N 1 3 396.557 0.688 20 0 GCADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC[NH2+]CC1 ZINC000422993369 1194713754 /nfs/dbraw/zinc/71/37/54/1194713754.db2.gz SPZBZSLIYLRWKR-CABCVRRESA-N 1 3 377.489 0.745 20 0 GCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423066948 1194723773 /nfs/dbraw/zinc/72/37/73/1194723773.db2.gz YGRMBKWWQCKOLO-QZTJIDSGSA-N 1 3 382.549 0.778 20 0 GCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423066947 1194723899 /nfs/dbraw/zinc/72/38/99/1194723899.db2.gz YGRMBKWWQCKOLO-MSOLQXFVSA-N 1 3 382.549 0.778 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423167284 1194735006 /nfs/dbraw/zinc/73/50/06/1194735006.db2.gz RXTGDLJKUSITCW-IRXDYDNUSA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423208376 1194736534 /nfs/dbraw/zinc/73/65/34/1194736534.db2.gz HTVJLJOZWFZMPC-ZWKOTPCHSA-N 1 3 394.560 0.792 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423212066 1194737534 /nfs/dbraw/zinc/73/75/34/1194737534.db2.gz ZOGHUPAHCWCXAI-KZNAEPCWSA-N 1 3 394.560 0.922 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423210818 1194737554 /nfs/dbraw/zinc/73/75/54/1194737554.db2.gz XPVFCOXXUAHIPX-SJORKVTESA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423200293 1194738552 /nfs/dbraw/zinc/73/85/52/1194738552.db2.gz FJHPNSOBQABMIM-DLBZAZTESA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423206544 1194739822 /nfs/dbraw/zinc/73/98/22/1194739822.db2.gz GBRBJWXFGAHDFY-ROUUACIJSA-N 1 3 380.533 0.546 20 0 GCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000423258863 1194744270 /nfs/dbraw/zinc/74/42/70/1194744270.db2.gz MVVNCPOPHDHIIF-SFHVURJKSA-N 1 3 376.501 0.461 20 0 GCADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423411493 1194754995 /nfs/dbraw/zinc/75/49/95/1194754995.db2.gz FSRWCGDUBFERFY-QGZVFWFLSA-N 1 3 393.536 0.481 20 0 GCADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423409031 1194755001 /nfs/dbraw/zinc/75/50/01/1194755001.db2.gz BGDSZQXPFRZKSL-QGZVFWFLSA-N 1 3 393.536 0.481 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000423471253 1194758539 /nfs/dbraw/zinc/75/85/39/1194758539.db2.gz FDCQEAZSAVAQQO-NVXWUHKLSA-N 1 3 376.501 0.781 20 0 GCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)C[C@H](C)O1 ZINC000423504645 1194760032 /nfs/dbraw/zinc/76/00/32/1194760032.db2.gz NOOHBFIKCXJKLV-IRXDYDNUSA-N 1 3 394.560 0.922 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)C[C@H](C)O1 ZINC000423504643 1194760154 /nfs/dbraw/zinc/76/01/54/1194760154.db2.gz NOOHBFIKCXJKLV-CALCHBBNSA-N 1 3 394.560 0.922 20 0 GCADHO C[NH2+]C1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000423497676 1194761106 /nfs/dbraw/zinc/76/11/06/1194761106.db2.gz HFQLMHPUKKBLED-CALCHBBNSA-N 1 3 394.560 0.935 20 0 GCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423511509 1194761834 /nfs/dbraw/zinc/76/18/34/1194761834.db2.gz TYXUIKWRLNFSRM-ZMMAXQRCSA-N 1 3 394.560 0.920 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1)Cc1ccccc1 ZINC000423646704 1194777616 /nfs/dbraw/zinc/77/76/16/1194777616.db2.gz MFOJLZJBLAAYCU-LJQANCHMSA-N 1 3 387.528 0.212 20 0 GCADHO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000423724505 1194789323 /nfs/dbraw/zinc/78/93/23/1194789323.db2.gz RLXNNXSRESUXCH-IBGZPJMESA-N 1 3 394.560 0.938 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424530967 1194819528 /nfs/dbraw/zinc/81/95/28/1194819528.db2.gz WFNOIYKSIHDZAG-MRXNPFEDSA-N 1 3 394.560 0.983 20 0 GCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC(OCC[NH+]4CCCC4)CC3)[C@@H]2C1 ZINC000425384157 1194935045 /nfs/dbraw/zinc/93/50/45/1194935045.db2.gz JEYXGNQKYNXVOG-PKOBYXMFSA-N 1 3 392.544 0.642 20 0 GCADHO COCC[N@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000515500432 1194978566 /nfs/dbraw/zinc/97/85/66/1194978566.db2.gz VUFNUINTTDIXQD-FXAWDEMLSA-N 1 3 390.484 0.122 20 0 GCADHO COCC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000515500432 1194978568 /nfs/dbraw/zinc/97/85/68/1194978568.db2.gz VUFNUINTTDIXQD-FXAWDEMLSA-N 1 3 390.484 0.122 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000516237133 1195035148 /nfs/dbraw/zinc/03/51/48/1195035148.db2.gz KYTJLTCFJLDKRJ-UHFFFAOYSA-N 1 3 375.473 0.096 20 0 GCADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000516771412 1195093634 /nfs/dbraw/zinc/09/36/34/1195093634.db2.gz LVRWXNLZRXMZLK-SFHVURJKSA-N 1 3 377.489 0.009 20 0 GCADHO COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000506052672 1195113724 /nfs/dbraw/zinc/11/37/24/1195113724.db2.gz XGHGLVKSZNAMIZ-MRXNPFEDSA-N 1 3 384.521 0.672 20 0 GCADHO O=C(C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000516964882 1195120124 /nfs/dbraw/zinc/12/01/24/1195120124.db2.gz BASNCXOWYGINFW-NNMXDRDESA-N 1 3 382.508 0.931 20 0 GCADHO CN1CCN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000517020098 1195125179 /nfs/dbraw/zinc/12/51/79/1195125179.db2.gz CLBMYCFKYVZLLT-KRWDZBQOSA-N 1 3 379.549 0.250 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000517108679 1195136842 /nfs/dbraw/zinc/13/68/42/1195136842.db2.gz JSZHCLZVTSAAOX-UHFFFAOYSA-N 1 3 386.500 0.977 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1)CN1CCN(C)CC1 ZINC000517595975 1195195193 /nfs/dbraw/zinc/19/51/93/1195195193.db2.gz IMYUXYREHYXELH-QZTJIDSGSA-N 1 3 381.565 0.224 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414971208 1195272746 /nfs/dbraw/zinc/27/27/46/1195272746.db2.gz HXSKZERGCHLOKH-SFHVURJKSA-N 1 3 399.495 0.036 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000518802353 1195335834 /nfs/dbraw/zinc/33/58/34/1195335834.db2.gz ALDBCYNZBUZALL-HKUYNNGSSA-N 1 3 391.560 0.214 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000518802353 1195335838 /nfs/dbraw/zinc/33/58/38/1195335838.db2.gz ALDBCYNZBUZALL-HKUYNNGSSA-N 1 3 391.560 0.214 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000519667669 1195562886 /nfs/dbraw/zinc/56/28/86/1195562886.db2.gz POCJAKTXVAHUEK-DOTOQJQBSA-N 1 3 380.533 0.733 20 0 GCADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CN3CCOCC3)cc2)CC1 ZINC000520218943 1195607725 /nfs/dbraw/zinc/60/77/25/1195607725.db2.gz JEHCFNDBJMJSBU-OAQYLSRUSA-N 1 3 376.545 0.607 20 0 GCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000550372209 1195646403 /nfs/dbraw/zinc/64/64/03/1195646403.db2.gz OUGJOHZLEAHWLR-QGZVFWFLSA-N 1 3 381.565 0.365 20 0 GCADHO C[C@H](CNC(=O)N1CCC[C@H](CN2CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000074654624 1195750272 /nfs/dbraw/zinc/75/02/72/1195750272.db2.gz HNJAWDPJTXIOQL-RTBURBONSA-N 1 3 381.565 0.624 20 0 GCADHO C[C@H]1CCC[C@](CNC(=O)C(=O)NCCCCN2CCN(C)CC2)([NH+](C)C)C1 ZINC000520620629 1195804113 /nfs/dbraw/zinc/80/41/13/1195804113.db2.gz IIGBTZZDFJONRZ-RXVVDRJESA-N 1 3 395.592 0.757 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000428033002 1195904441 /nfs/dbraw/zinc/90/44/41/1195904441.db2.gz LWFUYZXXRFAIHS-MSOLQXFVSA-N 1 3 380.533 0.689 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000428033002 1195904446 /nfs/dbraw/zinc/90/44/46/1195904446.db2.gz LWFUYZXXRFAIHS-MSOLQXFVSA-N 1 3 380.533 0.689 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000521414124 1195995205 /nfs/dbraw/zinc/99/52/05/1195995205.db2.gz VLKPPSAEOXRNTQ-HZPDHXFCSA-N 1 3 380.533 0.450 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000521414125 1195995333 /nfs/dbraw/zinc/99/53/33/1195995333.db2.gz VLKPPSAEOXRNTQ-IYBDPMFKSA-N 1 3 380.533 0.450 20 0 GCADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000522014961 1196034378 /nfs/dbraw/zinc/03/43/78/1196034378.db2.gz RTIORQQKDLOORW-IAGOWNOFSA-N 1 3 387.484 0.237 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(CCN4C(=O)CCC4=O)C[C@H]3C2)CC[N@@H+]1C ZINC001087971237 1196143694 /nfs/dbraw/zinc/14/36/94/1196143694.db2.gz MPWOVNZFAIIGDF-WCXIOVBPSA-N 1 3 376.501 0.256 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(CCN4C(=O)CCC4=O)C[C@H]3C2)CC[N@H+]1C ZINC001087971237 1196143697 /nfs/dbraw/zinc/14/36/97/1196143697.db2.gz MPWOVNZFAIIGDF-WCXIOVBPSA-N 1 3 376.501 0.256 20 0 GCADHO CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152456823 1196466161 /nfs/dbraw/zinc/46/61/61/1196466161.db2.gz HYZDACNQSMANFG-QGZVFWFLSA-N 1 3 396.557 0.656 20 0 GCADHO CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152456823 1196466164 /nfs/dbraw/zinc/46/61/64/1196466164.db2.gz HYZDACNQSMANFG-QGZVFWFLSA-N 1 3 396.557 0.656 20 0 GCADHO COCCC[NH+]1CCC(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000524032116 1196573144 /nfs/dbraw/zinc/57/31/44/1196573144.db2.gz YIQZYURGEXJIDF-SFHVURJKSA-N 1 3 397.564 0.729 20 0 GCADHO CC1CC[NH+](C[C@H](O)CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000524619481 1196611081 /nfs/dbraw/zinc/61/10/81/1196611081.db2.gz UPIWPVYUVVTEQE-QZTJIDSGSA-N 1 3 397.564 0.321 20 0 GCADHO CCCN(C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCN(C)C1 ZINC000645542650 1196689879 /nfs/dbraw/zinc/68/98/79/1196689879.db2.gz DLAOGWNMZULQHO-SFHVURJKSA-N 1 3 381.565 0.909 20 0 GCADHO CC(=O)Nc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1F ZINC000525882414 1196720565 /nfs/dbraw/zinc/72/05/65/1196720565.db2.gz KAWGMMSVGLCBKS-UHFFFAOYSA-N 1 3 381.452 0.674 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000526132176 1196744141 /nfs/dbraw/zinc/74/41/41/1196744141.db2.gz SZTRONODUUHBPR-UHFFFAOYSA-N 1 3 389.500 0.486 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000527123871 1196767438 /nfs/dbraw/zinc/76/74/38/1196767438.db2.gz JNZANBWTLCLKCQ-UHFFFAOYSA-N 1 3 389.500 0.852 20 0 GCADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000448149281 1196777598 /nfs/dbraw/zinc/77/75/98/1196777598.db2.gz VFUKJFMIKGQBAZ-GOSISDBHSA-N 1 3 383.581 0.796 20 0 GCADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000448149281 1196777602 /nfs/dbraw/zinc/77/76/02/1196777602.db2.gz VFUKJFMIKGQBAZ-GOSISDBHSA-N 1 3 383.581 0.796 20 0 GCADHO C[C@@H]1Oc2ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc2NC1=O ZINC000527374313 1196784001 /nfs/dbraw/zinc/78/40/01/1196784001.db2.gz SOWUKXQDSGTXIK-ZDUSSCGKSA-N 1 3 391.472 0.296 20 0 GCADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1C(=O)N(C)C ZINC000527373852 1196784021 /nfs/dbraw/zinc/78/40/21/1196784021.db2.gz HXKGWSYJYVWMHZ-UHFFFAOYSA-N 1 3 391.516 0.587 20 0 GCADHO CC(C)NC(=O)c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000527374141 1196784058 /nfs/dbraw/zinc/78/40/58/1196784058.db2.gz DDAKTMYIPSOMOB-UHFFFAOYSA-N 1 3 391.516 0.715 20 0 GCADHO CCNC(=O)c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000527374146 1196784100 /nfs/dbraw/zinc/78/41/00/1196784100.db2.gz GXZUWXIXWHMZHQ-UHFFFAOYSA-N 1 3 377.489 0.327 20 0 GCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCCN2CCN(CCO)CC2)[C@@H](C)C1 ZINC000448519522 1196809454 /nfs/dbraw/zinc/80/94/54/1196809454.db2.gz DWNRGEBOOWIOKX-OALUTQOASA-N 1 3 383.581 0.748 20 0 GCADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCCCN2CCN(CCO)CC2)[C@@H](C)C1 ZINC000448519522 1196809461 /nfs/dbraw/zinc/80/94/61/1196809461.db2.gz DWNRGEBOOWIOKX-OALUTQOASA-N 1 3 383.581 0.748 20 0 GCADHO CC1[C@@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000450482816 1196929659 /nfs/dbraw/zinc/92/96/59/1196929659.db2.gz DDRZGPNZSNPWQP-GFLQDLJJSA-N 1 3 388.556 0.974 20 0 GCADHO CC1[C@@H](C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000450482816 1196929662 /nfs/dbraw/zinc/92/96/62/1196929662.db2.gz DDRZGPNZSNPWQP-GFLQDLJJSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000450482817 1196929903 /nfs/dbraw/zinc/92/99/03/1196929903.db2.gz DDRZGPNZSNPWQP-MQOFPFBISA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000450482817 1196929906 /nfs/dbraw/zinc/92/99/06/1196929906.db2.gz DDRZGPNZSNPWQP-MQOFPFBISA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000450482817 1196929909 /nfs/dbraw/zinc/92/99/09/1196929909.db2.gz DDRZGPNZSNPWQP-MQOFPFBISA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000450482817 1196929912 /nfs/dbraw/zinc/92/99/12/1196929912.db2.gz DDRZGPNZSNPWQP-MQOFPFBISA-N 1 3 388.556 0.974 20 0 GCADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000391038346 1196960374 /nfs/dbraw/zinc/96/03/74/1196960374.db2.gz QCAYNIUDOIZHMN-HKUYNNGSSA-N 1 3 376.501 0.493 20 0 GCADHO CO[C@H](CNC(=O)[C@H]1CCN1C(C)(C)C)CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897366041 1197049652 /nfs/dbraw/zinc/04/96/52/1197049652.db2.gz HVRHYCLDEPSTDC-PHZGNYQRSA-N 1 3 382.549 0.979 20 0 GCADHO CO[C@H](CNC(=O)[C@H]1CCN1C(C)(C)C)CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897366041 1197049656 /nfs/dbraw/zinc/04/96/56/1197049656.db2.gz HVRHYCLDEPSTDC-PHZGNYQRSA-N 1 3 382.549 0.979 20 0 GCADHO CO[C@H](CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)CNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897366041 1197049661 /nfs/dbraw/zinc/04/96/61/1197049661.db2.gz HVRHYCLDEPSTDC-PHZGNYQRSA-N 1 3 382.549 0.979 20 0 GCADHO CO[C@H](CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C)CNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897366041 1197049664 /nfs/dbraw/zinc/04/96/64/1197049664.db2.gz HVRHYCLDEPSTDC-PHZGNYQRSA-N 1 3 382.549 0.979 20 0 GCADHO CN1CCN(CCCCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000531759062 1197095223 /nfs/dbraw/zinc/09/52/23/1197095223.db2.gz DWVWILKWQNLGAM-OALUTQOASA-N 1 3 381.565 0.691 20 0 GCADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453805519 1197139204 /nfs/dbraw/zinc/13/92/04/1197139204.db2.gz LSGIYXAVERJQAU-QGZVFWFLSA-N 1 3 376.501 0.692 20 0 GCADHO O=C1C[C@@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)CN1CCN1CCOCC1 ZINC000655730817 1197150523 /nfs/dbraw/zinc/15/05/23/1197150523.db2.gz UFNUMUPUYCLCCC-MOPGFXCFSA-N 1 3 380.533 0.153 20 0 GCADHO CC(C)(O)C[NH+]1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000171147287 1197157427 /nfs/dbraw/zinc/15/74/27/1197157427.db2.gz IQXBPQPGXCXVBW-UHFFFAOYSA-N 1 3 396.576 0.526 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729610176 1197308392 /nfs/dbraw/zinc/30/83/92/1197308392.db2.gz DODWOKQGHXQQBE-ULQDDVLXSA-N 1 3 381.521 0.092 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729610176 1197308393 /nfs/dbraw/zinc/30/83/93/1197308393.db2.gz DODWOKQGHXQQBE-ULQDDVLXSA-N 1 3 381.521 0.092 20 0 GCADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc21 ZINC000897440166 1197326111 /nfs/dbraw/zinc/32/61/11/1197326111.db2.gz OANVFKWCQLXCAR-LJQANCHMSA-N 1 3 377.489 0.736 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(=O)NCC(F)(F)F)CC2)CC1 ZINC000051761406 1197383689 /nfs/dbraw/zinc/38/36/89/1197383689.db2.gz KNCYTUKIAOITIJ-UHFFFAOYSA-N 1 3 379.427 0.523 20 0 GCADHO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2)N1CC[NH+](C)CC1 ZINC000193915717 1197397737 /nfs/dbraw/zinc/39/77/37/1197397737.db2.gz MBDOYKTZBUTEJH-LJQANCHMSA-N 1 3 387.528 0.959 20 0 GCADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419125863 1197411115 /nfs/dbraw/zinc/41/11/15/1197411115.db2.gz UVSHXVYRTAHEFP-RDJZCZTQSA-N 1 3 391.520 0.281 20 0 GCADHO COC(=O)CNC(=O)[C@@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000533484704 1197454851 /nfs/dbraw/zinc/45/48/51/1197454851.db2.gz QZOFBFSWSXXBKQ-MRXNPFEDSA-N 1 3 382.549 0.792 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000076983688 1197484505 /nfs/dbraw/zinc/48/45/05/1197484505.db2.gz CXRPDYJURBLTSP-KRWDZBQOSA-N 1 3 377.533 0.953 20 0 GCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000076983688 1197484507 /nfs/dbraw/zinc/48/45/07/1197484507.db2.gz CXRPDYJURBLTSP-KRWDZBQOSA-N 1 3 377.533 0.953 20 0 GCADHO O=C(NC[C@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261794583 1197515316 /nfs/dbraw/zinc/51/53/16/1197515316.db2.gz IKCAJBBYOKWLCC-HZPDHXFCSA-N 1 3 391.516 0.431 20 0 GCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)C2)C1 ZINC000656028637 1199065579 /nfs/dbraw/zinc/06/55/79/1199065579.db2.gz NZTBEZPTMQTUSI-QQXKLLMISA-N 1 3 392.544 0.864 20 0 GCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)C2)C1 ZINC000656028636 1199065749 /nfs/dbraw/zinc/06/57/49/1199065749.db2.gz NZTBEZPTMQTUSI-NNIGNNQHSA-N 1 3 392.544 0.864 20 0 GCADHO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)ccn1 ZINC000672310782 1199202878 /nfs/dbraw/zinc/20/28/78/1199202878.db2.gz HXUBXXSLMQJINU-QGZVFWFLSA-N 1 3 389.500 0.239 20 0 GCADHO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672308943 1199204194 /nfs/dbraw/zinc/20/41/94/1199204194.db2.gz FBOMCFFXFRBQQT-QGZVFWFLSA-N 1 3 380.533 0.546 20 0 GCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000672442750 1199235018 /nfs/dbraw/zinc/23/50/18/1199235018.db2.gz BENBFYHAPVOZEQ-INIZCTEOSA-N 1 3 382.549 0.983 20 0 GCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1C ZINC000672641856 1199303616 /nfs/dbraw/zinc/30/36/16/1199303616.db2.gz YLWKPCNGBDKDNJ-FUHWJXTLSA-N 1 3 379.549 0.070 20 0 GCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1C ZINC000672641856 1199303618 /nfs/dbraw/zinc/30/36/18/1199303618.db2.gz YLWKPCNGBDKDNJ-FUHWJXTLSA-N 1 3 379.549 0.070 20 0 GCADHO C[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)CN1CCN(C)CC1 ZINC000466001445 1199335478 /nfs/dbraw/zinc/33/54/78/1199335478.db2.gz XDXCMHICZPWJDI-QZTJIDSGSA-N 1 3 381.565 0.670 20 0 GCADHO CN1CCC([NH+]2CCC(NC(=O)N3CCN(CCO)C(C)(C)C3)CC2)CC1 ZINC000672795689 1199336489 /nfs/dbraw/zinc/33/64/89/1199336489.db2.gz ZTMZMNYJFWWZRD-UHFFFAOYSA-N 1 3 381.565 0.643 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1(C)C ZINC000672854547 1199352303 /nfs/dbraw/zinc/35/23/03/1199352303.db2.gz QATVCAMGUGLDDT-UHFFFAOYSA-N 1 3 379.549 0.215 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1(C)C ZINC000672854507 1199352626 /nfs/dbraw/zinc/35/26/26/1199352626.db2.gz HLPQLINSUCVOCT-IRXDYDNUSA-N 1 3 379.549 0.071 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1(C)C ZINC000672854507 1199352631 /nfs/dbraw/zinc/35/26/31/1199352631.db2.gz HLPQLINSUCVOCT-IRXDYDNUSA-N 1 3 379.549 0.071 20 0 GCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673583538 1199829534 /nfs/dbraw/zinc/82/95/34/1199829534.db2.gz AJAJAUINNYGVAF-BPQIPLTHSA-N 1 3 380.533 0.471 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CC1 ZINC000888462242 1200239529 /nfs/dbraw/zinc/23/95/29/1200239529.db2.gz CNAJSGANIOLQLX-MRXNPFEDSA-N 1 3 383.537 0.637 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC[C@@H](C)[NH2+]C)cc2)CC1 ZINC001118016363 1200432673 /nfs/dbraw/zinc/43/26/73/1200432673.db2.gz DIUNCTCAMYHYQV-MRXNPFEDSA-N 1 3 375.517 0.877 20 0 GCADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000675817656 1200461803 /nfs/dbraw/zinc/46/18/03/1200461803.db2.gz WLDBXGYPDBVENI-QZTJIDSGSA-N 1 3 390.594 0.290 20 0 GCADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000675817656 1200461809 /nfs/dbraw/zinc/46/18/09/1200461809.db2.gz WLDBXGYPDBVENI-QZTJIDSGSA-N 1 3 390.594 0.290 20 0 GCADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000675817658 1200461905 /nfs/dbraw/zinc/46/19/05/1200461905.db2.gz WLDBXGYPDBVENI-ZWKOTPCHSA-N 1 3 390.594 0.290 20 0 GCADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000675817658 1200461910 /nfs/dbraw/zinc/46/19/10/1200461910.db2.gz WLDBXGYPDBVENI-ZWKOTPCHSA-N 1 3 390.594 0.290 20 0 GCADHO [NH3+]CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000923483501 1201039911 /nfs/dbraw/zinc/03/99/11/1201039911.db2.gz BAEVPHOGKZOTLC-HNNXBMFYSA-N 1 3 398.504 0.329 20 0 GCADHO C[C@@H]1CN(C[C@@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@@H](C)O1 ZINC000497513468 1201403708 /nfs/dbraw/zinc/40/37/08/1201403708.db2.gz ZPXIMOHDWURISN-JAKSCESISA-N 1 3 380.577 0.699 20 0 GCADHO C[C@@H]1CN(C[C@@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@@H](C)O1 ZINC000497513468 1201403714 /nfs/dbraw/zinc/40/37/14/1201403714.db2.gz ZPXIMOHDWURISN-JAKSCESISA-N 1 3 380.577 0.699 20 0 GCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001109653875 1202098994 /nfs/dbraw/zinc/09/89/94/1202098994.db2.gz KNQZCVMYQJQGRU-QPSCCSFWSA-N 1 3 381.439 0.990 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H](N)[C@@H]([N+](=c2ccccn2C)[C@H](O)OC(C)(C)C)C1 ZINC001170389496 1205491344 /nfs/dbraw/zinc/49/13/44/1205491344.db2.gz QZBYNZAHYQAYEU-BGJMDTOESA-N 1 3 381.541 0.785 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)N1CCCCC1 ZINC000793715882 1205503398 /nfs/dbraw/zinc/50/33/98/1205503398.db2.gz JIXDMRMQJXQQAL-INIZCTEOSA-N 1 3 395.548 0.036 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N1CCCCC1 ZINC000793705567 1205504613 /nfs/dbraw/zinc/50/46/13/1205504613.db2.gz FJXHWSKPTBRHRF-CEXWTWQISA-N 1 3 393.576 0.461 20 0 GCADHO CCc1cc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000805847354 1205545676 /nfs/dbraw/zinc/54/56/76/1205545676.db2.gz AVPNPFQJPWYHHT-QGZVFWFLSA-N 1 3 376.505 0.215 20 0 GCADHO CCc1cc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000805847354 1205545677 /nfs/dbraw/zinc/54/56/77/1205545677.db2.gz AVPNPFQJPWYHHT-QGZVFWFLSA-N 1 3 376.505 0.215 20 0 GCADHO COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1NCCN(C)CC[NH3+] ZINC001170499764 1205550149 /nfs/dbraw/zinc/55/01/49/1205550149.db2.gz VEXJQDIEQNPBBM-OAHLLOKOSA-N 1 3 381.521 0.490 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806730727 1205565774 /nfs/dbraw/zinc/56/57/74/1205565774.db2.gz ZRNJEVRQTAAULS-UHFFFAOYSA-N 1 3 378.517 0.482 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCCCC1 ZINC000808344764 1205605807 /nfs/dbraw/zinc/60/58/07/1205605807.db2.gz WYBAHHUSZVKREK-NJAFHUGGSA-N 1 3 380.533 0.471 20 0 GCADHO CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131500386 1205613334 /nfs/dbraw/zinc/61/33/34/1205613334.db2.gz UXLJHKWADRECFU-MYZZLAAOSA-N 1 3 380.533 0.448 20 0 GCADHO CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131500386 1205613335 /nfs/dbraw/zinc/61/33/35/1205613335.db2.gz UXLJHKWADRECFU-MYZZLAAOSA-N 1 3 380.533 0.448 20 0 GCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170563562 1205613461 /nfs/dbraw/zinc/61/34/61/1205613461.db2.gz MGGLHNLVAQICMS-ZOBUZTSGSA-N 1 3 394.516 0.976 20 0 GCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170774672 1205697266 /nfs/dbraw/zinc/69/72/66/1205697266.db2.gz MMYRABWLWJHGRH-IMJJTQAJSA-N 1 3 380.489 0.179 20 0 GCADHO COCCCN1CCC([NH2+]CC(=O)NCC(=O)OCc2ccccc2)CC1 ZINC001172245617 1205714872 /nfs/dbraw/zinc/71/48/72/1205714872.db2.gz YHMQPJJKPPICRF-UHFFFAOYSA-N 1 3 377.485 0.937 20 0 GCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)C1=NO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001179233530 1205806884 /nfs/dbraw/zinc/80/68/84/1205806884.db2.gz NONQCLPDPFRVNC-QWHCGFSZSA-N 1 3 396.492 0.672 20 0 GCADHO C[C@H](O)CC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001181356010 1205842542 /nfs/dbraw/zinc/84/25/42/1205842542.db2.gz IUVRTGNRQSIAQH-OMDWYFEUSA-N 1 3 375.510 0.053 20 0 GCADHO CO[C@H](C)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001181459753 1205844198 /nfs/dbraw/zinc/84/41/98/1205844198.db2.gz HPLXJXQZIBMPKF-IHFPKREYSA-N 1 3 375.510 0.317 20 0 GCADHO CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182553472 1205875712 /nfs/dbraw/zinc/87/57/12/1205875712.db2.gz OCPNYWXSNDVVHV-HNNXBMFYSA-N 1 3 382.486 0.483 20 0 GCADHO CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182553472 1205875714 /nfs/dbraw/zinc/87/57/14/1205875714.db2.gz OCPNYWXSNDVVHV-HNNXBMFYSA-N 1 3 382.486 0.483 20 0 GCADHO CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C(=O)NCC[NH2+]CCO)CC2)C1 ZINC001183157459 1205888702 /nfs/dbraw/zinc/88/87/02/1205888702.db2.gz LUZGDFGUDPLGKL-INIZCTEOSA-N 1 3 384.521 0.406 20 0 GCADHO CCOC(=O)N1CCN(C(=O)[C@H](C)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000774726523 1205905894 /nfs/dbraw/zinc/90/58/94/1205905894.db2.gz OMQMPASZIGOXPU-KRWDZBQOSA-N 1 3 397.564 0.633 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ccc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001188582734 1205987999 /nfs/dbraw/zinc/98/79/99/1205987999.db2.gz XFUIWFIIIFEWBE-XRDYDQJJSA-N 1 3 382.505 0.924 20 0 GCADHO CC(C)N(C)Cc1nn(-c2ncccc2C(=O)N2CCNCC2)c2c1CC[NH2+]C2 ZINC001164681304 719630609 /nfs/dbraw/zinc/63/06/09/719630609.db2.gz GMOFYLYVUBXHJC-UHFFFAOYSA-N 1 3 397.527 0.799 20 0 GCADHO CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(N(C)C)nc(C)[nH+]3)C2)C1 ZINC001164720350 720218383 /nfs/dbraw/zinc/21/83/83/720218383.db2.gz YYDJGERSKAZLHW-IBGZPJMESA-N 1 3 376.505 0.516 20 0 GCADHO Cn1cc(CN2CC[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164765233 721092148 /nfs/dbraw/zinc/09/21/48/721092148.db2.gz ISQIVZBTTDRVQI-MSOLQXFVSA-N 1 3 382.516 0.578 20 0 GCADHO c1cncc(CO[C@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CCN3C2)c1 ZINC001164862831 721096259 /nfs/dbraw/zinc/09/62/59/721096259.db2.gz BBAZJHGPUGQPAP-MOPGFXCFSA-N 1 3 395.511 0.761 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078044 951677245 /nfs/dbraw/zinc/67/72/45/951677245.db2.gz JNEPOKVFUQKJJW-GXTWGEPZSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078044 951677250 /nfs/dbraw/zinc/67/72/50/951677250.db2.gz JNEPOKVFUQKJJW-GXTWGEPZSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078045 951677363 /nfs/dbraw/zinc/67/73/63/951677363.db2.gz JNEPOKVFUQKJJW-JSGCOSHPSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078045 951677371 /nfs/dbraw/zinc/67/73/71/951677371.db2.gz JNEPOKVFUQKJJW-JSGCOSHPSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079055 951687902 /nfs/dbraw/zinc/68/79/02/951687902.db2.gz PARHETRKTCNTMJ-ZDUSSCGKSA-N 1 3 387.463 0.944 20 0 GCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079055 951687906 /nfs/dbraw/zinc/68/79/06/951687906.db2.gz PARHETRKTCNTMJ-ZDUSSCGKSA-N 1 3 387.463 0.944 20 0 GCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575091652 951780150 /nfs/dbraw/zinc/78/01/50/951780150.db2.gz TZOPZJJBLXDMNE-JSGCOSHPSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575091652 951780157 /nfs/dbraw/zinc/78/01/57/951780157.db2.gz TZOPZJJBLXDMNE-JSGCOSHPSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103000 951872489 /nfs/dbraw/zinc/87/24/89/951872489.db2.gz QKJBPEQHMSHSJM-CYBMUJFWSA-N 1 3 387.463 0.944 20 0 GCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103000 951872495 /nfs/dbraw/zinc/87/24/95/951872495.db2.gz QKJBPEQHMSHSJM-CYBMUJFWSA-N 1 3 387.463 0.944 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCn1cc(Br)cn1 ZINC000567779206 530548360 /nfs/dbraw/zinc/54/83/60/530548360.db2.gz FKCLMQXFTWCWBV-UHFFFAOYSA-N 1 3 375.315 0.780 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000881849358 641659427 /nfs/dbraw/zinc/65/94/27/641659427.db2.gz PCCHOKCATMQHMI-FATZIPQQSA-N 1 3 383.584 0.154 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000881849358 641659429 /nfs/dbraw/zinc/65/94/29/641659429.db2.gz PCCHOKCATMQHMI-FATZIPQQSA-N 1 3 383.584 0.154 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000809528631 641709652 /nfs/dbraw/zinc/70/96/52/641709652.db2.gz BWBVIPAAUAYULQ-RBSFLKMASA-N 1 3 388.603 0.434 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCSC1 ZINC000884612281 641787132 /nfs/dbraw/zinc/78/71/32/641787132.db2.gz IRRLCNKVXQEFBG-MJVIPROJSA-N 1 3 382.452 0.136 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000661980359 1192211381 /nfs/dbraw/zinc/21/13/81/1192211381.db2.gz AUROIRUNCWJPKQ-CEXWTWQISA-N 1 3 380.533 0.917 20 0 GCADHO COCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC000636676511 1192256648 /nfs/dbraw/zinc/25/66/48/1192256648.db2.gz JHRKSUQHXDATOC-MOPGFXCFSA-N 1 3 388.512 0.522 20 0 GCADHO COCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000636676511 1192256651 /nfs/dbraw/zinc/25/66/51/1192256651.db2.gz JHRKSUQHXDATOC-MOPGFXCFSA-N 1 3 388.512 0.522 20 0 GCADHO COCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000636676511 1192256654 /nfs/dbraw/zinc/25/66/54/1192256654.db2.gz JHRKSUQHXDATOC-MOPGFXCFSA-N 1 3 388.512 0.522 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@](C)(C(F)F)O1 ZINC000663537330 1192377396 /nfs/dbraw/zinc/37/73/96/1192377396.db2.gz GTOVDAUXAIJTBZ-SUMWQHHRSA-N 1 3 378.464 0.209 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000585725335 1192398191 /nfs/dbraw/zinc/39/81/91/1192398191.db2.gz MSTFKHSQVGTDCT-GUDVDZBRSA-N 1 3 391.560 0.356 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000585725335 1192398195 /nfs/dbraw/zinc/39/81/95/1192398195.db2.gz MSTFKHSQVGTDCT-GUDVDZBRSA-N 1 3 391.560 0.356 20 0 GCADHO C[C@]1(NC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC[NH2+]C1 ZINC000663616236 1192419030 /nfs/dbraw/zinc/41/90/30/1192419030.db2.gz SUPKCUZNIUZVGL-FQEVSTJZSA-N 1 3 387.484 0.191 20 0 GCADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000637220123 1192449640 /nfs/dbraw/zinc/44/96/40/1192449640.db2.gz HIOFAJUGWMPQSV-VAMGGRTRSA-N 1 3 390.528 0.889 20 0 GCADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000637220123 1192449643 /nfs/dbraw/zinc/44/96/43/1192449643.db2.gz HIOFAJUGWMPQSV-VAMGGRTRSA-N 1 3 390.528 0.889 20 0 GCADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)NC(=O)NC1CCCCC1 ZINC000512240296 1192568258 /nfs/dbraw/zinc/56/82/58/1192568258.db2.gz HRHMKLZUZMIPIB-QGZVFWFLSA-N 1 3 397.564 0.513 20 0 GCADHO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000418760116 1192640875 /nfs/dbraw/zinc/64/08/75/1192640875.db2.gz GUIBFVWYYPTWOF-KRWDZBQOSA-N 1 3 391.516 0.447 20 0 GCADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418788955 1192644123 /nfs/dbraw/zinc/64/41/23/1192644123.db2.gz WFALDYWPWWDCBX-SFHVURJKSA-N 1 3 387.528 0.573 20 0 GCADHO CC(C)(CNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[NH+]1CCCCC1 ZINC000418830029 1192658936 /nfs/dbraw/zinc/65/89/36/1192658936.db2.gz HOLOHCIDCHHZFT-INIZCTEOSA-N 1 3 391.520 0.281 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)[C@@H](C[NH3+])C1 ZINC000418847529 1192666858 /nfs/dbraw/zinc/66/68/58/1192666858.db2.gz JMAHPFLDYVGLLG-FGTMMUONSA-N 1 3 376.501 0.240 20 0 GCADHO CC[C@@H]1OCC[C@H]1NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000418980479 1192709013 /nfs/dbraw/zinc/70/90/13/1192709013.db2.gz FEFWQVVGTNAIGM-MSOLQXFVSA-N 1 3 388.512 0.780 20 0 GCADHO C[C@@H]1CC[C@@H](CNC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)O1 ZINC000419002288 1192713663 /nfs/dbraw/zinc/71/36/63/1192713663.db2.gz ZHYDDTLXHOBHBP-AEFFLSMTSA-N 1 3 388.512 0.780 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419021265 1192726267 /nfs/dbraw/zinc/72/62/67/1192726267.db2.gz GQLQTFBTHVXCDU-JFRXWTBNSA-N 1 3 394.560 0.968 20 0 GCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419030167 1192729446 /nfs/dbraw/zinc/72/94/46/1192729446.db2.gz SPMHZLATADCCRH-ZACQAIPSSA-N 1 3 395.548 0.069 20 0 GCADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419032557 1192733483 /nfs/dbraw/zinc/73/34/83/1192733483.db2.gz WAWMOEVTWLCLSA-PBHICJAKSA-N 1 3 376.501 0.984 20 0 GCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419032557 1192733485 /nfs/dbraw/zinc/73/34/85/1192733485.db2.gz WAWMOEVTWLCLSA-PBHICJAKSA-N 1 3 376.501 0.984 20 0 GCADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419098526 1192784278 /nfs/dbraw/zinc/78/42/78/1192784278.db2.gz CJSIAKSNIYYMLB-MSOLQXFVSA-N 1 3 388.512 0.508 20 0 GCADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419098526 1192784281 /nfs/dbraw/zinc/78/42/81/1192784281.db2.gz CJSIAKSNIYYMLB-MSOLQXFVSA-N 1 3 388.512 0.508 20 0 GCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419131567 1192805443 /nfs/dbraw/zinc/80/54/43/1192805443.db2.gz ALFMJVNBUDNZQC-RTBURBONSA-N 1 3 388.512 0.734 20 0 GCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419131565 1192805904 /nfs/dbraw/zinc/80/59/04/1192805904.db2.gz ALFMJVNBUDNZQC-RBUKOAKNSA-N 1 3 388.512 0.734 20 0 GCADHO CC[C@@H](COC)NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419154569 1192811847 /nfs/dbraw/zinc/81/18/47/1192811847.db2.gz YMNJJJCBNAIPKI-KRWDZBQOSA-N 1 3 376.501 0.637 20 0 GCADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419160466 1192818725 /nfs/dbraw/zinc/81/87/25/1192818725.db2.gz HLIMUYVLDOZFAB-ZWKOTPCHSA-N 1 3 376.501 0.445 20 0 GCADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419161465 1192819319 /nfs/dbraw/zinc/81/93/19/1192819319.db2.gz IYQYIDVYDHRLST-QZTJIDSGSA-N 1 3 376.501 0.364 20 0 GCADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419161466 1192819508 /nfs/dbraw/zinc/81/95/08/1192819508.db2.gz IYQYIDVYDHRLST-ROUUACIJSA-N 1 3 376.501 0.364 20 0 GCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419161879 1192821009 /nfs/dbraw/zinc/82/10/09/1192821009.db2.gz FLYOSSSQSQOQRU-NZSAHSFTSA-N 1 3 388.512 0.650 20 0 GCADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419164129 1192821477 /nfs/dbraw/zinc/82/14/77/1192821477.db2.gz LIIAUVZIEHWYQT-CEXWTWQISA-N 1 3 386.496 0.072 20 0 GCADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419163019 1192821797 /nfs/dbraw/zinc/82/17/97/1192821797.db2.gz IOWRXASHSHQLJO-GUDVDZBRSA-N 1 3 388.512 0.637 20 0 GCADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419165301 1192822574 /nfs/dbraw/zinc/82/25/74/1192822574.db2.gz NILSWADMZLPTFD-IEBWSBKVSA-N 1 3 388.512 0.510 20 0 GCADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419166113 1192822636 /nfs/dbraw/zinc/82/26/36/1192822636.db2.gz OJSVJJJAJWLDLL-OALUTQOASA-N 1 3 388.512 0.510 20 0 GCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419167286 1192823187 /nfs/dbraw/zinc/82/31/87/1192823187.db2.gz QKJRVEMHRKLNBB-OALUTQOASA-N 1 3 388.512 0.462 20 0 GCADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419156029 1192825114 /nfs/dbraw/zinc/82/51/14/1192825114.db2.gz BRGPQQCOOFVHKN-OALUTQOASA-N 1 3 390.528 0.835 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC[C@H]1[NH3+] ZINC000419168355 1192829732 /nfs/dbraw/zinc/82/97/32/1192829732.db2.gz RSQAKNYAORHXGB-BHIYHBOVSA-N 1 3 388.512 0.589 20 0 GCADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419196006 1192833219 /nfs/dbraw/zinc/83/32/19/1192833219.db2.gz AEFWIUKVPMTHDX-VQIMIIECSA-N 1 3 388.512 0.782 20 0 GCADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419196006 1192833226 /nfs/dbraw/zinc/83/32/26/1192833226.db2.gz AEFWIUKVPMTHDX-VQIMIIECSA-N 1 3 388.512 0.782 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000419181054 1192833280 /nfs/dbraw/zinc/83/32/80/1192833280.db2.gz KLOLVNHWCZUCRF-ZWKOTPCHSA-N 1 3 393.576 0.509 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893742963 1192848736 /nfs/dbraw/zinc/84/87/36/1192848736.db2.gz NPJHTLDQKMTBGZ-OKYOBFRVSA-N 1 3 380.533 0.605 20 0 GCADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512584409 1192911592 /nfs/dbraw/zinc/91/15/92/1192911592.db2.gz XYJAGVOFZNUGMU-OALUTQOASA-N 1 3 383.581 0.939 20 0 GCADHO CCN(CCO)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000274525336 1184087280 /nfs/dbraw/zinc/08/72/80/1184087280.db2.gz ZAUBILMNUTVADV-UHFFFAOYSA-N 1 3 391.516 0.197 20 0 GCADHO CCN(CCO)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000274525336 1184087286 /nfs/dbraw/zinc/08/72/86/1184087286.db2.gz ZAUBILMNUTVADV-UHFFFAOYSA-N 1 3 391.516 0.197 20 0 GCADHO CCN1CCC([NH+]2CCC(C(=O)N3CCN(Cc4nnc[nH]4)CC3)CC2)CC1 ZINC000655163664 1184317227 /nfs/dbraw/zinc/31/72/27/1184317227.db2.gz CITBJZJFGZAPHE-UHFFFAOYSA-N 1 3 389.548 0.645 20 0 GCADHO Cc1cc(O)cc(=O)n1CCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000275685435 1184931569 /nfs/dbraw/zinc/93/15/69/1184931569.db2.gz HNYNNAGILMHLDJ-UHFFFAOYSA-N 1 3 376.501 0.927 20 0 GCADHO C[C@H](N1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1)C(F)(F)F ZINC000580045181 1185032148 /nfs/dbraw/zinc/03/21/48/1185032148.db2.gz QDNWFAPJBGWHNK-AWEZNQCLSA-N 1 3 395.470 0.033 20 0 GCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCCO1 ZINC000580354456 1185196267 /nfs/dbraw/zinc/19/62/67/1185196267.db2.gz DXLKCMMDLLLCFZ-ROUUACIJSA-N 1 3 380.533 0.690 20 0 GCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCCO1 ZINC000580354456 1185196270 /nfs/dbraw/zinc/19/62/70/1185196270.db2.gz DXLKCMMDLLLCFZ-ROUUACIJSA-N 1 3 380.533 0.690 20 0 GCADHO CC(C)(CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCCCC1 ZINC000580476858 1185245293 /nfs/dbraw/zinc/24/52/93/1185245293.db2.gz MFAPTKQKHCGKAK-QZTJIDSGSA-N 1 3 394.560 0.861 20 0 GCADHO COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000580722844 1185315206 /nfs/dbraw/zinc/31/52/06/1185315206.db2.gz HMFOPKADOOWIMP-WOJBJXKFSA-N 1 3 384.565 0.192 20 0 GCADHO COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000580722844 1185315213 /nfs/dbraw/zinc/31/52/13/1185315213.db2.gz HMFOPKADOOWIMP-WOJBJXKFSA-N 1 3 384.565 0.192 20 0 GCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656308849 1185383702 /nfs/dbraw/zinc/38/37/02/1185383702.db2.gz JGXFECWSNLUSJB-MSOLQXFVSA-N 1 3 380.533 0.737 20 0 GCADHO N[C@@H]1C[C@H]2CN(C(=O)NCC3([NH+]4CCSCC4)CCCC3)CCN2C1=O ZINC000580904537 1185411309 /nfs/dbraw/zinc/41/13/09/1185411309.db2.gz WFLSDIOLOXXBIW-LSDHHAIUSA-N 1 3 381.546 0.301 20 0 GCADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656354128 1185448867 /nfs/dbraw/zinc/44/88/67/1185448867.db2.gz FCWPMHWQZFYUCU-RCCFBDPRSA-N 1 3 380.533 0.689 20 0 GCADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656361022 1185464324 /nfs/dbraw/zinc/46/43/24/1185464324.db2.gz XMOQILZOXYLMKR-QZTJIDSGSA-N 1 3 382.549 0.936 20 0 GCADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656361024 1185464623 /nfs/dbraw/zinc/46/46/23/1185464623.db2.gz XMOQILZOXYLMKR-ZWKOTPCHSA-N 1 3 382.549 0.936 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(OC)nc1 ZINC000276028563 1185500905 /nfs/dbraw/zinc/50/09/05/1185500905.db2.gz OCDYPEAUYJLGBB-MRXNPFEDSA-N 1 3 377.489 0.903 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(OC)nc1 ZINC000276028563 1185500910 /nfs/dbraw/zinc/50/09/10/1185500910.db2.gz OCDYPEAUYJLGBB-MRXNPFEDSA-N 1 3 377.489 0.903 20 0 GCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000581451568 1185697877 /nfs/dbraw/zinc/69/78/77/1185697877.db2.gz IQOCWQRLOHDGSI-NJAFHUGGSA-N 1 3 380.533 0.471 20 0 GCADHO CN(CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Cc1ccccc1 ZINC000891412299 1185711571 /nfs/dbraw/zinc/71/15/71/1185711571.db2.gz JAMATELLHPRZGW-KURKYZTESA-N 1 3 387.484 0.695 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891484813 1185888412 /nfs/dbraw/zinc/88/84/12/1185888412.db2.gz YDLXDBQEJHTVLN-SJORKVTESA-N 1 3 395.548 0.387 20 0 GCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000891536522 1185910090 /nfs/dbraw/zinc/91/00/90/1185910090.db2.gz SRLQOBVYDWDUTI-LJQANCHMSA-N 1 3 387.528 0.943 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000419902940 1185978361 /nfs/dbraw/zinc/97/83/61/1185978361.db2.gz WFUGXVLUARPUOX-DLBZAZTESA-N 1 3 376.501 0.972 20 0 GCADHO CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000431012238 1186100949 /nfs/dbraw/zinc/10/09/49/1186100949.db2.gz DTVUKDIBUPTGGU-UHFFFAOYSA-N 1 3 379.549 0.121 20 0 GCADHO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000431044760 1186113366 /nfs/dbraw/zinc/11/33/66/1186113366.db2.gz XVSIZZWXTDDCFM-UHFFFAOYSA-N 1 3 398.515 0.087 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000582203709 1186462820 /nfs/dbraw/zinc/46/28/20/1186462820.db2.gz QCCZDIGNWWEFFJ-IPMKNSEASA-N 1 3 392.544 0.567 20 0 GCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000582256241 1186476496 /nfs/dbraw/zinc/47/64/96/1186476496.db2.gz KCKFZCPLHZQPTQ-RTBURBONSA-N 1 3 395.592 0.613 20 0 GCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000582256241 1186476499 /nfs/dbraw/zinc/47/64/99/1186476499.db2.gz KCKFZCPLHZQPTQ-RTBURBONSA-N 1 3 395.592 0.613 20 0 GCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000582532604 1186558948 /nfs/dbraw/zinc/55/89/48/1186558948.db2.gz BWHHZNARDRPRRO-RBUKOAKNSA-N 1 3 393.576 0.556 20 0 GCADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000582624756 1186588103 /nfs/dbraw/zinc/58/81/03/1186588103.db2.gz QZVQDUQSIXVLLZ-UHFFFAOYSA-N 1 3 395.592 0.707 20 0 GCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000582624756 1186588106 /nfs/dbraw/zinc/58/81/06/1186588106.db2.gz QZVQDUQSIXVLLZ-UHFFFAOYSA-N 1 3 395.592 0.707 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CCC(OC)CC2)CC1=O ZINC000079670340 1186680196 /nfs/dbraw/zinc/68/01/96/1186680196.db2.gz HISJFFVSHCUVGI-SJORKVTESA-N 1 3 380.533 0.546 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CCC(OC)CC2)CC1=O ZINC000079670340 1186680198 /nfs/dbraw/zinc/68/01/98/1186680198.db2.gz HISJFFVSHCUVGI-SJORKVTESA-N 1 3 380.533 0.546 20 0 GCADHO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[NH2+]CC3(N)CCC3)CC2)cc1 ZINC000583322690 1186824748 /nfs/dbraw/zinc/82/47/48/1186824748.db2.gz UAKBJPZSTYNUEC-INIZCTEOSA-N 1 3 394.541 0.687 20 0 GCADHO CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000278328257 1186890257 /nfs/dbraw/zinc/89/02/57/1186890257.db2.gz VYKAXUOLQONXHH-QZTJIDSGSA-N 1 3 375.517 0.806 20 0 GCADHO CN1CCN(C)[C@H](CNC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000583621690 1186902181 /nfs/dbraw/zinc/90/21/81/1186902181.db2.gz VWDUMCHJLRBYJR-SJORKVTESA-N 1 3 395.935 0.421 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000583980408 1186971879 /nfs/dbraw/zinc/97/18/79/1186971879.db2.gz OULAJTDAEXDEMX-SFHVURJKSA-N 1 3 375.517 0.651 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000583984832 1186973218 /nfs/dbraw/zinc/97/32/18/1186973218.db2.gz XVLRANIZAGZMLM-UHFFFAOYSA-N 1 3 382.455 0.971 20 0 GCADHO CCN1CCN(C(=O)CC2CC[NH+](C[C@@H](O)CN(C)CCOC)CC2)CC1 ZINC000584002199 1186977364 /nfs/dbraw/zinc/97/73/64/1186977364.db2.gz PHJFYRIXEZTDIK-IBGZPJMESA-N 1 3 384.565 0.192 20 0 GCADHO CCN1CCN(C(=O)CC2CCN(C[C@@H](O)C[N@H+](C)CCOC)CC2)CC1 ZINC000584002199 1186977365 /nfs/dbraw/zinc/97/73/65/1186977365.db2.gz PHJFYRIXEZTDIK-IBGZPJMESA-N 1 3 384.565 0.192 20 0 GCADHO CCN1CCN(C(=O)CC2CCN(C[C@@H](O)C[N@@H+](C)CCOC)CC2)CC1 ZINC000584002199 1186977367 /nfs/dbraw/zinc/97/73/67/1186977367.db2.gz PHJFYRIXEZTDIK-IBGZPJMESA-N 1 3 384.565 0.192 20 0 GCADHO COc1ccccc1N1CC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1=O ZINC000151598008 1186997600 /nfs/dbraw/zinc/99/76/00/1186997600.db2.gz AONIGTRKFYUZIC-GOSISDBHSA-N 1 3 390.528 0.780 20 0 GCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611840124 1187047467 /nfs/dbraw/zinc/04/74/67/1187047467.db2.gz ZTARILXRHDSGAT-DLBZAZTESA-N 1 3 380.533 0.593 20 0 GCADHO CO[C@H](C[NH3+])C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000584408555 1187054180 /nfs/dbraw/zinc/05/41/80/1187054180.db2.gz DEEROUYBYOQFEI-GOSISDBHSA-N 1 3 376.501 0.447 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000612046032 1187245307 /nfs/dbraw/zinc/24/53/07/1187245307.db2.gz XWSGDMCAKPYCHY-KZNAEPCWSA-N 1 3 378.517 0.489 20 0 GCADHO Cc1ccccc1[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000569933487 1187483095 /nfs/dbraw/zinc/48/30/95/1187483095.db2.gz IYNRGIQXIRZECG-LJQANCHMSA-N 1 3 390.528 0.847 20 0 GCADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612447320 1187493758 /nfs/dbraw/zinc/49/37/58/1187493758.db2.gz PGZFAHJHQACBMB-MJGOQNOKSA-N 1 3 392.544 0.879 20 0 GCADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612447320 1187493762 /nfs/dbraw/zinc/49/37/62/1187493762.db2.gz PGZFAHJHQACBMB-MJGOQNOKSA-N 1 3 392.544 0.879 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000612485156 1187505383 /nfs/dbraw/zinc/50/53/83/1187505383.db2.gz KWTDEKGVWONYPA-KRWDZBQOSA-N 1 3 382.549 0.792 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](CO)CN2CCCCC2)CC1=O ZINC000413822559 1187529612 /nfs/dbraw/zinc/52/96/12/1187529612.db2.gz UHTFSQUDFQIMGL-OKZBNKHCSA-N 1 3 380.533 0.282 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](CO)CN2CCCCC2)CC1=O ZINC000413822559 1187529615 /nfs/dbraw/zinc/52/96/15/1187529615.db2.gz UHTFSQUDFQIMGL-OKZBNKHCSA-N 1 3 380.533 0.282 20 0 GCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN([C@H]4CCOC4)CC3)CC[C@@H]21 ZINC000612595565 1187534793 /nfs/dbraw/zinc/53/47/93/1187534793.db2.gz IVLUNMHEPCZXRS-NJAFHUGGSA-N 1 3 378.517 0.299 20 0 GCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN([C@H]4CCOC4)CC3)CC[C@@H]21 ZINC000612595565 1187534799 /nfs/dbraw/zinc/53/47/99/1187534799.db2.gz IVLUNMHEPCZXRS-NJAFHUGGSA-N 1 3 378.517 0.299 20 0 GCADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000612601286 1187539395 /nfs/dbraw/zinc/53/93/95/1187539395.db2.gz PDFKPRLKZKOBSH-IBGZPJMESA-N 1 3 394.560 0.935 20 0 GCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000612601286 1187539398 /nfs/dbraw/zinc/53/93/98/1187539398.db2.gz PDFKPRLKZKOBSH-IBGZPJMESA-N 1 3 394.560 0.935 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612777018 1187580115 /nfs/dbraw/zinc/58/01/15/1187580115.db2.gz RERPUGQYOQRPHI-LJQANCHMSA-N 1 3 394.560 0.794 20 0 GCADHO CN1CCC([NH+]2CCC(NC(=O)N3CCN(C)CCN(C)CC3)CC2)CC1 ZINC000892522389 1187666775 /nfs/dbraw/zinc/66/67/75/1187666775.db2.gz ZLGDTGMGNJWFDF-UHFFFAOYSA-N 1 3 380.581 0.434 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)CC2)CC1 ZINC000549046263 1187795333 /nfs/dbraw/zinc/79/53/33/1187795333.db2.gz JSKSQACIIHTZIZ-ROUUACIJSA-N 1 3 377.533 0.998 20 0 GCADHO C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)CC2)C[C@@H](C)O1 ZINC000658993222 1187833953 /nfs/dbraw/zinc/83/39/53/1187833953.db2.gz IXRAWMYAAIFPMH-LMMKCTJWSA-N 1 3 392.544 0.641 20 0 GCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000659112751 1187889285 /nfs/dbraw/zinc/88/92/85/1187889285.db2.gz KYJRQMSMDFVNRE-NVXWUHKLSA-N 1 3 384.484 0.993 20 0 GCADHO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@H]3CN4CCN3CCC4)cc2)CC1 ZINC000536537845 1187891294 /nfs/dbraw/zinc/89/12/94/1187891294.db2.gz QZDCXXMKLLPRCU-HXUWFJFHSA-N 1 3 399.539 0.755 20 0 GCADHO CC(C)CN1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000659345046 1187945300 /nfs/dbraw/zinc/94/53/00/1187945300.db2.gz UZPGSTWEMYWPAX-LJQANCHMSA-N 1 3 393.576 0.414 20 0 GCADHO CC(C)CN1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000659345046 1187945305 /nfs/dbraw/zinc/94/53/05/1187945305.db2.gz UZPGSTWEMYWPAX-LJQANCHMSA-N 1 3 393.576 0.414 20 0 GCADHO CC(C)CN1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000659345046 1187945306 /nfs/dbraw/zinc/94/53/06/1187945306.db2.gz UZPGSTWEMYWPAX-LJQANCHMSA-N 1 3 393.576 0.414 20 0 GCADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)CC2)C1 ZINC000659345152 1187945365 /nfs/dbraw/zinc/94/53/65/1187945365.db2.gz DAMVUSZAYXRWFN-RTBURBONSA-N 1 3 391.560 0.312 20 0 GCADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)CC2)C1 ZINC000659345152 1187945368 /nfs/dbraw/zinc/94/53/68/1187945368.db2.gz DAMVUSZAYXRWFN-RTBURBONSA-N 1 3 391.560 0.312 20 0 GCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)CC2)C1 ZINC000659345144 1187945534 /nfs/dbraw/zinc/94/55/34/1187945534.db2.gz DAMVUSZAYXRWFN-OALUTQOASA-N 1 3 391.560 0.312 20 0 GCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)CC2)C1 ZINC000659345144 1187945536 /nfs/dbraw/zinc/94/55/36/1187945536.db2.gz DAMVUSZAYXRWFN-OALUTQOASA-N 1 3 391.560 0.312 20 0 GCADHO CN(C(=O)C(=O)N1CCN(CC2CC2)CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344826 1187945998 /nfs/dbraw/zinc/94/59/98/1187945998.db2.gz LFZNCXUBWCVMDM-IBGZPJMESA-N 1 3 391.560 0.168 20 0 GCADHO CN(C(=O)C(=O)N1CCN(CC2CC2)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344826 1187946001 /nfs/dbraw/zinc/94/60/01/1187946001.db2.gz LFZNCXUBWCVMDM-IBGZPJMESA-N 1 3 391.560 0.168 20 0 GCADHO COCCN1CCC(NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000580221845 1187971811 /nfs/dbraw/zinc/97/18/11/1187971811.db2.gz RKCDAPSTNKQKCS-CALCHBBNSA-N 1 3 382.549 0.698 20 0 GCADHO COCCN1CCC(NC(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000580221845 1187971814 /nfs/dbraw/zinc/97/18/14/1187971814.db2.gz RKCDAPSTNKQKCS-CALCHBBNSA-N 1 3 382.549 0.698 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000659630296 1187978613 /nfs/dbraw/zinc/97/86/13/1187978613.db2.gz OEZQSNBFRAFKCZ-IYBDPMFKSA-N 1 3 382.468 0.914 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000659630296 1187978616 /nfs/dbraw/zinc/97/86/16/1187978616.db2.gz OEZQSNBFRAFKCZ-IYBDPMFKSA-N 1 3 382.468 0.914 20 0 GCADHO COCCN1CCC(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659680881 1187993484 /nfs/dbraw/zinc/99/34/84/1187993484.db2.gz UAFVDXJDSMHPPF-KRWDZBQOSA-N 1 3 380.533 0.452 20 0 GCADHO [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCCC1 ZINC000659686995 1187997777 /nfs/dbraw/zinc/99/77/77/1187997777.db2.gz BKLCGZIUWPXRPQ-SFHVURJKSA-N 1 3 388.512 0.781 20 0 GCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000659697974 1187999520 /nfs/dbraw/zinc/99/95/20/1187999520.db2.gz MINLTHGFOGVDJW-KRWDZBQOSA-N 1 3 375.517 0.035 20 0 GCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000659706489 1188002141 /nfs/dbraw/zinc/00/21/41/1188002141.db2.gz LZFKUQDLMNGEBF-UHFFFAOYSA-N 1 3 376.501 0.455 20 0 GCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659726930 1188013991 /nfs/dbraw/zinc/01/39/91/1188013991.db2.gz CYUKJAUQKWVSBM-MOPGFXCFSA-N 1 3 385.512 0.763 20 0 GCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000659729930 1188015463 /nfs/dbraw/zinc/01/54/63/1188015463.db2.gz QNSXWDNZNXMBEL-VQIMIIECSA-N 1 3 387.528 0.853 20 0 GCADHO O=C(CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)NCCN1CCCCC1 ZINC000909322706 1188055134 /nfs/dbraw/zinc/05/51/34/1188055134.db2.gz JUEPYCUUBJLKDQ-OAQYLSRUSA-N 1 3 388.512 0.342 20 0 GCADHO O=C(CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)NCCN1CCCCC1 ZINC000909322706 1188055141 /nfs/dbraw/zinc/05/51/41/1188055141.db2.gz JUEPYCUUBJLKDQ-OAQYLSRUSA-N 1 3 388.512 0.342 20 0 GCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000415430504 1188078881 /nfs/dbraw/zinc/07/88/81/1188078881.db2.gz RIFJKHAZUXCSFC-OAHLLOKOSA-N 1 3 377.489 0.983 20 0 GCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c(C)c2)CC1 ZINC000415670579 1188137084 /nfs/dbraw/zinc/13/70/84/1188137084.db2.gz HWFNQWQTMNMIMA-CALCHBBNSA-N 1 3 385.512 0.753 20 0 GCADHO CN(C)CCn1nccc1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000415760155 1188158131 /nfs/dbraw/zinc/15/81/31/1188158131.db2.gz RQAVRLNVPYASRZ-LBPRGKRZSA-N 1 3 377.415 0.402 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000415813295 1189369136 /nfs/dbraw/zinc/36/91/36/1189369136.db2.gz FVWAMMQQEMNXFR-MJGOQNOKSA-N 1 3 385.512 0.583 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)c2)CC1 ZINC000415873420 1189391352 /nfs/dbraw/zinc/39/13/52/1189391352.db2.gz UULPVWACVOMJOZ-SJORKVTESA-N 1 3 385.512 0.835 20 0 GCADHO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CN4CCN3CCC4)cc2)C1 ZINC000378320662 1189475367 /nfs/dbraw/zinc/47/53/67/1189475367.db2.gz VOEDIVLGSHRSPN-PKOBYXMFSA-N 1 3 385.512 0.712 20 0 GCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CN4CCN3CCC4)cc2)C1 ZINC000378320662 1189475372 /nfs/dbraw/zinc/47/53/72/1189475372.db2.gz VOEDIVLGSHRSPN-PKOBYXMFSA-N 1 3 385.512 0.712 20 0 GCADHO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)O1 ZINC000378437376 1189509260 /nfs/dbraw/zinc/50/92/60/1189509260.db2.gz SIIWYQQNUREZMV-ZWKOTPCHSA-N 1 3 395.548 0.480 20 0 GCADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000511571527 1189558909 /nfs/dbraw/zinc/55/89/09/1189558909.db2.gz HCQAYJJWTXTCDH-MJGOQNOKSA-N 1 3 390.528 0.660 20 0 GCADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000416854255 1189588944 /nfs/dbraw/zinc/58/89/44/1189588944.db2.gz UZQIKQJQBWMDHN-MSOLQXFVSA-N 1 3 375.517 0.656 20 0 GCADHO CN1CC[NH2+]C[C@H]1CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417021403 1189608347 /nfs/dbraw/zinc/60/83/47/1189608347.db2.gz NDDXECQYFMNFSR-FQEVSTJZSA-N 1 3 388.560 0.397 20 0 GCADHO CN1CCN(CCCNC(=O)NC[C@@H]2C[NH2+]CCN2C)[C@H](c2ccccc2)C1 ZINC000417022145 1189608802 /nfs/dbraw/zinc/60/88/02/1189608802.db2.gz NXFPCMVIBZQFTN-PMACEKPBSA-N 1 3 388.560 0.568 20 0 GCADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000417153673 1189624614 /nfs/dbraw/zinc/62/46/14/1189624614.db2.gz PCHYBEFDCMEEAE-IBGZPJMESA-N 1 3 375.517 0.876 20 0 GCADHO O=C(NCCCN1CC[NH2+]CC1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418076685 1189718718 /nfs/dbraw/zinc/71/87/18/1189718718.db2.gz ROGBBMAUWZPGLF-FQEVSTJZSA-N 1 3 389.544 0.872 20 0 GCADHO CN1CCN(CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(C)C ZINC000418179253 1189734798 /nfs/dbraw/zinc/73/47/98/1189734798.db2.gz XKHSIODIMOVKQH-CQSZACIVSA-N 1 3 394.486 0.148 20 0 GCADHO C[NH2+]CCNC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000418321468 1189758768 /nfs/dbraw/zinc/75/87/68/1189758768.db2.gz ZDPYMQXEERJOBV-UHFFFAOYSA-N 1 3 375.517 0.876 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693624 1189775580 /nfs/dbraw/zinc/77/55/80/1189775580.db2.gz YTUWTNGVGCPFFP-XSLAGTTESA-N 1 3 394.560 0.968 20 0 GCADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419223894 1193723239 /nfs/dbraw/zinc/72/32/39/1193723239.db2.gz YWMPOGOFFGMSGZ-VQIMIIECSA-N 1 3 388.512 0.639 20 0 GCADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419223894 1193723242 /nfs/dbraw/zinc/72/32/42/1193723242.db2.gz YWMPOGOFFGMSGZ-VQIMIIECSA-N 1 3 388.512 0.639 20 0 GCADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419223893 1193723335 /nfs/dbraw/zinc/72/33/35/1193723335.db2.gz YWMPOGOFFGMSGZ-QFBILLFUSA-N 1 3 388.512 0.639 20 0 GCADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419223893 1193723341 /nfs/dbraw/zinc/72/33/41/1193723341.db2.gz YWMPOGOFFGMSGZ-QFBILLFUSA-N 1 3 388.512 0.639 20 0 GCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512676257 1193731514 /nfs/dbraw/zinc/73/15/14/1193731514.db2.gz BLPICGWGVFJQKI-MOPGFXCFSA-N 1 3 383.581 0.796 20 0 GCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512676257 1193731522 /nfs/dbraw/zinc/73/15/22/1193731522.db2.gz BLPICGWGVFJQKI-MOPGFXCFSA-N 1 3 383.581 0.796 20 0 GCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419233198 1193744369 /nfs/dbraw/zinc/74/43/69/1193744369.db2.gz VQPUBNBLERPTJN-JFRXWTBNSA-N 1 3 388.512 0.364 20 0 GCADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419233198 1193744373 /nfs/dbraw/zinc/74/43/73/1193744373.db2.gz VQPUBNBLERPTJN-JFRXWTBNSA-N 1 3 388.512 0.364 20 0 GCADHO CN(C(=O)NC[C@@H]1CNCCO1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000333138444 1193817530 /nfs/dbraw/zinc/81/75/30/1193817530.db2.gz BZBCTXOVISKYOX-IPMKNSEASA-N 1 3 381.565 0.953 20 0 GCADHO CN(C(=O)NC[C@@H]1CNCCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000333138444 1193817533 /nfs/dbraw/zinc/81/75/33/1193817533.db2.gz BZBCTXOVISKYOX-IPMKNSEASA-N 1 3 381.565 0.953 20 0 GCADHO CN(C(=O)NC[C@H]1CNCCO1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000333138442 1193817875 /nfs/dbraw/zinc/81/78/75/1193817875.db2.gz BZBCTXOVISKYOX-GUDVDZBRSA-N 1 3 381.565 0.953 20 0 GCADHO CN(C(=O)NC[C@H]1CNCCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000333138442 1193817879 /nfs/dbraw/zinc/81/78/79/1193817879.db2.gz BZBCTXOVISKYOX-GUDVDZBRSA-N 1 3 381.565 0.953 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000419329440 1193822536 /nfs/dbraw/zinc/82/25/36/1193822536.db2.gz FJCDNOIIWFIZTO-LJQANCHMSA-N 1 3 387.528 0.309 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419335755 1193828899 /nfs/dbraw/zinc/82/88/99/1193828899.db2.gz JYVXRQRHRREBOF-INIZCTEOSA-N 1 3 375.517 0.151 20 0 GCADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)Cc1ccccc1 ZINC000419336840 1193832521 /nfs/dbraw/zinc/83/25/21/1193832521.db2.gz AWBZOBGKRYPSDY-QZTJIDSGSA-N 1 3 376.501 0.160 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000419346085 1193841628 /nfs/dbraw/zinc/84/16/28/1193841628.db2.gz UVCJULOLCFIYCS-IBGZPJMESA-N 1 3 387.528 0.248 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000419349980 1193845292 /nfs/dbraw/zinc/84/52/92/1193845292.db2.gz YWJGBZZJWZHAAB-QGZVFWFLSA-N 1 3 387.528 0.248 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433457644 1193860879 /nfs/dbraw/zinc/86/08/79/1193860879.db2.gz QEFKGOXLXSJFNP-SFHVURJKSA-N 1 3 397.564 0.683 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433457644 1193860881 /nfs/dbraw/zinc/86/08/81/1193860881.db2.gz QEFKGOXLXSJFNP-SFHVURJKSA-N 1 3 397.564 0.683 20 0 GCADHO CC(C)c1ncc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000571381873 1193862766 /nfs/dbraw/zinc/86/27/66/1193862766.db2.gz QFAPCECXIWXOOA-UHFFFAOYSA-N 1 3 378.521 0.510 20 0 GCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)Cc2ccccc2C1 ZINC000419373018 1193876404 /nfs/dbraw/zinc/87/64/04/1193876404.db2.gz LWZZTNQNNAWRPV-FHWLQOOXSA-N 1 3 384.524 0.788 20 0 GCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000263077236 1193961791 /nfs/dbraw/zinc/96/17/91/1193961791.db2.gz CQAUSOGHWLNKLD-FQEVSTJZSA-N 1 3 389.544 0.362 20 0 GCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000263077236 1193961793 /nfs/dbraw/zinc/96/17/93/1193961793.db2.gz CQAUSOGHWLNKLD-FQEVSTJZSA-N 1 3 389.544 0.362 20 0 GCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000419402277 1194020175 /nfs/dbraw/zinc/02/01/75/1194020175.db2.gz CBKPLFXETVIFEK-NJAFHUGGSA-N 1 3 380.533 0.579 20 0 GCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000419419709 1194022428 /nfs/dbraw/zinc/02/24/28/1194022428.db2.gz MIEQBBOHUGZSNO-LJQANCHMSA-N 1 3 387.528 0.260 20 0 GCADHO [NH3+][C@H](CNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000419421710 1194023524 /nfs/dbraw/zinc/02/35/24/1194023524.db2.gz PJHFHZKUMNLVPR-LJQANCHMSA-N 1 3 387.528 0.164 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419420925 1194024297 /nfs/dbraw/zinc/02/42/97/1194024297.db2.gz NYRBVUNNVJNKIJ-RTBURBONSA-N 1 3 387.528 0.350 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419421005 1194024397 /nfs/dbraw/zinc/02/43/97/1194024397.db2.gz OECMRPLBQLSSEF-LJQANCHMSA-N 1 3 387.528 0.179 20 0 GCADHO CC[NH2+]CCNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419424307 1194025257 /nfs/dbraw/zinc/02/52/57/1194025257.db2.gz SXZLQDHJKYJHBY-GOSISDBHSA-N 1 3 375.517 0.207 20 0 GCADHO COCC[C@H](C)NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419444406 1194035761 /nfs/dbraw/zinc/03/57/61/1194035761.db2.gz XNRTUOMDVGYAJA-INIZCTEOSA-N 1 3 376.501 0.637 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)c1 ZINC000419514628 1194051986 /nfs/dbraw/zinc/05/19/86/1194051986.db2.gz PDUCWKHCMLVIQQ-SFHVURJKSA-N 1 3 389.544 0.724 20 0 GCADHO O=C(NCCN1CCC2(CCCCC2)CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419678041 1194080074 /nfs/dbraw/zinc/08/00/74/1194080074.db2.gz OFNFXHDBAJWALZ-KRWDZBQOSA-N 1 3 380.533 0.644 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000419750100 1194096319 /nfs/dbraw/zinc/09/63/19/1194096319.db2.gz IEDNWCYXPOFZDA-UHFFFAOYSA-N 1 3 390.528 0.980 20 0 GCADHO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000419759969 1194099193 /nfs/dbraw/zinc/09/91/93/1194099193.db2.gz YVESTYCLTCDRKN-DZGCQCFKSA-N 1 3 384.521 0.221 20 0 GCADHO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000419759974 1194099248 /nfs/dbraw/zinc/09/92/48/1194099248.db2.gz YVESTYCLTCDRKN-ZFWWWQNUSA-N 1 3 384.521 0.221 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000419760273 1194100939 /nfs/dbraw/zinc/10/09/39/1194100939.db2.gz ZIXVMSDBNOKGIP-GOSISDBHSA-N 1 3 394.560 0.983 20 0 GCADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419850875 1194114693 /nfs/dbraw/zinc/11/46/93/1194114693.db2.gz HVUOZZNEJNMGLX-LJQANCHMSA-N 1 3 387.528 0.351 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419838540 1194118192 /nfs/dbraw/zinc/11/81/92/1194118192.db2.gz GAEUDPCQHSWGMF-JFIYKMOQSA-N 1 3 380.533 0.593 20 0 GCADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000419874177 1194128950 /nfs/dbraw/zinc/12/89/50/1194128950.db2.gz NHBVIPZOJSFBBN-YTQUADARSA-N 1 3 386.496 0.564 20 0 GCADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000419876531 1194130057 /nfs/dbraw/zinc/13/00/57/1194130057.db2.gz WCEZTJVXHJFRRA-LJQANCHMSA-N 1 3 387.528 0.351 20 0 GCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419902682 1194137571 /nfs/dbraw/zinc/13/75/71/1194137571.db2.gz GAEUDPCQHSWGMF-XYJFISCASA-N 1 3 380.533 0.593 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419915440 1194138044 /nfs/dbraw/zinc/13/80/44/1194138044.db2.gz PMEVVVJTRASYRQ-AWEZNQCLSA-N 1 3 382.455 0.971 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000419915416 1194138060 /nfs/dbraw/zinc/13/80/60/1194138060.db2.gz PJDOEEQSLFQULX-INIZCTEOSA-N 1 3 376.501 0.701 20 0 GCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419911888 1194142684 /nfs/dbraw/zinc/14/26/84/1194142684.db2.gz KJFVBFMMIKJEQG-MSOLQXFVSA-N 1 3 376.501 0.762 20 0 GCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419911890 1194142880 /nfs/dbraw/zinc/14/28/80/1194142880.db2.gz KJFVBFMMIKJEQG-ROUUACIJSA-N 1 3 376.501 0.762 20 0 GCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419950406 1194143282 /nfs/dbraw/zinc/14/32/82/1194143282.db2.gz MGSWNXZRDAAVDE-ZACQAIPSSA-N 1 3 382.549 0.696 20 0 GCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000419950372 1194143297 /nfs/dbraw/zinc/14/32/97/1194143297.db2.gz MEUQAXOMWGZQBF-GOSISDBHSA-N 1 3 389.544 0.234 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419940751 1194146341 /nfs/dbraw/zinc/14/63/41/1194146341.db2.gz VDWDGOZFAXZHEE-SOLBZPMBSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@H]1CN(CC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419940752 1194146419 /nfs/dbraw/zinc/14/64/19/1194146419.db2.gz VDWDGOZFAXZHEE-XYJFISCASA-N 1 3 380.533 0.593 20 0 GCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419980582 1194151872 /nfs/dbraw/zinc/15/18/72/1194151872.db2.gz RAARNEXFXJOKRX-JFIYKMOQSA-N 1 3 382.549 0.824 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000420030650 1194160306 /nfs/dbraw/zinc/16/03/06/1194160306.db2.gz GPKTWIUPVRKIIN-HOCLYGCPSA-N 1 3 384.521 0.175 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420019079 1194162693 /nfs/dbraw/zinc/16/26/93/1194162693.db2.gz QPVWRUKVLPBGCT-UKBAYJJMSA-N 1 3 394.560 0.968 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1)Cc1ccccc1 ZINC000420059976 1194164549 /nfs/dbraw/zinc/16/45/49/1194164549.db2.gz KDHNDKQKHBRYMJ-LJQANCHMSA-N 1 3 387.528 0.116 20 0 GCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420038944 1194166132 /nfs/dbraw/zinc/16/61/32/1194166132.db2.gz NKMVJZDCNYDGJV-ARFHVFGLSA-N 1 3 384.521 0.175 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420040049 1194166371 /nfs/dbraw/zinc/16/63/71/1194166371.db2.gz KDAZXENCURKKOX-GOSISDBHSA-N 1 3 382.549 0.984 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420049107 1194169507 /nfs/dbraw/zinc/16/95/07/1194169507.db2.gz YCZHXAWXZZDNQO-NVXWUHKLSA-N 1 3 396.532 0.319 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000420111450 1194181538 /nfs/dbraw/zinc/18/15/38/1194181538.db2.gz WUAURXQPYVYLRP-LLGFUMIMSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)C[C@H](C)O1 ZINC000420137168 1194184876 /nfs/dbraw/zinc/18/48/76/1194184876.db2.gz WRYUQSOAMZARQH-IMBTUZDBSA-N 1 3 394.560 0.839 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420141764 1194192797 /nfs/dbraw/zinc/19/27/97/1194192797.db2.gz SFZUEWUESQCLJX-UHFFFAOYSA-N 1 3 380.439 0.891 20 0 GCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000420184620 1194197811 /nfs/dbraw/zinc/19/78/11/1194197811.db2.gz ILIVXNNGVHXQDR-GOSISDBHSA-N 1 3 376.501 0.380 20 0 GCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420168955 1194200082 /nfs/dbraw/zinc/20/00/82/1194200082.db2.gz KWIOMCHCOSCDMI-ZACQAIPSSA-N 1 3 382.549 0.839 20 0 GCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420168953 1194200279 /nfs/dbraw/zinc/20/02/79/1194200279.db2.gz KWIOMCHCOSCDMI-BRWVUGGUSA-N 1 3 382.549 0.839 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000420210717 1194212730 /nfs/dbraw/zinc/21/27/30/1194212730.db2.gz SLQKXRZHFPNIBV-ZAWLATJESA-N 1 3 394.560 0.968 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501651819 1194218564 /nfs/dbraw/zinc/21/85/64/1194218564.db2.gz YLEVNJDUKWASIQ-WMZOPIPTSA-N 1 3 394.560 0.840 20 0 GCADHO NCc1cn([C@H]2CCC[N@H+](CCC(=O)NC(=O)NCc3ccccc3)C2)nn1 ZINC000420387702 1194225687 /nfs/dbraw/zinc/22/56/87/1194225687.db2.gz WFRNOZDCMXVNST-KRWDZBQOSA-N 1 3 385.472 0.790 20 0 GCADHO NCc1cn([C@H]2CCC[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)C2)nn1 ZINC000420387702 1194225692 /nfs/dbraw/zinc/22/56/92/1194225692.db2.gz WFRNOZDCMXVNST-KRWDZBQOSA-N 1 3 385.472 0.790 20 0 GCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652726623 1194348391 /nfs/dbraw/zinc/34/83/91/1194348391.db2.gz DWNKDLQZRNROEB-OKZBNKHCSA-N 1 3 382.549 0.778 20 0 GCADHO C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2)C[C@@H](C)O1 ZINC000422111719 1194392474 /nfs/dbraw/zinc/39/24/74/1194392474.db2.gz DKNAXDIXBZBHBW-LMMKCTJWSA-N 1 3 394.560 0.887 20 0 GCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000422114610 1194393346 /nfs/dbraw/zinc/39/33/46/1194393346.db2.gz JBFXGGSWUKKSER-QGZVFWFLSA-N 1 3 380.533 0.642 20 0 GCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422136089 1194397816 /nfs/dbraw/zinc/39/78/16/1194397816.db2.gz KQHWUNXSEJYWTF-CEXWTWQISA-N 1 3 393.576 0.556 20 0 GCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422136089 1194397821 /nfs/dbraw/zinc/39/78/21/1194397821.db2.gz KQHWUNXSEJYWTF-CEXWTWQISA-N 1 3 393.576 0.556 20 0 GCADHO COCCN(C)CCNC(=O)c1cccc(C(=O)NCC[N@H+](C)CCOC)c1 ZINC000271832091 1194416188 /nfs/dbraw/zinc/41/61/88/1194416188.db2.gz WYKRQBYTXIGSJV-UHFFFAOYSA-N 1 3 394.516 0.303 20 0 GCADHO COCCN(C)CCNC(=O)c1cccc(C(=O)NCC[N@@H+](C)CCOC)c1 ZINC000271832091 1194416192 /nfs/dbraw/zinc/41/61/92/1194416192.db2.gz WYKRQBYTXIGSJV-UHFFFAOYSA-N 1 3 394.516 0.303 20 0 GCADHO COCCN1CC[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000272764475 1194498977 /nfs/dbraw/zinc/49/89/77/1194498977.db2.gz LGDTYPFJOYJHBV-RBUKOAKNSA-N 1 3 376.501 0.773 20 0 GCADHO COCCN1CC[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000272764475 1194498980 /nfs/dbraw/zinc/49/89/80/1194498980.db2.gz LGDTYPFJOYJHBV-RBUKOAKNSA-N 1 3 376.501 0.773 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCCN2C)[C@@H](C)C1 ZINC000422325501 1194614593 /nfs/dbraw/zinc/61/45/93/1194614593.db2.gz KEIAGIWOAMLBKO-KSZLIROESA-N 1 3 382.549 0.792 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCCN2C)[C@@H](C)C1 ZINC000422325501 1194614596 /nfs/dbraw/zinc/61/45/96/1194614596.db2.gz KEIAGIWOAMLBKO-KSZLIROESA-N 1 3 382.549 0.792 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000422325500 1194614829 /nfs/dbraw/zinc/61/48/29/1194614829.db2.gz KEIAGIWOAMLBKO-BZSNNMDCSA-N 1 3 382.549 0.792 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000422325500 1194614832 /nfs/dbraw/zinc/61/48/32/1194614832.db2.gz KEIAGIWOAMLBKO-BZSNNMDCSA-N 1 3 382.549 0.792 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)CC1 ZINC000422396446 1194635818 /nfs/dbraw/zinc/63/58/18/1194635818.db2.gz LDMAGVQFOFNJFQ-SFHVURJKSA-N 1 3 382.549 0.933 20 0 GCADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000422519032 1194659971 /nfs/dbraw/zinc/65/99/71/1194659971.db2.gz OXRNWQSTIICACX-RTBURBONSA-N 1 3 390.528 0.660 20 0 GCADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000422519032 1194659975 /nfs/dbraw/zinc/65/99/75/1194659975.db2.gz OXRNWQSTIICACX-RTBURBONSA-N 1 3 390.528 0.660 20 0 GCADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1CN ZINC000422642515 1194681289 /nfs/dbraw/zinc/68/12/89/1194681289.db2.gz ZMIUTWBFIVGNEY-INMHGKMJSA-N 1 3 396.557 0.688 20 0 GCADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1CN ZINC000422642515 1194681291 /nfs/dbraw/zinc/68/12/91/1194681291.db2.gz ZMIUTWBFIVGNEY-INMHGKMJSA-N 1 3 396.557 0.688 20 0 GCADHO C[C@@H]1C[C@@H](C)N(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422642515 1194681293 /nfs/dbraw/zinc/68/12/93/1194681293.db2.gz ZMIUTWBFIVGNEY-INMHGKMJSA-N 1 3 396.557 0.688 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000423161293 1194734355 /nfs/dbraw/zinc/73/43/55/1194734355.db2.gz IQJZZBXAMVCVOJ-RTBURBONSA-N 1 3 387.528 0.962 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CCC[NH2+]C ZINC000423170109 1194735098 /nfs/dbraw/zinc/73/50/98/1194735098.db2.gz XNCWXESIXZCKQY-GOSISDBHSA-N 1 3 375.517 0.962 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423170793 1194735635 /nfs/dbraw/zinc/73/56/35/1194735635.db2.gz YWMJBJQDTPLIGW-HXUWFJFHSA-N 1 3 376.476 0.928 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423205824 1194736587 /nfs/dbraw/zinc/73/65/87/1194736587.db2.gz PRSJXMXVUHEJRD-GDBMZVCRSA-N 1 3 394.466 0.923 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423200297 1194738512 /nfs/dbraw/zinc/73/85/12/1194738512.db2.gz FJIBRJDLMBASNM-INIZCTEOSA-N 1 3 398.454 0.431 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423199942 1194738848 /nfs/dbraw/zinc/73/88/48/1194738848.db2.gz CYTKSHHGEILYGS-FUHWJXTLSA-N 1 3 376.476 0.926 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423201740 1194738893 /nfs/dbraw/zinc/73/88/93/1194738893.db2.gz JGHQZEFKLVIULG-HNNXBMFYSA-N 1 3 384.427 0.041 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423201741 1194739051 /nfs/dbraw/zinc/73/90/51/1194739051.db2.gz JGHQZEFKLVIULG-OAHLLOKOSA-N 1 3 384.427 0.041 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423204257 1194739443 /nfs/dbraw/zinc/73/94/43/1194739443.db2.gz DGSSDAWNBLKLAB-GOSISDBHSA-N 1 3 380.533 0.546 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423203030 1194739516 /nfs/dbraw/zinc/73/95/16/1194739516.db2.gz BTAZLBYDLGVIAZ-MSOLQXFVSA-N 1 3 380.533 0.404 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423206542 1194739718 /nfs/dbraw/zinc/73/97/18/1194739718.db2.gz GBRBJWXFGAHDFY-MSOLQXFVSA-N 1 3 380.533 0.546 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423206545 1194739731 /nfs/dbraw/zinc/73/97/31/1194739731.db2.gz GBRBJWXFGAHDFY-ZWKOTPCHSA-N 1 3 380.533 0.546 20 0 GCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)C1 ZINC000423258758 1194744437 /nfs/dbraw/zinc/74/44/37/1194744437.db2.gz CGDVIJOCWXOWHR-LJQANCHMSA-N 1 3 387.528 0.083 20 0 GCADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423411492 1194755107 /nfs/dbraw/zinc/75/51/07/1194755107.db2.gz FSRWCGDUBFERFY-KRWDZBQOSA-N 1 3 393.536 0.481 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000423470586 1194758595 /nfs/dbraw/zinc/75/85/95/1194758595.db2.gz DBJPBHWKLZHONG-FQEVSTJZSA-N 1 3 376.501 0.783 20 0 GCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423494843 1194760785 /nfs/dbraw/zinc/76/07/85/1194760785.db2.gz BCLRQBZLCUCPBG-XYJFISCASA-N 1 3 380.533 0.674 20 0 GCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423495089 1194760978 /nfs/dbraw/zinc/76/09/78/1194760978.db2.gz BPNWPBHLZIMUFB-JENIJYKNSA-N 1 3 394.560 0.935 20 0 GCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423511507 1194761860 /nfs/dbraw/zinc/76/18/60/1194761860.db2.gz TYXUIKWRLNFSRM-NTDBWNAOSA-N 1 3 394.560 0.920 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414807186 1194828312 /nfs/dbraw/zinc/82/83/12/1194828312.db2.gz IPXYEVPIKKVFJF-HNNXBMFYSA-N 1 3 389.500 0.657 20 0 GCADHO C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000549991859 1195115593 /nfs/dbraw/zinc/11/55/93/1195115593.db2.gz WKWVRPXWSKYSJC-LJQANCHMSA-N 1 3 388.512 0.604 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCc4nnnn4CC3)CC2)CC1 ZINC000518215161 1195268093 /nfs/dbraw/zinc/26/80/93/1195268093.db2.gz NRQMONHMSVUMAQ-MRXNPFEDSA-N 1 3 375.521 0.691 20 0 GCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000414976081 1195276964 /nfs/dbraw/zinc/27/69/64/1195276964.db2.gz NJKRUDXHGYNIJP-KRWDZBQOSA-N 1 3 387.484 0.110 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000439209400 1195294690 /nfs/dbraw/zinc/29/46/90/1195294690.db2.gz JTIOOFFSNAKQKE-QGZVFWFLSA-N 1 3 391.516 0.507 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000439209400 1195294693 /nfs/dbraw/zinc/29/46/93/1195294693.db2.gz JTIOOFFSNAKQKE-QGZVFWFLSA-N 1 3 391.516 0.507 20 0 GCADHO C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C[C@@H]1O ZINC000664750027 1195316457 /nfs/dbraw/zinc/31/64/57/1195316457.db2.gz QARJFRZQJBLMAR-FHWLQOOXSA-N 1 3 376.501 0.594 20 0 GCADHO Cc1nccn1CCCN(C)C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000297905316 1195350756 /nfs/dbraw/zinc/35/07/56/1195350756.db2.gz WLXNMLGAACVTPQ-UHFFFAOYSA-N 1 3 380.537 0.382 20 0 GCADHO Cc1nccn1CCCN(C)C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000297905316 1195350760 /nfs/dbraw/zinc/35/07/60/1195350760.db2.gz WLXNMLGAACVTPQ-UHFFFAOYSA-N 1 3 380.537 0.382 20 0 GCADHO Cc1nccn1CCCN(C)C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000297905316 1195350764 /nfs/dbraw/zinc/35/07/64/1195350764.db2.gz WLXNMLGAACVTPQ-UHFFFAOYSA-N 1 3 380.537 0.382 20 0 GCADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCCN2C2CCCC2)cn1 ZINC000439969095 1195370432 /nfs/dbraw/zinc/37/04/32/1195370432.db2.gz HGWODBOTZCFSQV-QGZVFWFLSA-N 1 3 376.505 0.906 20 0 GCADHO CN(C)[C@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)C[C@@H]1O ZINC000519615592 1195543549 /nfs/dbraw/zinc/54/35/49/1195543549.db2.gz QVGWHMHCQYYYER-ANULTFPQSA-N 1 3 397.523 0.769 20 0 GCADHO CN(C)[C@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)C[C@@H]1O ZINC000519615592 1195543553 /nfs/dbraw/zinc/54/35/53/1195543553.db2.gz QVGWHMHCQYYYER-ANULTFPQSA-N 1 3 397.523 0.769 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000519667674 1195562924 /nfs/dbraw/zinc/56/29/24/1195562924.db2.gz POCJAKTXVAHUEK-NVXWUHKLSA-N 1 3 380.533 0.733 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000550372659 1195646328 /nfs/dbraw/zinc/64/63/28/1195646328.db2.gz VIDPPWQPSIGFFK-UHFFFAOYSA-N 1 3 376.501 0.796 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)N1CCN(C)CC1 ZINC000550383557 1195651641 /nfs/dbraw/zinc/65/16/41/1195651641.db2.gz MIVOLAJOZNYYEU-MOPGFXCFSA-N 1 3 393.576 0.461 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C(C)C)N1CC[NH+](C)CC1 ZINC000550383749 1195651818 /nfs/dbraw/zinc/65/18/18/1195651818.db2.gz RYWHLHVYUJIJQI-ZWKOTPCHSA-N 1 3 381.565 0.173 20 0 GCADHO NC(=O)COc1ccc(CNC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978451 1195658432 /nfs/dbraw/zinc/65/84/32/1195658432.db2.gz SEZXLXCRJUJNHK-ZWKOTPCHSA-N 1 3 388.512 0.879 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000550423973 1195796869 /nfs/dbraw/zinc/79/68/69/1195796869.db2.gz ZKYKEWYCWGSXQT-UHFFFAOYSA-N 1 3 391.491 0.918 20 0 GCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000474008108 1195827482 /nfs/dbraw/zinc/82/74/82/1195827482.db2.gz JYPATNUBRUFEFX-KRWDZBQOSA-N 1 3 397.564 0.464 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000520771814 1195852503 /nfs/dbraw/zinc/85/25/03/1195852503.db2.gz BSONHHSLKYSYML-RBUKOAKNSA-N 1 3 385.512 0.821 20 0 GCADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000441970571 1195936964 /nfs/dbraw/zinc/93/69/64/1195936964.db2.gz ARUMSZQZSVKVJN-MRXNPFEDSA-N 1 3 389.500 0.390 20 0 GCADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000441970571 1195936966 /nfs/dbraw/zinc/93/69/66/1195936966.db2.gz ARUMSZQZSVKVJN-MRXNPFEDSA-N 1 3 389.500 0.390 20 0 GCADHO C[C@H]1CN(CC2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000521414123 1195995250 /nfs/dbraw/zinc/99/52/50/1195995250.db2.gz VLKPPSAEOXRNTQ-HOTGVXAUSA-N 1 3 380.533 0.450 20 0 GCADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000443061733 1196017530 /nfs/dbraw/zinc/01/75/30/1196017530.db2.gz SLWNJUMFZJGCJF-SFHVURJKSA-N 1 3 388.512 0.836 20 0 GCADHO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443059353 1196018446 /nfs/dbraw/zinc/01/84/46/1196018446.db2.gz MNNJHJIAZWEVJH-OAHLLOKOSA-N 1 3 386.504 0.073 20 0 GCADHO O=C1[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)CCN1c1ccccc1F ZINC000114501911 1196101412 /nfs/dbraw/zinc/10/14/12/1196101412.db2.gz FVXRIGDDIPLMBX-SFHVURJKSA-N 1 3 378.492 0.911 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000114603000 1196105957 /nfs/dbraw/zinc/10/59/57/1196105957.db2.gz DUKCZBJJTXIUNT-GOSISDBHSA-N 1 3 381.565 0.693 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000114603000 1196105958 /nfs/dbraw/zinc/10/59/58/1196105958.db2.gz DUKCZBJJTXIUNT-GOSISDBHSA-N 1 3 381.565 0.693 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000114602564 1196106387 /nfs/dbraw/zinc/10/63/87/1196106387.db2.gz DXAIQTKEUQRDAO-IBGZPJMESA-N 1 3 381.565 0.646 20 0 GCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000114595989 1196106429 /nfs/dbraw/zinc/10/64/29/1196106429.db2.gz MOJNORXRVMXHKD-IBGZPJMESA-N 1 3 383.581 0.796 20 0 GCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000114595989 1196106432 /nfs/dbraw/zinc/10/64/32/1196106432.db2.gz MOJNORXRVMXHKD-IBGZPJMESA-N 1 3 383.581 0.796 20 0 GCADHO CCN1CCC([NH+]2CCC(C(=O)N[C@@H](C)[C@H]3CN(C)CCN3C)CC2)CC1 ZINC000896539738 1196157268 /nfs/dbraw/zinc/15/72/68/1196157268.db2.gz BFTQFCBEJJKVHG-FXAWDEMLSA-N 1 3 379.593 0.933 20 0 GCADHO CCO[C@@H]1C[C@](N)(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000444272349 1196369996 /nfs/dbraw/zinc/36/99/96/1196369996.db2.gz VXHOMAUTMGYCJJ-KDOFPFPSSA-N 1 3 380.493 0.032 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000102050891 1196490971 /nfs/dbraw/zinc/49/09/71/1196490971.db2.gz XOBYARYQPKZCNP-SFHVURJKSA-N 1 3 388.516 0.856 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367146991 1196494630 /nfs/dbraw/zinc/49/46/30/1196494630.db2.gz DPYQJCCPUBFOIM-NRFANRHFSA-N 1 3 385.556 0.700 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367146991 1196494633 /nfs/dbraw/zinc/49/46/33/1196494633.db2.gz DPYQJCCPUBFOIM-NRFANRHFSA-N 1 3 385.556 0.700 20 0 GCADHO CC(C)NS(=O)(=O)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000523883464 1196566299 /nfs/dbraw/zinc/56/62/99/1196566299.db2.gz JFLDPZXDRYIADI-UHFFFAOYSA-N 1 3 389.566 0.172 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000446365046 1196638005 /nfs/dbraw/zinc/63/80/05/1196638005.db2.gz YQNBNRNPYNQKLK-UIVXKWKOSA-N 1 3 380.533 0.578 20 0 GCADHO C[NH+](C)[C@H](CNC(=O)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1 ZINC000429714702 1196692833 /nfs/dbraw/zinc/69/28/33/1196692833.db2.gz HCGKZHPMNBBYSD-RCCFBDPRSA-N 1 3 396.557 0.856 20 0 GCADHO CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000525882689 1196720547 /nfs/dbraw/zinc/72/05/47/1196720547.db2.gz XGFKDGFSSNMTFE-UHFFFAOYSA-N 1 3 397.907 0.590 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000525882654 1196720851 /nfs/dbraw/zinc/72/08/51/1196720851.db2.gz LPINFUITVCOBAG-UHFFFAOYSA-N 1 3 389.500 0.925 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000527124405 1196767202 /nfs/dbraw/zinc/76/72/02/1196767202.db2.gz UOBJXRGJXQZORN-UHFFFAOYSA-N 1 3 390.488 0.107 20 0 GCADHO CCNC(=O)Nc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000527124378 1196767519 /nfs/dbraw/zinc/76/75/19/1196767519.db2.gz ZRFOJLRMRPAQFG-UHFFFAOYSA-N 1 3 392.504 0.718 20 0 GCADHO C[C@H]1Oc2ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc2NC1=O ZINC000527374312 1196784356 /nfs/dbraw/zinc/78/43/56/1196784356.db2.gz SOWUKXQDSGTXIK-CYBMUJFWSA-N 1 3 391.472 0.296 20 0 GCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000530376293 1196983631 /nfs/dbraw/zinc/98/36/31/1196983631.db2.gz YZGLUDQPUMLMIO-UHFFFAOYSA-N 1 3 388.582 0.175 20 0 GCADHO CN1CCN(Cc2ccc(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)cc2)CC1 ZINC000530572108 1196997048 /nfs/dbraw/zinc/99/70/48/1196997048.db2.gz IMEALGLKZMUMJZ-SFHVURJKSA-N 1 3 387.528 0.783 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCCN(CCCO)C2)CC1=O ZINC000452385571 1197055341 /nfs/dbraw/zinc/05/53/41/1197055341.db2.gz UYAXURXXMJEQHC-KZNAEPCWSA-N 1 3 380.533 0.282 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCCN(CCCO)C2)CC1=O ZINC000452385571 1197055345 /nfs/dbraw/zinc/05/53/45/1197055345.db2.gz UYAXURXXMJEQHC-KZNAEPCWSA-N 1 3 380.533 0.282 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCCN(CCCO)C2)CC1=O ZINC000452385569 1197055674 /nfs/dbraw/zinc/05/56/74/1197055674.db2.gz UYAXURXXMJEQHC-FGTMMUONSA-N 1 3 380.533 0.282 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCCN(CCCO)C2)CC1=O ZINC000452385569 1197055677 /nfs/dbraw/zinc/05/56/77/1197055677.db2.gz UYAXURXXMJEQHC-FGTMMUONSA-N 1 3 380.533 0.282 20 0 GCADHO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)CN3CCN(C)CC3)C2)CC1 ZINC000531584719 1197085682 /nfs/dbraw/zinc/08/56/82/1197085682.db2.gz GZIMEUROZXTGCL-RBUKOAKNSA-N 1 3 380.581 0.432 20 0 GCADHO C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)CN1CCN(C)CC1 ZINC000532264897 1197132257 /nfs/dbraw/zinc/13/22/57/1197132257.db2.gz FFMKCTDTZPCBEQ-NZSAHSFTSA-N 1 3 381.565 0.547 20 0 GCADHO C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)CN1CCN(C)CC1 ZINC000532264898 1197132475 /nfs/dbraw/zinc/13/24/75/1197132475.db2.gz FFMKCTDTZPCBEQ-QRQLOZEOSA-N 1 3 381.565 0.547 20 0 GCADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453802061 1197137558 /nfs/dbraw/zinc/13/75/58/1197137558.db2.gz BDRDTUGEYJLTQC-KRWDZBQOSA-N 1 3 376.501 0.958 20 0 GCADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)cc1 ZINC000453804522 1197138461 /nfs/dbraw/zinc/13/84/61/1197138461.db2.gz HZMQGTDLMGLCGR-GOSISDBHSA-N 1 3 376.501 0.692 20 0 GCADHO O=C(NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1[nH]nc2c1CNCC2 ZINC000262770821 1197160762 /nfs/dbraw/zinc/16/07/62/1197160762.db2.gz IVCXGYNLISYZKA-UHFFFAOYSA-N 1 3 396.495 0.811 20 0 GCADHO C(CN1CCC[C@@H]1CN1CCOCC1)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000173690061 1197178261 /nfs/dbraw/zinc/17/82/61/1197178261.db2.gz SNNNOZHJPTWLLU-OYRHEFFESA-N 1 3 380.577 0.970 20 0 GCADHO C(CN1CCC[C@@H]1CN1CCOCC1)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000173690061 1197178264 /nfs/dbraw/zinc/17/82/64/1197178264.db2.gz SNNNOZHJPTWLLU-OYRHEFFESA-N 1 3 380.577 0.970 20 0 GCADHO C(CN1CCC[C@H]1CN1CCOCC1)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000173690061 1197178266 /nfs/dbraw/zinc/17/82/66/1197178266.db2.gz SNNNOZHJPTWLLU-OYRHEFFESA-N 1 3 380.577 0.970 20 0 GCADHO C(CN1CCC[C@H]1CN1CCOCC1)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000173690061 1197178268 /nfs/dbraw/zinc/17/82/68/1197178268.db2.gz SNNNOZHJPTWLLU-OYRHEFFESA-N 1 3 380.577 0.970 20 0 GCADHO CN1CCC([NH+]2CCC(NC(=O)N3CCN(C[C@@H]4CCOC4)CC3)CC2)CC1 ZINC000176048443 1197186376 /nfs/dbraw/zinc/18/63/76/1197186376.db2.gz IOROEGINPQSTCT-SFHVURJKSA-N 1 3 393.576 0.909 20 0 GCADHO Cc1cc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000666283605 1197257557 /nfs/dbraw/zinc/25/75/57/1197257557.db2.gz VKZSZQMAEISAIH-UHFFFAOYSA-N 1 3 393.536 0.942 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729610175 1197308461 /nfs/dbraw/zinc/30/84/61/1197308461.db2.gz DODWOKQGHXQQBE-IKGGRYGDSA-N 1 3 381.521 0.092 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729610175 1197308464 /nfs/dbraw/zinc/30/84/64/1197308464.db2.gz DODWOKQGHXQQBE-IKGGRYGDSA-N 1 3 381.521 0.092 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)CC1 ZINC000124426837 1197352838 /nfs/dbraw/zinc/35/28/38/1197352838.db2.gz FMTGKRLNOJZVAE-ROUUACIJSA-N 1 3 390.528 0.836 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCCN2CCN(C)CC2)CC1=O ZINC000105318860 1197392019 /nfs/dbraw/zinc/39/20/19/1197392019.db2.gz GSRIJXPTUIEFLP-RTBURBONSA-N 1 3 393.576 0.463 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCCN2CCN(C)CC2)CC1=O ZINC000105318860 1197392021 /nfs/dbraw/zinc/39/20/21/1197392021.db2.gz GSRIJXPTUIEFLP-RTBURBONSA-N 1 3 393.576 0.463 20 0 GCADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419125862 1197410834 /nfs/dbraw/zinc/41/08/34/1197410834.db2.gz UVSHXVYRTAHEFP-NVXWUHKLSA-N 1 3 391.520 0.281 20 0 GCADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419125861 1197411013 /nfs/dbraw/zinc/41/10/13/1197411013.db2.gz UVSHXVYRTAHEFP-DOTOQJQBSA-N 1 3 391.520 0.281 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1=O ZINC000246415820 1197469431 /nfs/dbraw/zinc/46/94/31/1197469431.db2.gz LOBWZXRCBBPEDI-IPMKNSEASA-N 1 3 393.576 0.319 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1=O ZINC000246415820 1197469433 /nfs/dbraw/zinc/46/94/33/1197469433.db2.gz LOBWZXRCBBPEDI-IPMKNSEASA-N 1 3 393.576 0.319 20 0 GCADHO CN(C)CCN1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCOCC2)CC1=O ZINC000074367250 1197472052 /nfs/dbraw/zinc/47/20/52/1197472052.db2.gz MTTSGPZOPYQUPS-KRWDZBQOSA-N 1 3 380.533 0.548 20 0 GCADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261767927 1197514156 /nfs/dbraw/zinc/51/41/56/1197514156.db2.gz GJFKVCWXCMSTNQ-BZSNNMDCSA-N 1 3 379.549 0.119 20 0 GCADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261767930 1197514356 /nfs/dbraw/zinc/51/43/56/1197514356.db2.gz GJFKVCWXCMSTNQ-RCCFBDPRSA-N 1 3 379.549 0.119 20 0 GCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1=O ZINC000470110263 1197586856 /nfs/dbraw/zinc/58/68/56/1197586856.db2.gz FPDDCONDOZZYSO-KRWDZBQOSA-N 1 3 380.533 0.500 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000465852694 1199088059 /nfs/dbraw/zinc/08/80/59/1199088059.db2.gz XICHUZFVTXIJJK-QZTJIDSGSA-N 1 3 397.564 0.681 20 0 GCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000672111575 1199109284 /nfs/dbraw/zinc/10/92/84/1199109284.db2.gz BOZADHBBGAZZFB-IAGOWNOFSA-N 1 3 395.548 0.034 20 0 GCADHO C[C@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)CN1CCN(C)CC1 ZINC000465866159 1199141694 /nfs/dbraw/zinc/14/16/94/1199141694.db2.gz JJVDIFZGDAEQDA-QGZVFWFLSA-N 1 3 396.580 0.112 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)[C@@H](C)C1 ZINC000672311218 1199202067 /nfs/dbraw/zinc/20/20/67/1199202067.db2.gz BALXTPFAOIKMOU-UHOSZYNNSA-N 1 3 394.560 0.840 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)[C@@H](C)C1 ZINC000672311218 1199202068 /nfs/dbraw/zinc/20/20/68/1199202068.db2.gz BALXTPFAOIKMOU-UHOSZYNNSA-N 1 3 394.560 0.840 20 0 GCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672311566 1199204813 /nfs/dbraw/zinc/20/48/13/1199204813.db2.gz JDGFXQXDHXRFQK-MSOLQXFVSA-N 1 3 380.533 0.546 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465949027 1199216484 /nfs/dbraw/zinc/21/64/84/1199216484.db2.gz MMTBYZIKMJUUKH-IRXDYDNUSA-N 1 3 383.537 0.326 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465949027 1199216488 /nfs/dbraw/zinc/21/64/88/1199216488.db2.gz MMTBYZIKMJUUKH-IRXDYDNUSA-N 1 3 383.537 0.326 20 0 GCADHO CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1CCN(C)CC1 ZINC000465957399 1199226526 /nfs/dbraw/zinc/22/65/26/1199226526.db2.gz QBBSQWMYAHMWAB-ROUUACIJSA-N 1 3 396.580 0.145 20 0 GCADHO CC(C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1CCN(C)CC1 ZINC000465957399 1199226528 /nfs/dbraw/zinc/22/65/28/1199226528.db2.gz QBBSQWMYAHMWAB-ROUUACIJSA-N 1 3 396.580 0.145 20 0 GCADHO CCN1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@@H]1C ZINC000672639984 1199296982 /nfs/dbraw/zinc/29/69/82/1199296982.db2.gz QNGOXGDOOBQMNR-YESZJQIVSA-N 1 3 379.549 0.212 20 0 GCADHO CCN1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@@H]1C ZINC000672639984 1199296986 /nfs/dbraw/zinc/29/69/86/1199296986.db2.gz QNGOXGDOOBQMNR-YESZJQIVSA-N 1 3 379.549 0.212 20 0 GCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000672696162 1199315919 /nfs/dbraw/zinc/31/59/19/1199315919.db2.gz UBTZMZIRGURHQN-KRWDZBQOSA-N 1 3 382.549 0.936 20 0 GCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000672690096 1199316858 /nfs/dbraw/zinc/31/68/58/1199316858.db2.gz NIRRTICCWWMXHF-SJORKVTESA-N 1 3 380.533 0.594 20 0 GCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000673351596 1199566936 /nfs/dbraw/zinc/56/69/36/1199566936.db2.gz KUMLOTCWLUWXFF-SFHVURJKSA-N 1 3 376.501 0.414 20 0 GCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583539 1199829354 /nfs/dbraw/zinc/82/93/54/1199829354.db2.gz AJAJAUINNYGVAF-KBAYOESNSA-N 1 3 380.533 0.471 20 0 GCADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583048 1199829465 /nfs/dbraw/zinc/82/94/65/1199829465.db2.gz MQEGIBIGIFLKJA-KSZLIROESA-N 1 3 378.517 0.081 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673584250 1199830315 /nfs/dbraw/zinc/83/03/15/1199830315.db2.gz ICTMWJSFCLFHME-QZTJIDSGSA-N 1 3 380.533 0.423 20 0 GCADHO Cc1c(C(=O)NCC2(O)CC[NH+](C)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000673842352 1199960430 /nfs/dbraw/zinc/96/04/30/1199960430.db2.gz BDIKJIVWDVITJW-UHFFFAOYSA-N 1 3 398.511 0.750 20 0 GCADHO NC1(CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CC[NH+](Cc2ccccc2)CC1 ZINC000419178150 1200506981 /nfs/dbraw/zinc/50/69/81/1200506981.db2.gz SVVUFCWQTODPFA-KURKYZTESA-N 1 3 386.496 0.532 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(NC)nc1 ZINC000415124110 1200898559 /nfs/dbraw/zinc/89/85/59/1200898559.db2.gz NUONLYDTLSIDPI-MRXNPFEDSA-N 1 3 376.505 0.936 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(NC)nc1 ZINC000415124110 1200898589 /nfs/dbraw/zinc/89/85/89/1200898589.db2.gz NUONLYDTLSIDPI-MRXNPFEDSA-N 1 3 376.505 0.936 20 0 GCADHO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000923489110 1201043433 /nfs/dbraw/zinc/04/34/33/1201043433.db2.gz OEAFJOKOGWXPSL-OAHLLOKOSA-N 1 3 398.504 0.329 20 0 GCADHO C[C@@H]1CN(C[C@@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@H](C)O1 ZINC000497513469 1201404056 /nfs/dbraw/zinc/40/40/56/1201404056.db2.gz ZPXIMOHDWURISN-JAVUXZIZSA-N 1 3 380.577 0.699 20 0 GCADHO C[C@@H]1CN(C[C@@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@H](C)O1 ZINC000497513469 1201404058 /nfs/dbraw/zinc/40/40/58/1201404058.db2.gz ZPXIMOHDWURISN-JAVUXZIZSA-N 1 3 380.577 0.699 20 0 GCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000735588762 1201693940 /nfs/dbraw/zinc/69/39/40/1201693940.db2.gz CKWXUGUKEQSPRR-JKSUJKDBSA-N 1 3 390.484 0.675 20 0 GCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000735588762 1201693941 /nfs/dbraw/zinc/69/39/41/1201693941.db2.gz CKWXUGUKEQSPRR-JKSUJKDBSA-N 1 3 390.484 0.675 20 0 GCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000735588752 1201693974 /nfs/dbraw/zinc/69/39/74/1201693974.db2.gz CKWXUGUKEQSPRR-HOTGVXAUSA-N 1 3 390.484 0.675 20 0 GCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000735588752 1201693975 /nfs/dbraw/zinc/69/39/75/1201693975.db2.gz CKWXUGUKEQSPRR-HOTGVXAUSA-N 1 3 390.484 0.675 20 0 GCADHO COCCN(C)CCOc1cccc(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000923603650 1201897563 /nfs/dbraw/zinc/89/75/63/1201897563.db2.gz OPCXILNYKQTYSN-SFHVURJKSA-N 1 3 385.530 0.815 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)Cn3nnc4ccccc4c3=O)CC2)CC1 ZINC000050800633 1201913163 /nfs/dbraw/zinc/91/31/63/1201913163.db2.gz HXOWAMHRAKCVLU-UHFFFAOYSA-N 1 3 384.484 0.466 20 0 GCADHO CCC[C@@H]1CN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CCN1CCOC ZINC000766377362 1201920988 /nfs/dbraw/zinc/92/09/88/1201920988.db2.gz AETHUIXVOBLXOW-MRXNPFEDSA-N 1 3 381.521 0.393 20 0 GCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1-n1nc(CC[NH3+])nc1C ZINC001168986394 1201930148 /nfs/dbraw/zinc/93/01/48/1201930148.db2.gz ZQJWEUBRURSYMV-AWEZNQCLSA-N 1 3 390.488 0.578 20 0 GCADHO CN(C)C(=O)CN1C[C@H]2CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC[C@H]2S1(=O)=O ZINC001169141230 1201933049 /nfs/dbraw/zinc/93/30/49/1201933049.db2.gz WADZZDIFBRMSHT-DFBDCSAJSA-N 1 3 398.573 0.426 20 0 GCADHO CN(C)C(=O)CN1C[C@H]2CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC[C@H]2S1(=O)=O ZINC001169141230 1201933051 /nfs/dbraw/zinc/93/30/51/1201933051.db2.gz WADZZDIFBRMSHT-DFBDCSAJSA-N 1 3 398.573 0.426 20 0 GCADHO C[C@H]1CN(CCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000767612677 1201979340 /nfs/dbraw/zinc/97/93/40/1201979340.db2.gz QUIPDUUIBDOUPD-LPHOPBHVSA-N 1 3 380.558 0.834 20 0 GCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001109932176 1202152623 /nfs/dbraw/zinc/15/26/23/1202152623.db2.gz DOGXOGFZCNTPDO-KBXIAJHMSA-N 1 3 381.439 0.990 20 0 GCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001109932176 1202152626 /nfs/dbraw/zinc/15/26/26/1202152626.db2.gz DOGXOGFZCNTPDO-KBXIAJHMSA-N 1 3 381.439 0.990 20 0 GCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000787910568 1205407022 /nfs/dbraw/zinc/40/70/22/1205407022.db2.gz ONZYQTSVHOUDJC-SQNIBIBYSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000787910568 1205407024 /nfs/dbraw/zinc/40/70/24/1205407024.db2.gz ONZYQTSVHOUDJC-SQNIBIBYSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000787901135 1205409093 /nfs/dbraw/zinc/40/90/93/1205409093.db2.gz AINCGAXVCIHBPX-KURKYZTESA-N 1 3 380.533 0.737 20 0 GCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000787901135 1205409096 /nfs/dbraw/zinc/40/90/96/1205409096.db2.gz AINCGAXVCIHBPX-KURKYZTESA-N 1 3 380.533 0.737 20 0 GCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCSC1 ZINC000788252814 1205417478 /nfs/dbraw/zinc/41/74/78/1205417478.db2.gz QFVJPCZKCPINBU-VQIMIIECSA-N 1 3 398.573 0.300 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)N1CCCCC1 ZINC000793715883 1205503481 /nfs/dbraw/zinc/50/34/81/1205503481.db2.gz JIXDMRMQJXQQAL-MRXNPFEDSA-N 1 3 395.548 0.036 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793715596 1205503525 /nfs/dbraw/zinc/50/35/25/1205503525.db2.gz HPIFZCTXXXERMT-KRWDZBQOSA-N 1 3 382.549 0.983 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CCCCC1 ZINC000793727564 1205503880 /nfs/dbraw/zinc/50/38/80/1205503880.db2.gz UFQPSOPNZFXZRA-NZSAHSFTSA-N 1 3 394.560 0.861 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N1CCCCC1 ZINC000793702063 1205504388 /nfs/dbraw/zinc/50/43/88/1205504388.db2.gz RXPSMYCTYWTJPA-ROUUACIJSA-N 1 3 379.549 0.215 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)N1CCCCC1 ZINC000793702063 1205504391 /nfs/dbraw/zinc/50/43/91/1205504391.db2.gz RXPSMYCTYWTJPA-ROUUACIJSA-N 1 3 379.549 0.215 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCCCC1 ZINC000793708210 1205504674 /nfs/dbraw/zinc/50/46/74/1205504674.db2.gz LSBSGGOZAVJIED-SJORKVTESA-N 1 3 380.533 0.594 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000793916162 1205509406 /nfs/dbraw/zinc/50/94/06/1205509406.db2.gz XNZSIJGLIYENGH-XDNAFOTISA-N 1 3 394.560 0.839 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000793916162 1205509409 /nfs/dbraw/zinc/50/94/09/1205509409.db2.gz XNZSIJGLIYENGH-XDNAFOTISA-N 1 3 394.560 0.839 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000793916164 1205509489 /nfs/dbraw/zinc/50/94/89/1205509489.db2.gz XNZSIJGLIYENGH-XMTFNYHQSA-N 1 3 394.560 0.839 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000793916164 1205509490 /nfs/dbraw/zinc/50/94/90/1205509490.db2.gz XNZSIJGLIYENGH-XMTFNYHQSA-N 1 3 394.560 0.839 20 0 GCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793915351 1205509503 /nfs/dbraw/zinc/50/95/03/1205509503.db2.gz XSGIMLPBKYKAKA-FLXSYLCISA-N 1 3 380.533 0.448 20 0 GCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793915351 1205509504 /nfs/dbraw/zinc/50/95/04/1205509504.db2.gz XSGIMLPBKYKAKA-FLXSYLCISA-N 1 3 380.533 0.448 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCCOC3CCC3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129854830 1205521271 /nfs/dbraw/zinc/52/12/71/1205521271.db2.gz ANRXIDOGLFNBJX-DDBAPUKQSA-N 1 3 376.505 0.529 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCCOC3CCC3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129854830 1205521272 /nfs/dbraw/zinc/52/12/72/1205521272.db2.gz ANRXIDOGLFNBJX-DDBAPUKQSA-N 1 3 376.505 0.529 20 0 GCADHO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCC2 ZINC000806300073 1205553712 /nfs/dbraw/zinc/55/37/12/1205553712.db2.gz HPYBJECDTXYGQL-KRWDZBQOSA-N 1 3 392.548 0.909 20 0 GCADHO COCCCN1CCC(N([C@H]2CC[NH2+]C2)S(=O)(=O)c2ccccn2)CC1 ZINC001172253844 1205715203 /nfs/dbraw/zinc/71/52/03/1205715203.db2.gz DCJPZXQSULCHJY-KRWDZBQOSA-N 1 3 382.530 0.935 20 0 GCADHO COCCCN1CCC(N([C@@H]2CC[NH2+]C2)S(=O)(=O)c2ccccn2)CC1 ZINC001172253845 1205715411 /nfs/dbraw/zinc/71/54/11/1205715411.db2.gz DCJPZXQSULCHJY-QGZVFWFLSA-N 1 3 382.530 0.935 20 0 GCADHO COC(=O)[C@@H]1C[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C[C@@H]1C(=O)OC ZINC001173588109 1205725393 /nfs/dbraw/zinc/72/53/93/1205725393.db2.gz SWDQZMQQYWVIBA-BCDXTJNWSA-N 1 3 381.517 0.687 20 0 GCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173749973 1205727261 /nfs/dbraw/zinc/72/72/61/1205727261.db2.gz DJAHNQOITLWWSY-ZWKOTPCHSA-N 1 3 385.516 0.981 20 0 GCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173749973 1205727262 /nfs/dbraw/zinc/72/72/62/1205727262.db2.gz DJAHNQOITLWWSY-ZWKOTPCHSA-N 1 3 385.516 0.981 20 0 GCADHO CN1CCC(O)(C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)CC1 ZINC001182030410 1205853584 /nfs/dbraw/zinc/85/35/84/1205853584.db2.gz AITLQDZTSHZYMG-UHFFFAOYSA-N 1 3 384.484 0.414 20 0 GCADHO Cc1ccc(N(C(=O)C2(O)CCN(C)CC2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001182032913 1205853982 /nfs/dbraw/zinc/85/39/82/1205853982.db2.gz VZCJJRUCEGLFPW-QFBILLFUSA-N 1 3 389.500 0.486 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[C@H](O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001182647659 1205878367 /nfs/dbraw/zinc/87/83/67/1205878367.db2.gz FQVRDWUJJGDSCN-DISWMANOSA-N 1 3 387.521 0.053 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cccnn2)[C@@H](O)OC(C)(C)C)C1 ZINC001188678733 1205988993 /nfs/dbraw/zinc/98/89/93/1205988993.db2.gz AXEHBAWFJVFEEZ-XRDYDQJJSA-N 1 3 395.504 0.386 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cccnn2)[C@H](O)OC(C)(C)C)C1 ZINC001188678731 1205989011 /nfs/dbraw/zinc/98/90/11/1205989011.db2.gz AXEHBAWFJVFEEZ-VLGRORTASA-N 1 3 395.504 0.386 20 0 GCADHO Cn1cc(CN2CC[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164765253 721091891 /nfs/dbraw/zinc/09/18/91/721091891.db2.gz ISQIVZBTTDRVQI-ZWKOTPCHSA-N 1 3 382.516 0.578 20 0 GCADHO c1cncc(CO[C@@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CCN3C2)c1 ZINC001164862834 721095829 /nfs/dbraw/zinc/09/58/29/721095829.db2.gz BBAZJHGPUGQPAP-RTBURBONSA-N 1 3 395.511 0.761 20 0 GCADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc5c(nn4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889769 721422607 /nfs/dbraw/zinc/42/26/07/721422607.db2.gz RJSXLHBTJZHHCE-WIYYLYMNSA-N 1 3 386.544 0.888 20 0 GCADHO Cc1cc(N[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571271602 945646981 /nfs/dbraw/zinc/64/69/81/945646981.db2.gz FLTNINFEPNOJAN-CSMYWGQOSA-N 1 3 386.504 0.837 20 0 GCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082182 951731250 /nfs/dbraw/zinc/73/12/50/951731250.db2.gz VJEJXIYPEOAMRA-CYBMUJFWSA-N 1 3 387.463 0.944 20 0 GCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082182 951731256 /nfs/dbraw/zinc/73/12/56/951731256.db2.gz VJEJXIYPEOAMRA-CYBMUJFWSA-N 1 3 387.463 0.944 20 0 GCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089064 951746179 /nfs/dbraw/zinc/74/61/79/951746179.db2.gz CYGDKXSYRKDIRP-DOMZBBRYSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089064 951746185 /nfs/dbraw/zinc/74/61/85/951746185.db2.gz CYGDKXSYRKDIRP-DOMZBBRYSA-N 1 3 375.452 0.799 20 0 GCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575101515 951859759 /nfs/dbraw/zinc/85/97/59/951859759.db2.gz GEOITPWCNZNAOT-TZMCWYRMSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575101515 951859768 /nfs/dbraw/zinc/85/97/68/951859768.db2.gz GEOITPWCNZNAOT-TZMCWYRMSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575101515 951859775 /nfs/dbraw/zinc/85/97/75/951859775.db2.gz GEOITPWCNZNAOT-TZMCWYRMSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575101515 951859782 /nfs/dbraw/zinc/85/97/82/951859782.db2.gz GEOITPWCNZNAOT-TZMCWYRMSA-N 1 3 375.452 0.894 20 0 GCADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001571190073 952939800 /nfs/dbraw/zinc/93/98/00/952939800.db2.gz DQVRVWACTFFYSA-FGTMMUONSA-N 1 3 381.484 0.945 20 0 GCADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001571190073 952939803 /nfs/dbraw/zinc/93/98/03/952939803.db2.gz DQVRVWACTFFYSA-FGTMMUONSA-N 1 3 381.484 0.945 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1nn(C)cc1I ZINC000602898521 530486096 /nfs/dbraw/zinc/48/60/96/530486096.db2.gz MWUBACUOIKXQBW-UHFFFAOYSA-N 1 3 393.273 0.590 20 0 GCADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000420027762 530964952 /nfs/dbraw/zinc/96/49/52/530964952.db2.gz LISWMFJCWDUTAE-GFCCVEGCSA-N 1 3 385.306 0.803 20 0 GCADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825860261 609229646 /nfs/dbraw/zinc/22/96/46/609229646.db2.gz MVLUBBNGEKLODR-KRWDZBQOSA-N 1 3 389.504 0.632 20 0 GCADHO Cn1cc(CNCCC[NH+]2CCN(C)CC2)c(I)n1 ZINC000894383690 638698172 /nfs/dbraw/zinc/69/81/72/638698172.db2.gz IFAQAQPIBHUMIQ-UHFFFAOYSA-N 1 3 377.274 0.752 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000809528629 641709859 /nfs/dbraw/zinc/70/98/59/641709859.db2.gz BWBVIPAAUAYULQ-KFWWJZLASA-N 1 3 388.603 0.434 20 0 GCADHO C[C@@H](C(=O)N(C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)n1cccn1 ZINC000050797338 1192235482 /nfs/dbraw/zinc/23/54/82/1192235482.db2.gz IOGZWTJNKAUESQ-INIZCTEOSA-N 1 3 390.532 0.577 20 0 GCADHO CN(CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)S(C)(=O)=O ZINC000051760470 1192350296 /nfs/dbraw/zinc/35/02/96/1192350296.db2.gz KGEGCXTVTKXQQE-UHFFFAOYSA-N 1 3 389.566 0.126 20 0 GCADHO C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@H](N3CCOCC3)CC2)CC1 ZINC000663579806 1192401959 /nfs/dbraw/zinc/40/19/59/1192401959.db2.gz JJNBQGGYXMMBIE-IBGZPJMESA-N 1 3 381.565 0.909 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)CC1 ZINC000050800422 1192501935 /nfs/dbraw/zinc/50/19/35/1192501935.db2.gz SPEAYZUELUMDRN-FQEVSTJZSA-N 1 3 391.516 0.382 20 0 GCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652682069 1192521892 /nfs/dbraw/zinc/52/18/92/1192521892.db2.gz ANKAJLDRFOXFIW-OWSLCNJRSA-N 1 3 380.533 0.579 20 0 GCADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000512250869 1192575132 /nfs/dbraw/zinc/57/51/32/1192575132.db2.gz WCRISMURGQFXKT-INIZCTEOSA-N 1 3 392.500 0.722 20 0 GCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418752484 1192639737 /nfs/dbraw/zinc/63/97/37/1192639737.db2.gz BVVBSQOKNXBVLH-IPMKNSEASA-N 1 3 375.517 0.072 20 0 GCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000418787698 1192644316 /nfs/dbraw/zinc/64/43/16/1192644316.db2.gz UQERXVRHRJWDBR-SFHVURJKSA-N 1 3 387.528 0.655 20 0 GCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418862302 1192670795 /nfs/dbraw/zinc/67/07/95/1192670795.db2.gz AMOXVJXUVSYBRM-MPTYRVRUSA-N 1 3 380.533 0.985 20 0 GCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000418862302 1192670798 /nfs/dbraw/zinc/67/07/98/1192670798.db2.gz AMOXVJXUVSYBRM-MPTYRVRUSA-N 1 3 380.533 0.985 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)[C@@H](C[NH3+])C1 ZINC000418877406 1192674688 /nfs/dbraw/zinc/67/46/88/1192674688.db2.gz ORUSLGDLFOCOJC-KZNAEPCWSA-N 1 3 376.501 0.240 20 0 GCADHO NC1(CNC(=O)C(=O)NC[C@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000418904455 1192685385 /nfs/dbraw/zinc/68/53/85/1192685385.db2.gz JFBAVSZUKGUCAZ-QGZVFWFLSA-N 1 3 390.553 0.965 20 0 GCADHO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)ccn1 ZINC000418952288 1192699883 /nfs/dbraw/zinc/69/98/83/1192699883.db2.gz JXIGIHGKTLQGRV-QGZVFWFLSA-N 1 3 385.468 0.454 20 0 GCADHO CCO[C@H]1C[C@@H](NC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418978927 1192708772 /nfs/dbraw/zinc/70/87/72/1192708772.db2.gz MJZVLSYDZSGVHJ-HDICACEKSA-N 1 3 388.512 0.780 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652686936 1192714653 /nfs/dbraw/zinc/71/46/53/1192714653.db2.gz RKTXAWVEXRJQNA-FJIDUMEYSA-N 1 3 380.533 0.722 20 0 GCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419030165 1192729187 /nfs/dbraw/zinc/72/91/87/1192729187.db2.gz SPMHZLATADCCRH-IXDOHACOSA-N 1 3 395.548 0.069 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)[C@H](C)C1 ZINC000419044183 1192738019 /nfs/dbraw/zinc/73/80/19/1192738019.db2.gz SOJFLIADKWCUIQ-NCOADZHNSA-N 1 3 398.548 0.469 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)[C@H](C)C1 ZINC000419044183 1192738022 /nfs/dbraw/zinc/73/80/22/1192738022.db2.gz SOJFLIADKWCUIQ-NCOADZHNSA-N 1 3 398.548 0.469 20 0 GCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419084444 1192779066 /nfs/dbraw/zinc/77/90/66/1192779066.db2.gz YNZMYEABDALBLB-DLBZAZTESA-N 1 3 395.548 0.213 20 0 GCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000419081725 1192777790 /nfs/dbraw/zinc/77/77/90/1192777790.db2.gz ORMMYZGVOMYHIR-ROUUACIJSA-N 1 3 392.500 0.380 20 0 GCADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419098528 1192784401 /nfs/dbraw/zinc/78/44/01/1192784401.db2.gz CJSIAKSNIYYMLB-ROUUACIJSA-N 1 3 388.512 0.508 20 0 GCADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419098528 1192784405 /nfs/dbraw/zinc/78/44/05/1192784405.db2.gz CJSIAKSNIYYMLB-ROUUACIJSA-N 1 3 388.512 0.508 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000419120579 1192793681 /nfs/dbraw/zinc/79/36/81/1192793681.db2.gz CNFBBDBXKIXZAM-MSOLQXFVSA-N 1 3 375.517 0.191 20 0 GCADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419125864 1192797310 /nfs/dbraw/zinc/79/73/10/1192797310.db2.gz UVSHXVYRTAHEFP-WBVHZDCISA-N 1 3 391.520 0.281 20 0 GCADHO COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CCCNCC3)CC2)cc1 ZINC000419129238 1192798306 /nfs/dbraw/zinc/79/83/06/1192798306.db2.gz CWOZJKXDRXZQAS-UHFFFAOYSA-N 1 3 388.512 0.845 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN(C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419114720 1192800956 /nfs/dbraw/zinc/80/09/56/1192800956.db2.gz SIGUHFKXZVTEDG-BPQIPLTHSA-N 1 3 376.501 0.588 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)N1CCC(C)CC1 ZINC000419141092 1192813074 /nfs/dbraw/zinc/81/30/74/1192813074.db2.gz AOSPKRDWECWZJN-NZSAHSFTSA-N 1 3 394.560 0.968 20 0 GCADHO NC1(CNC(=O)C(=O)NCCc2ccncc2)CC[NH+](Cc2ccccc2)CC1 ZINC000419146350 1192814709 /nfs/dbraw/zinc/81/47/09/1192814709.db2.gz LWJFKLIXDJUIQU-UHFFFAOYSA-N 1 3 395.507 0.850 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419159198 1192818327 /nfs/dbraw/zinc/81/83/27/1192818327.db2.gz YZLOTUVUQZIZNA-HOCLYGCPSA-N 1 3 392.500 0.472 20 0 GCADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419161467 1192819200 /nfs/dbraw/zinc/81/92/00/1192819200.db2.gz IYQYIDVYDHRLST-ZWKOTPCHSA-N 1 3 376.501 0.364 20 0 GCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419164368 1192821560 /nfs/dbraw/zinc/82/15/60/1192821560.db2.gz LSYDIEKNNPVGNO-WDSOQIARSA-N 1 3 388.512 0.589 20 0 GCADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419166112 1192822306 /nfs/dbraw/zinc/82/23/06/1192822306.db2.gz OJSVJJJAJWLDLL-MOPGFXCFSA-N 1 3 388.512 0.510 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419197625 1192831333 /nfs/dbraw/zinc/83/13/33/1192831333.db2.gz BSDKDCSYONUKGZ-YOEHRIQHSA-N 1 3 392.500 0.472 20 0 GCADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3CNCCO3)cc2)C1 ZINC000419196019 1192832735 /nfs/dbraw/zinc/83/27/35/1192832735.db2.gz AGWKSLIEDLBJJT-QFBILLFUSA-N 1 3 388.512 0.639 20 0 GCADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3CNCCO3)cc2)C1 ZINC000419196019 1192832741 /nfs/dbraw/zinc/83/27/41/1192832741.db2.gz AGWKSLIEDLBJJT-QFBILLFUSA-N 1 3 388.512 0.639 20 0 GCADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000419197692 1192837825 /nfs/dbraw/zinc/83/78/25/1192837825.db2.gz YFJSNIKEYFJCDR-IBGZPJMESA-N 1 3 388.512 0.639 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419198981 1192838689 /nfs/dbraw/zinc/83/86/89/1192838689.db2.gz DDHVVMBLURSULA-YOEHRIQHSA-N 1 3 392.500 0.472 20 0 GCADHO CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3CNCCO3)c2)CC1 ZINC000419211585 1192895935 /nfs/dbraw/zinc/89/59/35/1192895935.db2.gz XGNBKYRVMRZKJR-IBGZPJMESA-N 1 3 388.512 0.639 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC(=O)N3CCOCC3)CC2)CC1 ZINC000051758991 1192905875 /nfs/dbraw/zinc/90/58/75/1192905875.db2.gz XGMCYFSDJXPLOM-UHFFFAOYSA-N 1 3 381.521 0.093 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000643542146 1184120731 /nfs/dbraw/zinc/12/07/31/1184120731.db2.gz XTEVXBRBCMDEHL-MAUKXSAKSA-N 1 3 392.500 0.160 20 0 GCADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000579838043 1184312036 /nfs/dbraw/zinc/31/20/36/1184312036.db2.gz FBRWDQOLHWBNAI-MRXNPFEDSA-N 1 3 399.499 0.967 20 0 GCADHO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000656075250 1185013962 /nfs/dbraw/zinc/01/39/62/1185013962.db2.gz GNWRNMHBZGKHJZ-GOSISDBHSA-N 1 3 394.560 0.890 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000275807407 1185116019 /nfs/dbraw/zinc/11/60/19/1185116019.db2.gz DKAOWBLDVUOAMA-OAHLLOKOSA-N 1 3 390.532 0.722 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000275807407 1185116026 /nfs/dbraw/zinc/11/60/26/1185116026.db2.gz DKAOWBLDVUOAMA-OAHLLOKOSA-N 1 3 390.532 0.722 20 0 GCADHO COCCN1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000580221847 1185121690 /nfs/dbraw/zinc/12/16/90/1185121690.db2.gz RKCDAPSTNKQKCS-IRXDYDNUSA-N 1 3 382.549 0.698 20 0 GCADHO C[C@@H](NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)C(=O)NCCN1CCCCC1 ZINC000580561477 1185276592 /nfs/dbraw/zinc/27/65/92/1185276592.db2.gz CIBJFDHXURREAR-WBVHZDCISA-N 1 3 376.505 0.528 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275994908 1185389593 /nfs/dbraw/zinc/38/95/93/1185389593.db2.gz NXVFQLSCBMTPIH-UHFFFAOYSA-N 1 3 389.544 0.825 20 0 GCADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000580845240 1185395435 /nfs/dbraw/zinc/39/54/35/1185395435.db2.gz VLJPTALWSJBPQU-ZWKOTPCHSA-N 1 3 399.495 0.034 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000580861729 1185397693 /nfs/dbraw/zinc/39/76/93/1185397693.db2.gz NPEJWOHZFRJAJO-UHFFFAOYSA-N 1 3 379.549 0.073 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c(C)c(C)nn1C ZINC000276001352 1185421407 /nfs/dbraw/zinc/42/14/07/1185421407.db2.gz KZEGBXVAFZQDSY-INIZCTEOSA-N 1 3 378.521 0.850 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c(C)c(C)nn1C ZINC000276001352 1185421411 /nfs/dbraw/zinc/42/14/11/1185421411.db2.gz KZEGBXVAFZQDSY-INIZCTEOSA-N 1 3 378.521 0.850 20 0 GCADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656353651 1185449248 /nfs/dbraw/zinc/44/92/48/1185449248.db2.gz BRVXSHFMYCBLGN-MSOLQXFVSA-N 1 3 380.533 0.425 20 0 GCADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656353651 1185449252 /nfs/dbraw/zinc/44/92/52/1185449252.db2.gz BRVXSHFMYCBLGN-MSOLQXFVSA-N 1 3 380.533 0.425 20 0 GCADHO COc1ccc(NC(=O)C[NH2+][C@](C)(CN)C(C)C)cc1S(=O)(=O)N(C)C ZINC000430554530 1185586053 /nfs/dbraw/zinc/58/60/53/1185586053.db2.gz NMIITIPIGQJQSL-QGZVFWFLSA-N 1 3 386.518 0.847 20 0 GCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000581429230 1185687181 /nfs/dbraw/zinc/68/71/81/1185687181.db2.gz CWKSZUYFBKHOID-MSOLQXFVSA-N 1 3 389.544 0.553 20 0 GCADHO CN(CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Cc1ccccc1 ZINC000891412298 1185711930 /nfs/dbraw/zinc/71/19/30/1185711930.db2.gz JAMATELLHPRZGW-KSZLIROESA-N 1 3 387.484 0.695 20 0 GCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000581511442 1185734678 /nfs/dbraw/zinc/73/46/78/1185734678.db2.gz MEHVTHOTENZZLM-MSOLQXFVSA-N 1 3 382.549 0.669 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891483487 1185886768 /nfs/dbraw/zinc/88/67/68/1185886768.db2.gz QJMXKGGCZLWFDW-UONOGXRCSA-N 1 3 375.464 0.473 20 0 GCADHO COc1ccc(C[C@](C)(CO)NCC(=O)NC2CC[NH+](C)CC2)cc1OC ZINC000933447554 1185897822 /nfs/dbraw/zinc/89/78/22/1185897822.db2.gz FRBBTPCQEIYRNW-HXUWFJFHSA-N 1 3 379.501 0.797 20 0 GCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCc4sc(CN)nc4C3)C2)CC1 ZINC000891560905 1185919487 /nfs/dbraw/zinc/91/94/87/1185919487.db2.gz SVLNMWVCAYJAKX-CYBMUJFWSA-N 1 3 378.546 0.838 20 0 GCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCc4sc(CN)nc4C3)C2)CC1 ZINC000891560905 1185919489 /nfs/dbraw/zinc/91/94/89/1185919489.db2.gz SVLNMWVCAYJAKX-CYBMUJFWSA-N 1 3 378.546 0.838 20 0 GCADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430919890 1186053940 /nfs/dbraw/zinc/05/39/40/1186053940.db2.gz MTEPNCFDZYEYOC-HZSPNIEDSA-N 1 3 382.530 0.959 20 0 GCADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430935637 1186058159 /nfs/dbraw/zinc/05/81/59/1186058159.db2.gz UUGABKHJTCEOQC-KBPBESRZSA-N 1 3 382.530 0.440 20 0 GCADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430935638 1186058329 /nfs/dbraw/zinc/05/83/29/1186058329.db2.gz UUGABKHJTCEOQC-KGLIPLIRSA-N 1 3 382.530 0.440 20 0 GCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891865450 1186107142 /nfs/dbraw/zinc/10/71/42/1186107142.db2.gz PGTRIXDWIGWRNF-XUWVNRHRSA-N 1 3 379.505 0.683 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000151342730 1186286403 /nfs/dbraw/zinc/28/64/03/1186286403.db2.gz NTNHOTRQMRDWMK-MSOLQXFVSA-N 1 3 377.533 0.998 20 0 GCADHO COCCN1CCC(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000431283999 1186315988 /nfs/dbraw/zinc/31/59/88/1186315988.db2.gz NVVCJKMTYZQBJX-UHFFFAOYSA-N 1 3 383.537 0.389 20 0 GCADHO CCN1CCN(CCNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000102812128 1186322042 /nfs/dbraw/zinc/32/20/42/1186322042.db2.gz YKSJHHBIVBTFBO-UHFFFAOYSA-N 1 3 375.517 0.483 20 0 GCADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1Cc2ccccc2CN1 ZINC000892107446 1186345489 /nfs/dbraw/zinc/34/54/89/1186345489.db2.gz JWVGOQGYYAFEDS-JKSUJKDBSA-N 1 3 385.434 0.836 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000130523063 1186364942 /nfs/dbraw/zinc/36/49/42/1186364942.db2.gz LDLOJTAPIOMMNB-UHFFFAOYSA-N 1 3 386.500 0.822 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000582203710 1186462746 /nfs/dbraw/zinc/46/27/46/1186462746.db2.gz QCCZDIGNWWEFFJ-OTWHNJEPSA-N 1 3 392.544 0.567 20 0 GCADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000582256238 1186476376 /nfs/dbraw/zinc/47/63/76/1186476376.db2.gz KCKFZCPLHZQPTQ-MOPGFXCFSA-N 1 3 395.592 0.613 20 0 GCADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000582256238 1186476379 /nfs/dbraw/zinc/47/63/79/1186476379.db2.gz KCKFZCPLHZQPTQ-MOPGFXCFSA-N 1 3 395.592 0.613 20 0 GCADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCC1 ZINC000582252538 1186478421 /nfs/dbraw/zinc/47/84/21/1186478421.db2.gz KFBVXPMNEPSPKQ-ROUUACIJSA-N 1 3 385.512 0.995 20 0 GCADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCC1 ZINC000582252538 1186478423 /nfs/dbraw/zinc/47/84/23/1186478423.db2.gz KFBVXPMNEPSPKQ-ROUUACIJSA-N 1 3 385.512 0.995 20 0 GCADHO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000582360839 1186503596 /nfs/dbraw/zinc/50/35/96/1186503596.db2.gz UGINYCKWRGDATH-DLBZAZTESA-N 1 3 394.541 0.314 20 0 GCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000627357775 1186571814 /nfs/dbraw/zinc/57/18/14/1186571814.db2.gz PQZAISJXGPJTRN-UONOGXRCSA-N 1 3 378.439 0.820 20 0 GCADHO C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N1CCCC[C@H]1C ZINC000582701990 1186616833 /nfs/dbraw/zinc/61/68/33/1186616833.db2.gz WTXWPGQABFZAHM-HZPDHXFCSA-N 1 3 390.532 1.467 20 0 GCADHO CN(C)Cc1ccc(N2CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)nc1 ZINC000563610072 1186733991 /nfs/dbraw/zinc/73/39/91/1186733991.db2.gz YOJGDTCOKNQJHH-QGZVFWFLSA-N 1 3 376.505 0.353 20 0 GCADHO C[NH+](C)C[C@](C)(O)CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000121828818 1186744227 /nfs/dbraw/zinc/74/42/27/1186744227.db2.gz WIWVOFROYMQTSJ-OAQYLSRUSA-N 1 3 391.560 0.806 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)CN1CCN(C)CC1 ZINC000583194947 1186793758 /nfs/dbraw/zinc/79/37/58/1186793758.db2.gz YCIIETUKAJKGLT-SFHVURJKSA-N 1 3 393.576 0.463 20 0 GCADHO CCN1CCN(CC(C)(C)NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000458450443 1186807460 /nfs/dbraw/zinc/80/74/60/1186807460.db2.gz ZNFIWVLBISTZIS-QGZVFWFLSA-N 1 3 396.580 0.289 20 0 GCADHO CCN1CCN(CC(C)(C)NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000458450443 1186807464 /nfs/dbraw/zinc/80/74/64/1186807464.db2.gz ZNFIWVLBISTZIS-QGZVFWFLSA-N 1 3 396.580 0.289 20 0 GCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392501 1186844268 /nfs/dbraw/zinc/84/42/68/1186844268.db2.gz IKEJGSASJRVWCX-CEXWTWQISA-N 1 3 385.512 0.504 20 0 GCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392501 1186844271 /nfs/dbraw/zinc/84/42/71/1186844271.db2.gz IKEJGSASJRVWCX-CEXWTWQISA-N 1 3 385.512 0.504 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)C[C@H](C)O1 ZINC000583558916 1186885866 /nfs/dbraw/zinc/88/58/66/1186885866.db2.gz VYGYQWBUYPBFTQ-JFRXWTBNSA-N 1 3 392.544 0.545 20 0 GCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000583778180 1186937244 /nfs/dbraw/zinc/93/72/44/1186937244.db2.gz GIQUVWUSUZAREV-APWZRJJASA-N 1 3 391.560 0.071 20 0 GCADHO Cc1ccc(S(N)(=O)=O)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802973 1186953221 /nfs/dbraw/zinc/95/32/21/1186953221.db2.gz KCAFXEXDGGRWHP-UHFFFAOYSA-N 1 3 394.541 0.931 20 0 GCADHO C[NH+](C)CCOc1cnccc1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458767589 1186982131 /nfs/dbraw/zinc/98/21/31/1186982131.db2.gz DCUGJKPTVSSOQZ-KRWDZBQOSA-N 1 3 379.505 0.668 20 0 GCADHO COc1ccccc1N1CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C1=O ZINC000151597938 1186997568 /nfs/dbraw/zinc/99/75/68/1186997568.db2.gz AONIGTRKFYUZIC-SFHVURJKSA-N 1 3 390.528 0.780 20 0 GCADHO C[C@H](O)CN1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000248638361 1187029846 /nfs/dbraw/zinc/02/98/46/1187029846.db2.gz QUWNAFZJSSCJBO-SJORKVTESA-N 1 3 390.532 0.430 20 0 GCADHO CCOC(=O)Cn1nc(C)c(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c1C ZINC000584375531 1187043715 /nfs/dbraw/zinc/04/37/15/1187043715.db2.gz XAFNIYHKLOPUPN-UHFFFAOYSA-N 1 3 393.532 0.953 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000612046033 1187245007 /nfs/dbraw/zinc/24/50/07/1187245007.db2.gz XWSGDMCAKPYCHY-SQNIBIBYSA-N 1 3 378.517 0.489 20 0 GCADHO Cn1cc([C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)NC(=O)[C@@H]2CCCCN2C)cn1 ZINC000635725222 1187318687 /nfs/dbraw/zinc/31/86/87/1187318687.db2.gz KYWDQIDQIMACDV-BZSNNMDCSA-N 1 3 390.532 0.662 20 0 GCADHO Cn1cc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)NC(=O)[C@@H]2CCCCN2C)cn1 ZINC000635725222 1187318691 /nfs/dbraw/zinc/31/86/91/1187318691.db2.gz KYWDQIDQIMACDV-BZSNNMDCSA-N 1 3 390.532 0.662 20 0 GCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000612544171 1187518152 /nfs/dbraw/zinc/51/81/52/1187518152.db2.gz WJIFXJWRUONCDF-SFHVURJKSA-N 1 3 393.576 0.606 20 0 GCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000612547120 1187522966 /nfs/dbraw/zinc/52/29/66/1187522966.db2.gz ZVAAHORTGYOYPX-GOSISDBHSA-N 1 3 393.576 0.463 20 0 GCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612595271 1187535773 /nfs/dbraw/zinc/53/57/73/1187535773.db2.gz FXFRUHKCSNXCPU-SQNIBIBYSA-N 1 3 378.517 0.441 20 0 GCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612597001 1187536137 /nfs/dbraw/zinc/53/61/37/1187536137.db2.gz ZKTFAFSTBAEORW-MJGOQNOKSA-N 1 3 392.544 0.546 20 0 GCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612597001 1187536141 /nfs/dbraw/zinc/53/61/41/1187536141.db2.gz ZKTFAFSTBAEORW-MJGOQNOKSA-N 1 3 392.544 0.546 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000612598321 1187538502 /nfs/dbraw/zinc/53/85/02/1187538502.db2.gz BUQHVVWXLNMAOQ-ZWKOTPCHSA-N 1 3 378.517 0.443 20 0 GCADHO C[NH+](C)CCCC1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000612598104 1187538514 /nfs/dbraw/zinc/53/85/14/1187538514.db2.gz RAYRBATZTFBWRK-IBGZPJMESA-N 1 3 394.560 0.936 20 0 GCADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC3CCN([C@H]4CCOC4)CC3)C2)CC1 ZINC000612598154 1187538714 /nfs/dbraw/zinc/53/87/14/1187538714.db2.gz SFLCVVSFTGYAEG-HKUYNNGSSA-N 1 3 392.544 0.546 20 0 GCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000612599333 1187538779 /nfs/dbraw/zinc/53/87/79/1187538779.db2.gz TUUAPRKVKVBSAC-IBGZPJMESA-N 1 3 392.544 0.833 20 0 GCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000612599333 1187538782 /nfs/dbraw/zinc/53/87/82/1187538782.db2.gz TUUAPRKVKVBSAC-IBGZPJMESA-N 1 3 392.544 0.833 20 0 GCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000612600471 1187539646 /nfs/dbraw/zinc/53/96/46/1187539646.db2.gz INLVFRCGXDODFN-IBGZPJMESA-N 1 3 392.544 0.833 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C[NH+]1CCCCC1 ZINC000612602442 1187539974 /nfs/dbraw/zinc/53/99/74/1187539974.db2.gz XVSDQXMAQNHSPZ-WMZOPIPTSA-N 1 3 380.533 0.594 20 0 GCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612604693 1187540787 /nfs/dbraw/zinc/54/07/87/1187540787.db2.gz UGXICAIJLLNIDP-QGZVFWFLSA-N 1 3 380.533 0.689 20 0 GCADHO COC(=O)[C@H]1CN(C)CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000413911784 1187582339 /nfs/dbraw/zinc/58/23/39/1187582339.db2.gz ZDUJWBARYLWFGE-IBGZPJMESA-N 1 3 388.512 0.611 20 0 GCADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612880791 1187611325 /nfs/dbraw/zinc/61/13/25/1187611325.db2.gz JYQBCUQAULKCFT-HOTGVXAUSA-N 1 3 387.532 0.945 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000173132921 1187717718 /nfs/dbraw/zinc/71/77/18/1187717718.db2.gz HDTNITWUGIEAOE-IBGZPJMESA-N 1 3 382.549 0.792 20 0 GCADHO C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)CC2)C[C@@H](C)O1 ZINC000658987245 1187831486 /nfs/dbraw/zinc/83/14/86/1187831486.db2.gz NJCUIVHCXPCYFE-ZAWLATJESA-N 1 3 392.544 0.497 20 0 GCADHO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)NC1CCN([C@H]2CCOC2)CC1 ZINC000659020857 1187844278 /nfs/dbraw/zinc/84/42/78/1187844278.db2.gz BVDSLJQPKLQDGK-INIZCTEOSA-N 1 3 375.477 0.261 20 0 GCADHO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659020860 1187844371 /nfs/dbraw/zinc/84/43/71/1187844371.db2.gz BVDSLJQPKLQDGK-MRXNPFEDSA-N 1 3 375.477 0.261 20 0 GCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000659096731 1187877274 /nfs/dbraw/zinc/87/72/74/1187877274.db2.gz GQXJANRWSAHKNB-UHFFFAOYSA-N 1 3 389.500 0.518 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892651389 1187882515 /nfs/dbraw/zinc/88/25/15/1187882515.db2.gz YCHHLRCTUDKONL-BZSNNMDCSA-N 1 3 395.548 0.170 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892651389 1187882524 /nfs/dbraw/zinc/88/25/24/1187882524.db2.gz YCHHLRCTUDKONL-BZSNNMDCSA-N 1 3 395.548 0.170 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)n1 ZINC000659111417 1187886273 /nfs/dbraw/zinc/88/62/73/1187886273.db2.gz GMSDQHHPXWUVHU-UHFFFAOYSA-N 1 3 398.467 0.534 20 0 GCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000659110879 1187886700 /nfs/dbraw/zinc/88/67/00/1187886700.db2.gz DKXNCNBQPDFWLY-RHSMWYFYSA-N 1 3 389.500 0.515 20 0 GCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000647595386 1187905392 /nfs/dbraw/zinc/90/53/92/1187905392.db2.gz CXPMJRLBKUDVHZ-CABCVRRESA-N 1 3 376.501 0.502 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000642959499 1187942132 /nfs/dbraw/zinc/94/21/32/1187942132.db2.gz BRZJMARDAVACPK-XJNFMUPTSA-N 1 3 378.517 0.691 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000642959499 1187942136 /nfs/dbraw/zinc/94/21/36/1187942136.db2.gz BRZJMARDAVACPK-XJNFMUPTSA-N 1 3 378.517 0.691 20 0 GCADHO CC(C)CN1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000659345045 1187945103 /nfs/dbraw/zinc/94/51/03/1187945103.db2.gz UZPGSTWEMYWPAX-IBGZPJMESA-N 1 3 393.576 0.414 20 0 GCADHO CC(C)CN1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000659345045 1187945105 /nfs/dbraw/zinc/94/51/05/1187945105.db2.gz UZPGSTWEMYWPAX-IBGZPJMESA-N 1 3 393.576 0.414 20 0 GCADHO CC(C)CN1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000659345045 1187945106 /nfs/dbraw/zinc/94/51/06/1187945106.db2.gz UZPGSTWEMYWPAX-IBGZPJMESA-N 1 3 393.576 0.414 20 0 GCADHO CC[C@@H](C)N1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000659344746 1187946411 /nfs/dbraw/zinc/94/64/11/1187946411.db2.gz JHUJCPLTKWZDQL-MJGOQNOKSA-N 1 3 393.576 0.556 20 0 GCADHO CC[C@@H](C)N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000659344746 1187946414 /nfs/dbraw/zinc/94/64/14/1187946414.db2.gz JHUJCPLTKWZDQL-MJGOQNOKSA-N 1 3 393.576 0.556 20 0 GCADHO CC[C@@H](C)N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000659344746 1187946416 /nfs/dbraw/zinc/94/64/16/1187946416.db2.gz JHUJCPLTKWZDQL-MJGOQNOKSA-N 1 3 393.576 0.556 20 0 GCADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659541149 1187968492 /nfs/dbraw/zinc/96/84/92/1187968492.db2.gz ZTMLIVDUJSIESJ-CABCVRRESA-N 1 3 393.454 0.375 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)n1 ZINC000659552184 1187969736 /nfs/dbraw/zinc/96/97/36/1187969736.db2.gz ODKWADSBGCIXCL-XJKSGUPXSA-N 1 3 388.447 0.973 20 0 GCADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659674371 1187993901 /nfs/dbraw/zinc/99/39/01/1187993901.db2.gz GOYLZEWOCRPBER-ZDUSSCGKSA-N 1 3 392.504 0.274 20 0 GCADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659674371 1187993904 /nfs/dbraw/zinc/99/39/04/1187993904.db2.gz GOYLZEWOCRPBER-ZDUSSCGKSA-N 1 3 392.504 0.274 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[NH+]1CCCCCC1 ZINC000659685916 1187996750 /nfs/dbraw/zinc/99/67/50/1187996750.db2.gz VXUWRKMMYUBADL-HNNXBMFYSA-N 1 3 392.504 0.274 20 0 GCADHO CC(C)[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[NH+]1CCCCCC1 ZINC000659685917 1187997030 /nfs/dbraw/zinc/99/70/30/1187997030.db2.gz VXUWRKMMYUBADL-OAHLLOKOSA-N 1 3 392.504 0.274 20 0 GCADHO CC[C@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000659729934 1188015292 /nfs/dbraw/zinc/01/52/92/1188015292.db2.gz QOUQFHVIORMKBZ-OALUTQOASA-N 1 3 387.528 0.996 20 0 GCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659739519 1188018110 /nfs/dbraw/zinc/01/81/10/1188018110.db2.gz WQEMTJQWHLPCOV-HKUYNNGSSA-N 1 3 392.544 0.594 20 0 GCADHO [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659739323 1188018233 /nfs/dbraw/zinc/01/82/33/1188018233.db2.gz QVDFYNJPEDHMSM-IBGZPJMESA-N 1 3 388.512 0.734 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000659740192 1188018696 /nfs/dbraw/zinc/01/86/96/1188018696.db2.gz FXGOULAVXQCUDY-YTQUADARSA-N 1 3 394.560 0.968 20 0 GCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000659739750 1188019359 /nfs/dbraw/zinc/01/93/59/1188019359.db2.gz ZNDJWBMKXFQTTH-ROUUACIJSA-N 1 3 378.517 0.347 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000415328623 1188039725 /nfs/dbraw/zinc/03/97/25/1188039725.db2.gz JKBHIHCSDYXEDN-SFHVURJKSA-N 1 3 387.528 0.878 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000415468949 1188087435 /nfs/dbraw/zinc/08/74/35/1188087435.db2.gz WJAGKXQCLRYNGY-LPHOPBHVSA-N 1 3 387.528 0.958 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000415668658 1188137493 /nfs/dbraw/zinc/13/74/93/1188137493.db2.gz CZJYOGNFNBAJAK-HDICACEKSA-N 1 3 385.512 0.440 20 0 GCADHO Cc1cc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(N2CCN(C(C)C)CC2)c1 ZINC000415755515 1188157470 /nfs/dbraw/zinc/15/74/70/1188157470.db2.gz CJRFTSDBYKYEIV-BWTSREIZSA-N 1 3 385.512 0.798 20 0 GCADHO O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415866717 1189388258 /nfs/dbraw/zinc/38/82/58/1189388258.db2.gz OMVLZQYPTQDEET-KRWDZBQOSA-N 1 3 392.525 0.321 20 0 GCADHO C[C@@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000378313775 1189471454 /nfs/dbraw/zinc/47/14/54/1189471454.db2.gz GULIXYUHUWRJPY-VQIMIIECSA-N 1 3 396.557 0.671 20 0 GCADHO C[C@@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000378313775 1189471457 /nfs/dbraw/zinc/47/14/57/1189471457.db2.gz GULIXYUHUWRJPY-VQIMIIECSA-N 1 3 396.557 0.671 20 0 GCADHO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CN4CCN3CCC4)cc2)C1 ZINC000378320659 1189475106 /nfs/dbraw/zinc/47/51/06/1189475106.db2.gz VOEDIVLGSHRSPN-HKUYNNGSSA-N 1 3 385.512 0.712 20 0 GCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CN4CCN3CCC4)cc2)C1 ZINC000378320659 1189475113 /nfs/dbraw/zinc/47/51/13/1189475113.db2.gz VOEDIVLGSHRSPN-HKUYNNGSSA-N 1 3 385.512 0.712 20 0 GCADHO CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000659993246 1189513921 /nfs/dbraw/zinc/51/39/21/1189513921.db2.gz NQKHQAICDDIIRP-RBUKOAKNSA-N 1 3 387.590 0.927 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000416981624 1189605285 /nfs/dbraw/zinc/60/52/85/1189605285.db2.gz CTGQTESTCUZRLZ-HXUWFJFHSA-N 1 3 388.560 0.527 20 0 GCADHO [NH3+]C[C@@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000417028685 1189609620 /nfs/dbraw/zinc/60/96/20/1189609620.db2.gz UWZJYQNSSHSWIO-LJQANCHMSA-N 1 3 375.517 0.563 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)N(CC[NH3+])CCO)CC2)c1 ZINC000417051216 1189611333 /nfs/dbraw/zinc/61/13/33/1189611333.db2.gz NAKGKWDUFDPENB-UHFFFAOYSA-N 1 3 377.533 0.860 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000364165364 1189687490 /nfs/dbraw/zinc/68/74/90/1189687490.db2.gz PYSKJTPJTUHALT-IRXDYDNUSA-N 1 3 381.521 0.045 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000364165364 1189687492 /nfs/dbraw/zinc/68/74/92/1189687492.db2.gz PYSKJTPJTUHALT-IRXDYDNUSA-N 1 3 381.521 0.045 20 0 GCADHO O=C(NCCN1CC[NH2+]CC1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418304131 1189755233 /nfs/dbraw/zinc/75/52/33/1189755233.db2.gz XBMIKSWGLRTHFT-OALUTQOASA-N 1 3 375.517 0.074 20 0 GCADHO O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418304133 1189755627 /nfs/dbraw/zinc/75/56/27/1189755627.db2.gz XBMIKSWGLRTHFT-RTBURBONSA-N 1 3 375.517 0.074 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693622 1189775890 /nfs/dbraw/zinc/77/58/90/1189775890.db2.gz YTUWTNGVGCPFFP-MHORFTMASA-N 1 3 394.560 0.968 20 0 GCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660583414 1189910146 /nfs/dbraw/zinc/91/01/46/1189910146.db2.gz BTFWUORHGFSJQX-NVXWUHKLSA-N 1 3 381.521 0.126 20 0 GCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660583414 1189910147 /nfs/dbraw/zinc/91/01/47/1189910147.db2.gz BTFWUORHGFSJQX-NVXWUHKLSA-N 1 3 381.521 0.126 20 0 GCADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000662755042 1190020985 /nfs/dbraw/zinc/02/09/85/1190020985.db2.gz CIUCOVLCVYBUDW-QRVBRYPASA-N 1 3 387.528 0.806 20 0 GCADHO CN(C)CCN1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000661444274 1190048878 /nfs/dbraw/zinc/04/88/78/1190048878.db2.gz WKEDTPAXPFLLGU-UHFFFAOYSA-N 1 3 395.548 0.293 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000512659195 1193729027 /nfs/dbraw/zinc/72/90/27/1193729027.db2.gz DSJVVELXPGAAPO-UHFFFAOYSA-N 1 3 381.565 0.550 20 0 GCADHO C[C@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000512665132 1193729693 /nfs/dbraw/zinc/72/96/93/1193729693.db2.gz DQSSIXKYNKTWTE-RBUKOAKNSA-N 1 3 383.581 0.939 20 0 GCADHO C[C@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@H+]1CCCC[C@@H]1C ZINC000512665132 1193729696 /nfs/dbraw/zinc/72/96/96/1193729696.db2.gz DQSSIXKYNKTWTE-RBUKOAKNSA-N 1 3 383.581 0.939 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ncc(OC)s1 ZINC000411402913 1193756533 /nfs/dbraw/zinc/75/65/33/1193756533.db2.gz VNAHAWWOLDFTKR-CYBMUJFWSA-N 1 3 383.518 0.965 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ncc(OC)s1 ZINC000411402913 1193756536 /nfs/dbraw/zinc/75/65/36/1193756536.db2.gz VNAHAWWOLDFTKR-CYBMUJFWSA-N 1 3 383.518 0.965 20 0 GCADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)C(=O)NC[C@H]1CNCCO1 ZINC000419284214 1193784468 /nfs/dbraw/zinc/78/44/68/1193784468.db2.gz KRVROLJBAZXSHE-LJQANCHMSA-N 1 3 388.512 0.783 20 0 GCADHO CN(C(=O)NC[C@@H]1CNCCO1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000333138445 1193817990 /nfs/dbraw/zinc/81/79/90/1193817990.db2.gz BZBCTXOVISKYOX-OTWHNJEPSA-N 1 3 381.565 0.953 20 0 GCADHO CN(C(=O)NC[C@@H]1CNCCO1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000333138445 1193817995 /nfs/dbraw/zinc/81/79/95/1193817995.db2.gz BZBCTXOVISKYOX-OTWHNJEPSA-N 1 3 381.565 0.953 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000419331252 1193824287 /nfs/dbraw/zinc/82/42/87/1193824287.db2.gz GTEZJXCULIJLHR-QUCCMNQESA-N 1 3 399.539 0.261 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419337834 1193832987 /nfs/dbraw/zinc/83/29/87/1193832987.db2.gz LHGFFAONZHMYKM-INIZCTEOSA-N 1 3 375.517 0.294 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCCCC[NH3+])cc2)CC1 ZINC000419342095 1193835210 /nfs/dbraw/zinc/83/52/10/1193835210.db2.gz OZBVJEIDBNCEAE-UHFFFAOYSA-N 1 3 375.517 0.295 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000419343056 1193836556 /nfs/dbraw/zinc/83/65/56/1193836556.db2.gz QMJUTIFCRPIFCM-BGYRXZFFSA-N 1 3 399.539 0.118 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc2)CC1 ZINC000419346121 1193842186 /nfs/dbraw/zinc/84/21/86/1193842186.db2.gz UYHLZOSGPWVVAS-IBGZPJMESA-N 1 3 389.544 0.540 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419350828 1193845908 /nfs/dbraw/zinc/84/59/08/1193845908.db2.gz ZTRSCBCDCCASQB-IBGZPJMESA-N 1 3 387.528 0.309 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419360941 1193864113 /nfs/dbraw/zinc/86/41/13/1193864113.db2.gz AGAVDTOOEJHZLA-RHSMWYFYSA-N 1 3 388.512 0.431 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419372396 1193875354 /nfs/dbraw/zinc/87/53/54/1193875354.db2.gz KPHSLTFPQSAZCF-QZTJIDSGSA-N 1 3 388.512 0.167 20 0 GCADHO Cn1ccnc1[C@H]1CNCCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000261640649 1193922071 /nfs/dbraw/zinc/92/20/71/1193922071.db2.gz CDHPUXXRIQKAOD-LJQANCHMSA-N 1 3 382.512 0.954 20 0 GCADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000262950677 1193958979 /nfs/dbraw/zinc/95/89/79/1193958979.db2.gz BWYZKOADWOKYNB-IBGZPJMESA-N 1 3 376.501 0.929 20 0 GCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000419405510 1194020760 /nfs/dbraw/zinc/02/07/60/1194020760.db2.gz HRFUEWMWUKYQDB-FHLIZLRMSA-N 1 3 376.476 0.927 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419420923 1194024637 /nfs/dbraw/zinc/02/46/37/1194024637.db2.gz NYRBVUNNVJNKIJ-RBUKOAKNSA-N 1 3 387.528 0.350 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419424766 1194025165 /nfs/dbraw/zinc/02/51/65/1194025165.db2.gz URIJZWRCRNDJAS-MOPGFXCFSA-N 1 3 387.528 0.431 20 0 GCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419427510 1194026001 /nfs/dbraw/zinc/02/60/01/1194026001.db2.gz ZBSIBXOAFLWOPK-AEFFLSMTSA-N 1 3 375.517 0.287 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000419427548 1194026453 /nfs/dbraw/zinc/02/64/53/1194026453.db2.gz ZFDBBASXXXRLMP-MOPGFXCFSA-N 1 3 387.528 0.350 20 0 GCADHO C[NH2+]CCCN(C)C(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419413378 1194030710 /nfs/dbraw/zinc/03/07/10/1194030710.db2.gz FLIGFYDSBCWKFL-IBGZPJMESA-N 1 3 389.544 0.549 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000419512756 1194051017 /nfs/dbraw/zinc/05/10/17/1194051017.db2.gz KUVOXSUSNCWAAB-GOSISDBHSA-N 1 3 387.528 0.492 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)c1 ZINC000419517450 1194052212 /nfs/dbraw/zinc/05/22/12/1194052212.db2.gz WXWLPUJTXMJMPF-SFHVURJKSA-N 1 3 389.544 0.819 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419522754 1194054003 /nfs/dbraw/zinc/05/40/03/1194054003.db2.gz NJRKIIDYZCBVQX-IRXDYDNUSA-N 1 3 395.548 0.069 20 0 GCADHO COC[C@H](NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419543965 1194056358 /nfs/dbraw/zinc/05/63/58/1194056358.db2.gz URUFKJGIGVHFMU-SFHVURJKSA-N 1 3 388.512 0.637 20 0 GCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000419693540 1194086234 /nfs/dbraw/zinc/08/62/34/1194086234.db2.gz NLUIETLWOJIKIB-GOSISDBHSA-N 1 3 389.544 0.506 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000419725634 1194088315 /nfs/dbraw/zinc/08/83/15/1194088315.db2.gz SQQJGPYXHXUDKB-CRAIPNDOSA-N 1 3 388.512 0.996 20 0 GCADHO COc1cc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)ccc1OCC[NH+](C)C ZINC000419728036 1194088796 /nfs/dbraw/zinc/08/87/96/1194088796.db2.gz JXJXWIXJSRZRNX-GOEBONIOSA-N 1 3 390.484 0.737 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000419748163 1194095924 /nfs/dbraw/zinc/09/59/24/1194095924.db2.gz FMJZHHSKGPBXEO-USXIJHARSA-N 1 3 380.533 0.578 20 0 GCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419850286 1194114436 /nfs/dbraw/zinc/11/44/36/1194114436.db2.gz FKSLWISIRHRHLW-UHFFFAOYSA-N 1 3 381.546 0.050 20 0 GCADHO C[C@@H](NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419878238 1194130114 /nfs/dbraw/zinc/13/01/14/1194130114.db2.gz FZPYTLOIQQMANF-MTNOOBJLSA-N 1 3 394.560 0.839 20 0 GCADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000419876530 1194130252 /nfs/dbraw/zinc/13/02/52/1194130252.db2.gz WCEZTJVXHJFRRA-IBGZPJMESA-N 1 3 387.528 0.351 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000419887865 1194133576 /nfs/dbraw/zinc/13/35/76/1194133576.db2.gz JMNVIXITNAFADL-IBGZPJMESA-N 1 3 387.528 0.131 20 0 GCADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419924813 1194139767 /nfs/dbraw/zinc/13/97/67/1194139767.db2.gz NFWXFXOKTUTIHJ-UHFFFAOYSA-N 1 3 386.418 0.931 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419971806 1194150326 /nfs/dbraw/zinc/15/03/26/1194150326.db2.gz XJMDYQBFBJERSH-KRWDZBQOSA-N 1 3 395.548 0.023 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000420030649 1194160267 /nfs/dbraw/zinc/16/02/67/1194160267.db2.gz GPKTWIUPVRKIIN-GOEBONIOSA-N 1 3 384.521 0.175 20 0 GCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420062784 1194165104 /nfs/dbraw/zinc/16/51/04/1194165104.db2.gz NCQTYWXXPRELLV-RHSMWYFYSA-N 1 3 394.491 0.945 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000420044043 1194167634 /nfs/dbraw/zinc/16/76/34/1194167634.db2.gz OZLPTOVYWODBGB-ZAWLATJESA-N 1 3 394.560 0.968 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420043651 1194168281 /nfs/dbraw/zinc/16/82/81/1194168281.db2.gz OUDXQCBJFMGKIG-CIRFHOKZSA-N 1 3 380.533 0.578 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000420111453 1194181443 /nfs/dbraw/zinc/18/14/43/1194181443.db2.gz WUAURXQPYVYLRP-LZJOCLMNSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCCC3=CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000420162976 1194191751 /nfs/dbraw/zinc/19/17/51/1194191751.db2.gz JRHRQZFLLAYUSA-CALCHBBNSA-N 1 3 392.544 0.760 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000420178476 1194195714 /nfs/dbraw/zinc/19/57/14/1194195714.db2.gz ANPRBZYSLNGTAO-GOSISDBHSA-N 1 3 392.500 0.080 20 0 GCADHO CC[C@H]1COCCN1C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420196844 1194201622 /nfs/dbraw/zinc/20/16/22/1194201622.db2.gz AALAOLLECBZJOL-SFHVURJKSA-N 1 3 388.512 0.734 20 0 GCADHO COCCCN(C)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420197019 1194202053 /nfs/dbraw/zinc/20/20/53/1194202053.db2.gz AUABFJHVDSWAHE-UHFFFAOYSA-N 1 3 376.501 0.591 20 0 GCADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420199053 1194203253 /nfs/dbraw/zinc/20/32/53/1194203253.db2.gz NAWVAADXUHIQDN-SFHVURJKSA-N 1 3 376.501 0.462 20 0 GCADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420202347 1194203430 /nfs/dbraw/zinc/20/34/30/1194203430.db2.gz PCHJKBHZZGFVHG-AEFFLSMTSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420202347 1194203432 /nfs/dbraw/zinc/20/34/32/1194203432.db2.gz PCHJKBHZZGFVHG-AEFFLSMTSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420202348 1194203802 /nfs/dbraw/zinc/20/38/02/1194203802.db2.gz PCHJKBHZZGFVHG-FUHWJXTLSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420202348 1194203805 /nfs/dbraw/zinc/20/38/05/1194203805.db2.gz PCHJKBHZZGFVHG-FUHWJXTLSA-N 1 3 380.533 0.594 20 0 GCADHO CC[C@@]1(O)CCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420202238 1194203817 /nfs/dbraw/zinc/20/38/17/1194203817.db2.gz JCNLLVFJPNMBHQ-OAQYLSRUSA-N 1 3 388.512 0.470 20 0 GCADHO CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)[NH2+][C@@H](C)c1ccccc1 ZINC000420187776 1194206644 /nfs/dbraw/zinc/20/66/44/1194206644.db2.gz BXYSYRYXAGWCJH-UHOSZYNNSA-N 1 3 390.528 0.973 20 0 GCADHO C[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420209596 1194211475 /nfs/dbraw/zinc/21/14/75/1194211475.db2.gz TYYRNXUXPGXIRM-SJLPKXTDSA-N 1 3 388.512 0.325 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000420213924 1194213977 /nfs/dbraw/zinc/21/39/77/1194213977.db2.gz ZEQLGNHWNKXTRD-CALCHBBNSA-N 1 3 388.512 0.732 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC[C@@H](C)C1 ZINC000501648608 1194219245 /nfs/dbraw/zinc/21/92/45/1194219245.db2.gz YKDORIXNMGDQGA-SQNIBIBYSA-N 1 3 394.560 0.840 20 0 GCADHO COCC[N@H+](C)CCCC1CCN(CC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000501776761 1194229059 /nfs/dbraw/zinc/22/90/59/1194229059.db2.gz RZFDRQILUXIELB-UHFFFAOYSA-N 1 3 382.549 0.748 20 0 GCADHO COCC[N@@H+](C)CCCC1CCN(CC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000501776761 1194229062 /nfs/dbraw/zinc/22/90/62/1194229062.db2.gz RZFDRQILUXIELB-UHFFFAOYSA-N 1 3 382.549 0.748 20 0 GCADHO CCOC(=O)CCCNC(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000421001801 1194282819 /nfs/dbraw/zinc/28/28/19/1194282819.db2.gz GAYUROVQSOPUBB-UHFFFAOYSA-N 1 3 382.549 0.938 20 0 GCADHO CCOC(=O)CCCNC(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000421001801 1194282823 /nfs/dbraw/zinc/28/28/23/1194282823.db2.gz GAYUROVQSOPUBB-UHFFFAOYSA-N 1 3 382.549 0.938 20 0 GCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000421406439 1194336994 /nfs/dbraw/zinc/33/69/94/1194336994.db2.gz UCLWWXCCEQBCOX-KRWDZBQOSA-N 1 3 376.501 0.796 20 0 GCADHO COCCN1CC[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000607416288 1194357170 /nfs/dbraw/zinc/35/71/70/1194357170.db2.gz MGCDFEXFAOLECP-UYAOXDASSA-N 1 3 376.501 0.643 20 0 GCADHO COCCN1CC[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000607416288 1194357175 /nfs/dbraw/zinc/35/71/75/1194357175.db2.gz MGCDFEXFAOLECP-UYAOXDASSA-N 1 3 376.501 0.643 20 0 GCADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2)C[C@H](C)O1 ZINC000422111722 1194392632 /nfs/dbraw/zinc/39/26/32/1194392632.db2.gz DKNAXDIXBZBHBW-SCTDSRPQSA-N 1 3 394.560 0.887 20 0 GCADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2)C[C@H](C)O1 ZINC000422111722 1194392635 /nfs/dbraw/zinc/39/26/35/1194392635.db2.gz DKNAXDIXBZBHBW-SCTDSRPQSA-N 1 3 394.560 0.887 20 0 GCADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000503183729 1194403574 /nfs/dbraw/zinc/40/35/74/1194403574.db2.gz UXVRUPNYNJJXRD-HZPDHXFCSA-N 1 3 390.532 0.924 20 0 GCADHO CN(CCC[NH+]1CCN(C)CC1)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000272582864 1194475584 /nfs/dbraw/zinc/47/55/84/1194475584.db2.gz WKKJJIUHLGDFCL-UHFFFAOYSA-N 1 3 387.572 0.900 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000664302806 1194577297 /nfs/dbraw/zinc/57/72/97/1194577297.db2.gz HQHOTVXELBJYFQ-UHFFFAOYSA-N 1 3 385.553 0.537 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)[C@H](C)C1 ZINC000422325503 1194614907 /nfs/dbraw/zinc/61/49/07/1194614907.db2.gz KEIAGIWOAMLBKO-SQNIBIBYSA-N 1 3 382.549 0.792 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)[C@H](C)C1 ZINC000422325503 1194614910 /nfs/dbraw/zinc/61/49/10/1194614910.db2.gz KEIAGIWOAMLBKO-SQNIBIBYSA-N 1 3 382.549 0.792 20 0 GCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000422395133 1194635216 /nfs/dbraw/zinc/63/52/16/1194635216.db2.gz IMJCEHHRFYZKGQ-GBESFXJTSA-N 1 3 394.560 0.812 20 0 GCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000422396579 1194635854 /nfs/dbraw/zinc/63/58/54/1194635854.db2.gz LGFSJQUGJAQFIM-QGZVFWFLSA-N 1 3 391.516 0.579 20 0 GCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423066950 1194723998 /nfs/dbraw/zinc/72/39/98/1194723998.db2.gz YGRMBKWWQCKOLO-ZWKOTPCHSA-N 1 3 382.549 0.778 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423095479 1194726857 /nfs/dbraw/zinc/72/68/57/1194726857.db2.gz MNEZUALXHFNUQS-FQEVSTJZSA-N 1 3 376.476 0.928 20 0 GCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423184285 1194733710 /nfs/dbraw/zinc/73/37/10/1194733710.db2.gz IEDVHBFNQXYTHQ-IBGZPJMESA-N 1 3 393.576 0.463 20 0 GCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423184286 1194734186 /nfs/dbraw/zinc/73/41/86/1194734186.db2.gz IEDVHBFNQXYTHQ-LJQANCHMSA-N 1 3 393.576 0.463 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423166634 1194734457 /nfs/dbraw/zinc/73/44/57/1194734457.db2.gz RJOKXHMBGOWLKD-SLFFLAALSA-N 1 3 399.539 0.962 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423164700 1194734689 /nfs/dbraw/zinc/73/46/89/1194734689.db2.gz OXILWHVEPNXRDD-WMZOPIPTSA-N 1 3 376.476 0.926 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423212063 1194737486 /nfs/dbraw/zinc/73/74/86/1194737486.db2.gz ZOGHUPAHCWCXAI-KURKYZTESA-N 1 3 394.560 0.922 20 0 GCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423210829 1194737651 /nfs/dbraw/zinc/73/76/51/1194737651.db2.gz XRPXDYHQBIIHOV-LNLFQRSKSA-N 1 3 394.560 0.792 20 0 GCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423201532 1194739046 /nfs/dbraw/zinc/73/90/46/1194739046.db2.gz ITKMPYAWLLICJG-KRWDZBQOSA-N 1 3 396.919 0.806 20 0 GCADHO C[NH2+]C1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000423497677 1194761177 /nfs/dbraw/zinc/76/11/77/1194761177.db2.gz HFQLMHPUKKBLED-IAGOWNOFSA-N 1 3 394.560 0.935 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1)Cc1ccccc1 ZINC000423707664 1194787038 /nfs/dbraw/zinc/78/70/38/1194787038.db2.gz DVWVZILBSRYGFV-UXHICEINSA-N 1 3 399.539 0.083 20 0 GCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000424454847 1194815187 /nfs/dbraw/zinc/81/51/87/1194815187.db2.gz MIXVBVBDFNQJFP-KRWDZBQOSA-N 1 3 387.484 0.157 20 0 GCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424518241 1194821338 /nfs/dbraw/zinc/82/13/38/1194821338.db2.gz HOKWXSWDBYTMJA-ZWKOTPCHSA-N 1 3 393.576 0.367 20 0 GCADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000414798129 1194825477 /nfs/dbraw/zinc/82/54/77/1194825477.db2.gz DYYVMZOYVYQXPA-HNNXBMFYSA-N 1 3 387.484 0.411 20 0 GCADHO C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CCCNCC3)CC2)C[C@@H](C)O1 ZINC000514667696 1194893147 /nfs/dbraw/zinc/89/31/47/1194893147.db2.gz NURZDLQRUNQGLZ-IAGOWNOFSA-N 1 3 380.533 0.546 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000664475363 1194895751 /nfs/dbraw/zinc/89/57/51/1194895751.db2.gz PSBFUXJWZRRHLJ-ZWKOTPCHSA-N 1 3 397.564 0.416 20 0 GCADHO C[NH+](C)CCCOc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000515073861 1194945850 /nfs/dbraw/zinc/94/58/50/1194945850.db2.gz LPPQSZYMXSYWLV-FUHWJXTLSA-N 1 3 389.500 0.471 20 0 GCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425398512 1194951472 /nfs/dbraw/zinc/95/14/72/1194951472.db2.gz IEOXDAULYDRMLP-OKZBNKHCSA-N 1 3 380.533 0.498 20 0 GCADHO CN1CCN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000515405846 1194972792 /nfs/dbraw/zinc/97/27/92/1194972792.db2.gz JXALMEJLJVPTCZ-HXUWFJFHSA-N 1 3 388.560 0.873 20 0 GCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000515500875 1194978549 /nfs/dbraw/zinc/97/85/49/1194978549.db2.gz QNPLRKVHCIBJEA-NVXWUHKLSA-N 1 3 391.520 0.137 20 0 GCADHO COCC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000515500442 1194978676 /nfs/dbraw/zinc/97/86/76/1194978676.db2.gz VUFNUINTTDIXQD-YLJYHZDGSA-N 1 3 390.484 0.122 20 0 GCADHO COCC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000515500442 1194978677 /nfs/dbraw/zinc/97/86/77/1194978677.db2.gz VUFNUINTTDIXQD-YLJYHZDGSA-N 1 3 390.484 0.122 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000516139506 1195025539 /nfs/dbraw/zinc/02/55/39/1195025539.db2.gz BQTQHIFVUUCPOM-OAHLLOKOSA-N 1 3 380.493 0.162 20 0 GCADHO CC1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000517198474 1195150788 /nfs/dbraw/zinc/15/07/88/1195150788.db2.gz FCTYYBQADXSSLT-MSOLQXFVSA-N 1 3 380.533 0.329 20 0 GCADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000517720992 1195209727 /nfs/dbraw/zinc/20/97/27/1195209727.db2.gz DCKOXVZRJSJQMV-LJQANCHMSA-N 1 3 390.528 0.898 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC(C)CC1 ZINC000518247550 1195271321 /nfs/dbraw/zinc/27/13/21/1195271321.db2.gz FKUQRWRTKVMBQV-QRQLOZEOSA-N 1 3 394.560 0.717 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C)cn(C)c1=O ZINC000439209064 1195296858 /nfs/dbraw/zinc/29/68/58/1195296858.db2.gz LMSWTAUZHFUXFT-MRXNPFEDSA-N 1 3 391.516 0.507 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C)cn(C)c1=O ZINC000439209064 1195296860 /nfs/dbraw/zinc/29/68/60/1195296860.db2.gz LMSWTAUZHFUXFT-MRXNPFEDSA-N 1 3 391.516 0.507 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000518802355 1195335529 /nfs/dbraw/zinc/33/55/29/1195335529.db2.gz ALDBCYNZBUZALL-MJGOQNOKSA-N 1 3 391.560 0.214 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000518802355 1195335533 /nfs/dbraw/zinc/33/55/33/1195335533.db2.gz ALDBCYNZBUZALL-MJGOQNOKSA-N 1 3 391.560 0.214 20 0 GCADHO CN1CCC([NH+]2CCC(NC(=O)NCCCN3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000519353639 1195395939 /nfs/dbraw/zinc/39/59/39/1195395939.db2.gz UDNLEKHCBBDIFJ-GOSISDBHSA-N 1 3 394.564 0.184 20 0 GCADHO COc1cccc([C@H](CNC(=O)C(=O)N2CCN(C)CC[C@@H]2C)N(C)C)c1 ZINC000550029562 1195408415 /nfs/dbraw/zinc/40/84/15/1195408415.db2.gz RFWMZZRDYVQELJ-YJBOKZPZSA-N 1 3 376.501 0.967 20 0 GCADHO COc1cccc([C@H](CNC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)N(C)C)c1 ZINC000550029562 1195408417 /nfs/dbraw/zinc/40/84/17/1195408417.db2.gz RFWMZZRDYVQELJ-YJBOKZPZSA-N 1 3 376.501 0.967 20 0 GCADHO COc1cccc([C@H](CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)N(C)C)c1 ZINC000550029562 1195408420 /nfs/dbraw/zinc/40/84/20/1195408420.db2.gz RFWMZZRDYVQELJ-YJBOKZPZSA-N 1 3 376.501 0.967 20 0 GCADHO CC(C)Nc1nc(NCCO)nc(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000550345979 1195639336 /nfs/dbraw/zinc/63/93/36/1195639336.db2.gz OBANMAVUZAHAEQ-UHFFFAOYSA-N 1 3 385.516 0.438 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1)N1CCN(C)CC1 ZINC000550382364 1195650661 /nfs/dbraw/zinc/65/06/61/1195650661.db2.gz SGMUIWRVAXHCLD-MSOLQXFVSA-N 1 3 381.565 0.365 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C(C)C)N1CC[NH+](C)CC1 ZINC000550383748 1195651379 /nfs/dbraw/zinc/65/13/79/1195651379.db2.gz RYWHLHVYUJIJQI-ROUUACIJSA-N 1 3 381.565 0.173 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000520771813 1195852401 /nfs/dbraw/zinc/85/24/01/1195852401.db2.gz BSONHHSLKYSYML-OALUTQOASA-N 1 3 385.512 0.821 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC[C@@H](C(=O)N(C)C)O3)CC2)CC1 ZINC000521066737 1195959110 /nfs/dbraw/zinc/95/91/10/1195959110.db2.gz OHYMYTHTGHHJBC-MOPGFXCFSA-N 1 3 394.560 0.935 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC[C@@H](C(=O)N(C)C)O3)CC2)CC1 ZINC000521066738 1195959388 /nfs/dbraw/zinc/95/93/88/1195959388.db2.gz OHYMYTHTGHHJBC-OALUTQOASA-N 1 3 394.560 0.935 20 0 GCADHO COCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CC1 ZINC000521262020 1195982147 /nfs/dbraw/zinc/98/21/47/1195982147.db2.gz DEXGLPLWJJBLQP-UHFFFAOYSA-N 1 3 392.500 0.922 20 0 GCADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000443069847 1196018268 /nfs/dbraw/zinc/01/82/68/1196018268.db2.gz KQHNMSNUNQLWEQ-KRWDZBQOSA-N 1 3 394.541 0.580 20 0 GCADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000522014965 1196034687 /nfs/dbraw/zinc/03/46/87/1196034687.db2.gz RTIORQQKDLOORW-SJORKVTESA-N 1 3 387.484 0.237 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CCN4C(=O)CNC4=O)C[C@H]3C2)CC[N@@H+]1C ZINC001087972027 1196142873 /nfs/dbraw/zinc/14/28/73/1196142873.db2.gz GTQRPVMLDBNOQA-LTIDMASMSA-N 1 3 391.516 0.049 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CCN4C(=O)CNC4=O)C[C@H]3C2)CC[N@H+]1C ZINC001087972027 1196142874 /nfs/dbraw/zinc/14/28/74/1196142874.db2.gz GTQRPVMLDBNOQA-LTIDMASMSA-N 1 3 391.516 0.049 20 0 GCADHO CCN1CCC([NH+]2CCC(C(=O)N[C@H](C)[C@@H]3CN(C)CCN3C)CC2)CC1 ZINC000896539740 1196157120 /nfs/dbraw/zinc/15/71/20/1196157120.db2.gz BFTQFCBEJJKVHG-XLIONFOSSA-N 1 3 379.593 0.933 20 0 GCADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000523701125 1196550929 /nfs/dbraw/zinc/55/09/29/1196550929.db2.gz AAWHAOJYYLSGDL-UHFFFAOYSA-N 1 3 383.581 0.892 20 0 GCADHO CC(C)(C)[N@H+]1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000523701125 1196550933 /nfs/dbraw/zinc/55/09/33/1196550933.db2.gz AAWHAOJYYLSGDL-UHFFFAOYSA-N 1 3 383.581 0.892 20 0 GCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000524419719 1196594498 /nfs/dbraw/zinc/59/44/98/1196594498.db2.gz YSFHNYOBZDMLGH-RBUKOAKNSA-N 1 3 387.528 0.997 20 0 GCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000524419719 1196594502 /nfs/dbraw/zinc/59/45/02/1196594502.db2.gz YSFHNYOBZDMLGH-RBUKOAKNSA-N 1 3 387.528 0.997 20 0 GCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000524619482 1196610972 /nfs/dbraw/zinc/61/09/72/1196610972.db2.gz UPIWPVYUVVTEQE-ROUUACIJSA-N 1 3 397.564 0.321 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000525882402 1196720900 /nfs/dbraw/zinc/72/09/00/1196720900.db2.gz DLGKOHDRXKLKGH-QGZVFWFLSA-N 1 3 387.528 0.954 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000527373743 1196784171 /nfs/dbraw/zinc/78/41/71/1196784171.db2.gz DJIAMJJMXRRTKA-INIZCTEOSA-N 1 3 392.500 0.745 20 0 GCADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000391038347 1196960550 /nfs/dbraw/zinc/96/05/50/1196960550.db2.gz QCAYNIUDOIZHMN-MJGOQNOKSA-N 1 3 376.501 0.493 20 0 GCADHO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)CN3CCN(C)CC3)C2)CC1 ZINC000531584718 1197085576 /nfs/dbraw/zinc/08/55/76/1197085576.db2.gz GZIMEUROZXTGCL-OALUTQOASA-N 1 3 380.581 0.432 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc2ncnn2c1 ZINC000453713327 1197125243 /nfs/dbraw/zinc/12/52/43/1197125243.db2.gz UOJHELUOUDQNNB-INIZCTEOSA-N 1 3 387.488 0.542 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc2ncnn2c1 ZINC000453713327 1197125246 /nfs/dbraw/zinc/12/52/46/1197125246.db2.gz UOJHELUOUDQNNB-INIZCTEOSA-N 1 3 387.488 0.542 20 0 GCADHO C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)CN1CCN(C)CC1 ZINC000532264894 1197132328 /nfs/dbraw/zinc/13/23/28/1197132328.db2.gz FFMKCTDTZPCBEQ-BHIYHBOVSA-N 1 3 381.565 0.547 20 0 GCADHO CN(C)[C@H](CNC(=O)CSc1nnnn1CC[NH+](C)C)c1ccccc1 ZINC000532273711 1197133280 /nfs/dbraw/zinc/13/32/80/1197133280.db2.gz NQDYCKFOTROHBM-OAHLLOKOSA-N 1 3 377.518 0.746 20 0 GCADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453802062 1197137697 /nfs/dbraw/zinc/13/76/97/1197137697.db2.gz BDRDTUGEYJLTQC-QGZVFWFLSA-N 1 3 376.501 0.958 20 0 GCADHO [NH3+]Cc1cccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000666627401 1197313320 /nfs/dbraw/zinc/31/33/20/1197313320.db2.gz DCUSBAHANLLOLX-LJQANCHMSA-N 1 3 382.464 0.619 20 0 GCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000120876793 1197342510 /nfs/dbraw/zinc/34/25/10/1197342510.db2.gz QLAIGGZQIFHEGJ-ROUUACIJSA-N 1 3 379.549 0.912 20 0 GCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000120876793 1197342512 /nfs/dbraw/zinc/34/25/12/1197342512.db2.gz QLAIGGZQIFHEGJ-ROUUACIJSA-N 1 3 379.549 0.912 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCNC(=O)c3cccnc3)CC2)CC1 ZINC000127502746 1197361112 /nfs/dbraw/zinc/36/11/12/1197361112.db2.gz LPZABXIQKCHEMA-UHFFFAOYSA-N 1 3 388.516 0.669 20 0 GCADHO CN(C)CCN1C[C@H](C(=O)NCC2([NH+]3CCCCC3)CCOCC2)CC1=O ZINC000074367245 1197472287 /nfs/dbraw/zinc/47/22/87/1197472287.db2.gz MTTSGPZOPYQUPS-QGZVFWFLSA-N 1 3 380.533 0.548 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)CCN2CCN(C)CC2)CC1=O ZINC000249296691 1197482594 /nfs/dbraw/zinc/48/25/94/1197482594.db2.gz MPAFHPKTAPXSLA-CEXWTWQISA-N 1 3 393.576 0.461 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)CCN2CCN(C)CC2)CC1=O ZINC000249296691 1197482597 /nfs/dbraw/zinc/48/25/97/1197482597.db2.gz MPAFHPKTAPXSLA-CEXWTWQISA-N 1 3 393.576 0.461 20 0 GCADHO CCN1CCN(CCC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261873032 1197517138 /nfs/dbraw/zinc/51/71/38/1197517138.db2.gz OICYGGKGUZHAQH-MSOLQXFVSA-N 1 3 379.549 0.121 20 0 GCADHO CN(C)CCn1nccc1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000455644589 1197558367 /nfs/dbraw/zinc/55/83/67/1197558367.db2.gz GKAMGWBUPXOBPY-UHFFFAOYSA-N 1 3 379.509 0.558 20 0 GCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)C2)C1 ZINC000656028634 1199065686 /nfs/dbraw/zinc/06/56/86/1199065686.db2.gz NZTBEZPTMQTUSI-FQBWVUSXSA-N 1 3 392.544 0.864 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(C)CC1 ZINC000656288361 1199161271 /nfs/dbraw/zinc/16/12/71/1199161271.db2.gz AYHQHYLJZHJBDR-QRVBRYPASA-N 1 3 393.576 0.508 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(C)CC1 ZINC000656288361 1199161274 /nfs/dbraw/zinc/16/12/74/1199161274.db2.gz AYHQHYLJZHJBDR-QRVBRYPASA-N 1 3 393.576 0.508 20 0 GCADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672304468 1199196651 /nfs/dbraw/zinc/19/66/51/1199196651.db2.gz VFJDZXSTRAAJPC-QGZVFWFLSA-N 1 3 378.517 0.348 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465949041 1199216904 /nfs/dbraw/zinc/21/69/04/1199216904.db2.gz MMTBYZIKMJUUKH-SJORKVTESA-N 1 3 383.537 0.326 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465949041 1199216907 /nfs/dbraw/zinc/21/69/07/1199216907.db2.gz MMTBYZIKMJUUKH-SJORKVTESA-N 1 3 383.537 0.326 20 0 GCADHO Cc1nccn1CCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672641115 1199298312 /nfs/dbraw/zinc/29/83/12/1199298312.db2.gz NFAZVRVHSABKJJ-QGZVFWFLSA-N 1 3 390.532 0.373 20 0 GCADHO Cc1nccn1CCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672641115 1199298316 /nfs/dbraw/zinc/29/83/16/1199298316.db2.gz NFAZVRVHSABKJJ-QGZVFWFLSA-N 1 3 390.532 0.373 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000625465410 1199964110 /nfs/dbraw/zinc/96/41/10/1199964110.db2.gz NLMMXGBJATYUOC-HXUWFJFHSA-N 1 3 392.500 0.285 20 0 GCADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000377326190 1200847561 /nfs/dbraw/zinc/84/75/61/1200847561.db2.gz BEITUGHIHHBSOG-UHFFFAOYSA-N 1 3 390.532 1.423 20 0 GCADHO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000923486772 1201036915 /nfs/dbraw/zinc/03/69/15/1201036915.db2.gz JRASOHMDHDWIHU-QGZVFWFLSA-N 1 3 394.541 0.331 20 0 GCADHO CCNC(=O)c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1 ZINC000527374186 1201362618 /nfs/dbraw/zinc/36/26/18/1201362618.db2.gz XHHDXWCCPRPSGE-UHFFFAOYSA-N 1 3 391.516 0.635 20 0 GCADHO C[C@@H]1CN(C[C@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@H](C)O1 ZINC000497513470 1201403993 /nfs/dbraw/zinc/40/39/93/1201403993.db2.gz ZPXIMOHDWURISN-VXPDMUIRSA-N 1 3 380.577 0.699 20 0 GCADHO C[C@@H]1CN(C[C@H](O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@H](C)O1 ZINC000497513470 1201403996 /nfs/dbraw/zinc/40/39/96/1201403996.db2.gz ZPXIMOHDWURISN-VXPDMUIRSA-N 1 3 380.577 0.699 20 0 GCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000731502083 1201485524 /nfs/dbraw/zinc/48/55/24/1201485524.db2.gz GJQWYYJNXWFQCU-DLBZAZTESA-N 1 3 381.521 0.092 20 0 GCADHO CN1CCN(C(C)(C)CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734268026 1201649008 /nfs/dbraw/zinc/64/90/08/1201649008.db2.gz UTALSJRHNKDBBD-GOSISDBHSA-N 1 3 381.565 0.955 20 0 GCADHO CCC[C@H]1CN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CCN1CCOC ZINC000766377361 1201920895 /nfs/dbraw/zinc/92/08/95/1201920895.db2.gz AETHUIXVOBLXOW-INIZCTEOSA-N 1 3 381.521 0.393 20 0 GCADHO CC(=O)N1CC[C@H](N2CCC([NH+]3CCC(N4CCN(C)CC4)CC3)CC2)C1 ZINC001169563053 1201951268 /nfs/dbraw/zinc/95/12/68/1201951268.db2.gz KLJZLHGTXXBLGP-NRFANRHFSA-N 1 3 377.577 0.783 20 0 GCADHO CC(=O)N1CC[C@@H](N2CCC([NH+]3CCC(N4CCN(C)CC4)CC3)CC2)C1 ZINC001169563054 1201951286 /nfs/dbraw/zinc/95/12/86/1201951286.db2.gz KLJZLHGTXXBLGP-OAQYLSRUSA-N 1 3 377.577 0.783 20 0 GCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109419574 1202042187 /nfs/dbraw/zinc/04/21/87/1202042187.db2.gz WEYRGGKVHKLWLS-RDGPPVDQSA-N 1 3 380.533 0.735 20 0 GCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109419574 1202042193 /nfs/dbraw/zinc/04/21/93/1202042193.db2.gz WEYRGGKVHKLWLS-RDGPPVDQSA-N 1 3 380.533 0.735 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000787909848 1205407343 /nfs/dbraw/zinc/40/73/43/1205407343.db2.gz KLYOMSARAMLPHZ-HCXYKTFWSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000787909848 1205407346 /nfs/dbraw/zinc/40/73/46/1205407346.db2.gz KLYOMSARAMLPHZ-HCXYKTFWSA-N 1 3 394.560 0.840 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCSC1 ZINC000788252799 1205417494 /nfs/dbraw/zinc/41/74/94/1205417494.db2.gz QFVJPCZKCPINBU-APWZRJJASA-N 1 3 398.573 0.300 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H](N)[C@@H]([N+](=c2ccccn2C)[C@H](O)OC(C)(C)C)C1 ZINC001170389495 1205491367 /nfs/dbraw/zinc/49/13/67/1205491367.db2.gz QZBYNZAHYQAYEU-BEIYGRMHSA-N 1 3 381.541 0.785 20 0 GCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793708615 1205503093 /nfs/dbraw/zinc/50/30/93/1205503093.db2.gz IZGFNAVTFVVUPT-QZTJIDSGSA-N 1 3 382.549 0.936 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCCCC1 ZINC000793708207 1205504526 /nfs/dbraw/zinc/50/45/26/1205504526.db2.gz LSBSGGOZAVJIED-DLBZAZTESA-N 1 3 380.533 0.594 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N1CCCCC1 ZINC000793705571 1205504692 /nfs/dbraw/zinc/50/46/92/1205504692.db2.gz FJXHWSKPTBRHRF-QRVBRYPASA-N 1 3 393.576 0.461 20 0 GCADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)([NH+](C)C)C1 ZINC000793815141 1205507260 /nfs/dbraw/zinc/50/72/60/1205507260.db2.gz WFQUWFTYPCCJCG-YZLZLFLDSA-N 1 3 380.533 0.593 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCCOCC3CC3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129857833 1205521197 /nfs/dbraw/zinc/52/11/97/1205521197.db2.gz GXZACBDTJDDSIM-MANSERQUSA-N 1 3 390.532 0.777 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCCOCC3CC3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129857833 1205521200 /nfs/dbraw/zinc/52/12/00/1205521200.db2.gz GXZACBDTJDDSIM-MANSERQUSA-N 1 3 390.532 0.777 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCCOCC3CCC3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129856096 1205521211 /nfs/dbraw/zinc/52/12/11/1205521211.db2.gz XAROXNPRCWFIDT-OWYHZJEWSA-N 1 3 390.532 0.777 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCCOCC3CCC3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129856096 1205521214 /nfs/dbraw/zinc/52/12/14/1205521214.db2.gz XAROXNPRCWFIDT-OWYHZJEWSA-N 1 3 390.532 0.777 20 0 GCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1NCCN(C)CC[NH3+] ZINC001170499758 1205550184 /nfs/dbraw/zinc/55/01/84/1205550184.db2.gz VEXJQDIEQNPBBM-HNNXBMFYSA-N 1 3 381.521 0.490 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000806697468 1205562785 /nfs/dbraw/zinc/56/27/85/1205562785.db2.gz HSRSBPZMCBKUDJ-INIZCTEOSA-N 1 3 384.521 0.130 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COC2(CCCCCC2)O1 ZINC000809674169 1205628405 /nfs/dbraw/zinc/62/84/05/1205628405.db2.gz AWRZDDPGZIWQBE-QGZVFWFLSA-N 1 3 398.548 0.520 20 0 GCADHO CON(C)C(=O)C1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000813051789 1205672746 /nfs/dbraw/zinc/67/27/46/1205672746.db2.gz TUKBCDBRSZQMIZ-UHFFFAOYSA-N 1 3 395.548 0.986 20 0 GCADHO CCCc1nnc(SCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1N ZINC000813429924 1205676312 /nfs/dbraw/zinc/67/63/12/1205676312.db2.gz IGJVIEUAUKRGDO-UHFFFAOYSA-N 1 3 395.577 0.711 20 0 GCADHO C[C@H](O)CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001181356008 1205842620 /nfs/dbraw/zinc/84/26/20/1205842620.db2.gz IUVRTGNRQSIAQH-HHHJXDIYSA-N 1 3 375.510 0.053 20 0 GCADHO CO[C@H](C)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001181459754 1205844243 /nfs/dbraw/zinc/84/42/43/1205844243.db2.gz HPLXJXQZIBMPKF-INSRFAMQSA-N 1 3 375.510 0.317 20 0 GCADHO CO[C@H](C)CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001181601937 1205847299 /nfs/dbraw/zinc/84/72/99/1205847299.db2.gz SARUGUZCFSLKQO-UNEDIJHXSA-N 1 3 389.537 0.707 20 0 GCADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)C4(O)CC[NH+](C)CC4)C3)O2)CC1 ZINC001182031043 1205853563 /nfs/dbraw/zinc/85/35/63/1205853563.db2.gz JEVQTQMFQCCSDO-UYAOXDASSA-N 1 3 394.560 0.231 20 0 GCADHO CN1CCC(O)(C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)CC1 ZINC001182031076 1205853907 /nfs/dbraw/zinc/85/39/07/1205853907.db2.gz LHNIJGKERPZREQ-KBXCAEBGSA-N 1 3 378.448 0.531 20 0 GCADHO Cc1ccc(N(C(=O)C2(O)CCN(C)CC2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001182032910 1205854052 /nfs/dbraw/zinc/85/40/52/1205854052.db2.gz VZCJJRUCEGLFPW-LPHOPBHVSA-N 1 3 389.500 0.486 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCCS(=O)(=O)N(C)C)C[C@H]32)CC[N@@H+]1C ZINC001187958403 1205972208 /nfs/dbraw/zinc/97/22/08/1205972208.db2.gz SYWHMCXUFJYCJU-YYIAUSFCSA-N 1 3 386.562 0.141 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCCS(=O)(=O)N(C)C)C[C@H]32)CC[N@H+]1C ZINC001187958403 1205972209 /nfs/dbraw/zinc/97/22/09/1205972209.db2.gz SYWHMCXUFJYCJU-YYIAUSFCSA-N 1 3 386.562 0.141 20 0 GCADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCCCC1 ZINC000775220890 1205995529 /nfs/dbraw/zinc/99/55/29/1205995529.db2.gz CTDVBNCIFZHCPU-DLBZAZTESA-N 1 3 380.533 0.737 20 0 GCADHO Cn1nnc2c1CCN(c1cc3c(nn1)CCNC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164715762 720189471 /nfs/dbraw/zinc/18/94/71/720189471.db2.gz NDRBKHBERSUJND-SFHVURJKSA-N 1 3 398.515 0.467 20 0 GCADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc3c(nn1)CCNC3)CCC2 ZINC001164814553 720228453 /nfs/dbraw/zinc/22/84/53/720228453.db2.gz YDDXWCRSVCJKLI-UHFFFAOYSA-N 1 3 383.500 0.930 20 0 GCADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc3c(nn1)CCNC3)CCC2 ZINC001164814553 720228462 /nfs/dbraw/zinc/22/84/62/720228462.db2.gz YDDXWCRSVCJKLI-UHFFFAOYSA-N 1 3 383.500 0.930 20 0 GCADHO c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164866029 721061559 /nfs/dbraw/zinc/06/15/59/721061559.db2.gz BTIRVDXVJCWRKN-OALUTQOASA-N 1 3 395.511 0.761 20 0 GCADHO Cn1cc(CN2CC[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164765236 721091000 /nfs/dbraw/zinc/09/10/00/721091000.db2.gz ISQIVZBTTDRVQI-QZTJIDSGSA-N 1 3 382.516 0.578 20 0 GCADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001164927928 721876125 /nfs/dbraw/zinc/87/61/25/721876125.db2.gz XFWFYEAZTIOTMP-ZWKOTPCHSA-N 1 3 387.532 0.131 20 0 GCADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001164927928 721876127 /nfs/dbraw/zinc/87/61/27/721876127.db2.gz XFWFYEAZTIOTMP-ZWKOTPCHSA-N 1 3 387.532 0.131 20 0 GCADHO Cc1cc(N[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571252021 953323496 /nfs/dbraw/zinc/32/34/96/953323496.db2.gz FNYZJGUUYJLGAJ-CQSZACIVSA-N 1 3 384.488 0.879 20 0 GCADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419952115 530964170 /nfs/dbraw/zinc/96/41/70/530964170.db2.gz NXDJYUFAQKFCHK-UHFFFAOYSA-N 1 3 397.317 0.675 20 0 GCADHO C[NH+](C)CCOc1cc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)ccn1 ZINC000825870613 608101760 /nfs/dbraw/zinc/10/17/60/608101760.db2.gz UWSDSATYHZBRCU-CQSZACIVSA-N 1 3 398.475 0.230 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000881849361 641659195 /nfs/dbraw/zinc/65/91/95/641659195.db2.gz PCCHOKCATMQHMI-QKFKETGDSA-N 1 3 383.584 0.154 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000881849361 641659199 /nfs/dbraw/zinc/65/91/99/641659199.db2.gz PCCHOKCATMQHMI-QKFKETGDSA-N 1 3 383.584 0.154 20 0 GCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000881849360 641659399 /nfs/dbraw/zinc/65/93/99/641659399.db2.gz PCCHOKCATMQHMI-PSLXWICFSA-N 1 3 383.584 0.154 20 0 GCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000881849360 641659403 /nfs/dbraw/zinc/65/94/03/641659403.db2.gz PCCHOKCATMQHMI-PSLXWICFSA-N 1 3 383.584 0.154 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000809528628 641709594 /nfs/dbraw/zinc/70/95/94/641709594.db2.gz BWBVIPAAUAYULQ-ILXRZTDVSA-N 1 3 388.603 0.434 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1Br ZINC000130604827 641747497 /nfs/dbraw/zinc/74/74/97/641747497.db2.gz RKVHKGKBDNRFQX-UHFFFAOYSA-N 1 3 386.294 0.734 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000652279209 1192176213 /nfs/dbraw/zinc/17/62/13/1192176213.db2.gz PWYPDJRQRLACPR-UHFFFAOYSA-N 1 3 379.480 0.980 20 0 GCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000652349667 1192200391 /nfs/dbraw/zinc/20/03/91/1192200391.db2.gz YNGCAYIUBNAZLT-KURKYZTESA-N 1 3 388.516 0.344 20 0 GCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000652416508 1192219928 /nfs/dbraw/zinc/21/99/28/1192219928.db2.gz LFUHIEWVUHWQBJ-UHFFFAOYSA-N 1 3 393.576 0.417 20 0 GCADHO C[C@H](C(=O)N(C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)n1cccn1 ZINC000050797339 1192235378 /nfs/dbraw/zinc/23/53/78/1192235378.db2.gz IOGZWTJNKAUESQ-MRXNPFEDSA-N 1 3 390.532 0.577 20 0 GCADHO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CN(C)CCN3C)C2)cc1 ZINC000636702841 1192272601 /nfs/dbraw/zinc/27/26/01/1192272601.db2.gz ZUBPGDSTGAIDTN-RBUKOAKNSA-N 1 3 387.528 0.048 20 0 GCADHO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CN(C)CCN3C)C2)cc1 ZINC000636702841 1192272603 /nfs/dbraw/zinc/27/26/03/1192272603.db2.gz ZUBPGDSTGAIDTN-RBUKOAKNSA-N 1 3 387.528 0.048 20 0 GCADHO CC(C)(C)n1nnc(CCN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338928 1192285171 /nfs/dbraw/zinc/28/51/71/1192285171.db2.gz WZKOLEIXQVMNLZ-HNNXBMFYSA-N 1 3 387.536 0.983 20 0 GCADHO Cn1c(=O)cc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)n(C)c1=O ZINC000662329215 1192285962 /nfs/dbraw/zinc/28/59/62/1192285962.db2.gz ZTPINMDBZWGNRI-UHFFFAOYSA-N 1 3 386.500 0.654 20 0 GCADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000563151956 1192367748 /nfs/dbraw/zinc/36/77/48/1192367748.db2.gz ASXWMXJYBUMDKG-UHFFFAOYSA-N 1 3 382.549 0.624 20 0 GCADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000563151956 1192367754 /nfs/dbraw/zinc/36/77/54/1192367754.db2.gz ASXWMXJYBUMDKG-UHFFFAOYSA-N 1 3 382.549 0.624 20 0 GCADHO CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1 ZINC000663581035 1192401787 /nfs/dbraw/zinc/40/17/87/1192401787.db2.gz YVGAVOVQWYHJSL-RTBURBONSA-N 1 3 393.576 0.955 20 0 GCADHO C[C@@]1(NC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC[NH2+]C1 ZINC000663616237 1192418881 /nfs/dbraw/zinc/41/88/81/1192418881.db2.gz SUPKCUZNIUZVGL-HXUWFJFHSA-N 1 3 387.484 0.191 20 0 GCADHO CNS(=O)(=O)c1cccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000663647308 1192444206 /nfs/dbraw/zinc/44/42/06/1192444206.db2.gz VSDPYAYRBIDXQS-HNNXBMFYSA-N 1 3 399.561 0.666 20 0 GCADHO CNS(=O)(=O)c1cccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000663647308 1192444211 /nfs/dbraw/zinc/44/42/11/1192444211.db2.gz VSDPYAYRBIDXQS-HNNXBMFYSA-N 1 3 399.561 0.666 20 0 GCADHO CN(CCNC(=O)C1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1)Cc1ccccc1 ZINC000418673417 1192628607 /nfs/dbraw/zinc/62/86/07/1192628607.db2.gz OULVPKRJPOEQSS-PMOLBWCYSA-N 1 3 399.539 0.874 20 0 GCADHO CN(CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1)Cc1ccccc1 ZINC000418752056 1192639209 /nfs/dbraw/zinc/63/92/09/1192639209.db2.gz BEGAKENUPDOHRB-FQEVSTJZSA-N 1 3 388.560 0.349 20 0 GCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418752486 1192639856 /nfs/dbraw/zinc/63/98/56/1192639856.db2.gz BVVBSQOKNXBVLH-QRVBRYPASA-N 1 3 375.517 0.072 20 0 GCADHO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418765026 1192640326 /nfs/dbraw/zinc/64/03/26/1192640326.db2.gz AVZVHGWETIHKAA-IBGZPJMESA-N 1 3 387.528 0.655 20 0 GCADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418775368 1192642995 /nfs/dbraw/zinc/64/29/95/1192642995.db2.gz DSPXOZYZOGXWKB-KDURUIRLSA-N 1 3 399.539 0.383 20 0 GCADHO [NH3+]C[C@H](NC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000418786435 1192643574 /nfs/dbraw/zinc/64/35/74/1192643574.db2.gz RVLHMYZURDDILY-IBGZPJMESA-N 1 3 387.528 0.559 20 0 GCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418782782 1192644652 /nfs/dbraw/zinc/64/46/52/1192644652.db2.gz NPRHUEHNHLNPKO-KRWDZBQOSA-N 1 3 375.517 0.559 20 0 GCADHO CC(C)(CNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[NH+]1CCCCC1 ZINC000418830031 1192658628 /nfs/dbraw/zinc/65/86/28/1192658628.db2.gz HOLOHCIDCHHZFT-MRXNPFEDSA-N 1 3 391.520 0.281 20 0 GCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418862300 1192671022 /nfs/dbraw/zinc/67/10/22/1192671022.db2.gz AMOXVJXUVSYBRM-JKQORVJESA-N 1 3 380.533 0.985 20 0 GCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000418862300 1192671023 /nfs/dbraw/zinc/67/10/23/1192671023.db2.gz AMOXVJXUVSYBRM-JKQORVJESA-N 1 3 380.533 0.985 20 0 GCADHO CCN(CC)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000418871073 1192673303 /nfs/dbraw/zinc/67/33/03/1192673303.db2.gz ZJCVASPUQZRBOL-GOSISDBHSA-N 1 3 375.517 0.207 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000418955864 1192701886 /nfs/dbraw/zinc/70/18/86/1192701886.db2.gz RFEACGHNYAEXOK-SVGFKBNWSA-N 1 3 396.532 0.100 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000418960962 1192702705 /nfs/dbraw/zinc/70/27/05/1192702705.db2.gz JJFDJIMADNZEOC-RYQLBKOJSA-N 1 3 376.501 0.588 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000418996788 1192712119 /nfs/dbraw/zinc/71/21/19/1192712119.db2.gz KOAUFIUMCOQRRR-DOTOQJQBSA-N 1 3 376.501 0.854 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000418996788 1192712122 /nfs/dbraw/zinc/71/21/22/1192712122.db2.gz KOAUFIUMCOQRRR-DOTOQJQBSA-N 1 3 376.501 0.854 20 0 GCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419026518 1192727717 /nfs/dbraw/zinc/72/77/17/1192727717.db2.gz BNSIOVXEJOPOJP-INIZCTEOSA-N 1 3 398.573 0.349 20 0 GCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)CCO1 ZINC000419041108 1192739498 /nfs/dbraw/zinc/73/94/98/1192739498.db2.gz XVCAPFCEPAPLDP-HNNXBMFYSA-N 1 3 384.546 0.040 20 0 GCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419084446 1192779432 /nfs/dbraw/zinc/77/94/32/1192779432.db2.gz YNZMYEABDALBLB-IRXDYDNUSA-N 1 3 395.548 0.213 20 0 GCADHO CN(CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000419098725 1192785758 /nfs/dbraw/zinc/78/57/58/1192785758.db2.gz HGSKJJLCZGVBRI-RHSMWYFYSA-N 1 3 380.439 0.737 20 0 GCADHO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N1CCCNCC1 ZINC000419111724 1192799470 /nfs/dbraw/zinc/79/94/70/1192799470.db2.gz UJKQKVUYVRPBFZ-UHFFFAOYSA-N 1 3 388.512 0.642 20 0 GCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419131506 1192805860 /nfs/dbraw/zinc/80/58/60/1192805860.db2.gz AGXFFFHPFNOSOI-SJLPKXTDSA-N 1 3 376.501 0.508 20 0 GCADHO CC[C@H](COC)NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419154571 1192812032 /nfs/dbraw/zinc/81/20/32/1192812032.db2.gz YMNJJJCBNAIPKI-QGZVFWFLSA-N 1 3 376.501 0.637 20 0 GCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419161670 1192820479 /nfs/dbraw/zinc/82/04/79/1192820479.db2.gz FAUFSADPXUNKHF-RTBURBONSA-N 1 3 388.512 0.604 20 0 GCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419164364 1192821876 /nfs/dbraw/zinc/82/18/76/1192821876.db2.gz LSYDIEKNNPVGNO-QXAKKESOSA-N 1 3 388.512 0.589 20 0 GCADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419165303 1192822674 /nfs/dbraw/zinc/82/26/74/1192822674.db2.gz NILSWADMZLPTFD-PKOBYXMFSA-N 1 3 388.512 0.510 20 0 GCADHO COC[C@@H](C)CNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419155456 1192823769 /nfs/dbraw/zinc/82/37/69/1192823769.db2.gz TXCPTNGNJOLYEK-INIZCTEOSA-N 1 3 376.501 0.495 20 0 GCADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419156030 1192825051 /nfs/dbraw/zinc/82/50/51/1192825051.db2.gz BRGPQQCOOFVHKN-RBUKOAKNSA-N 1 3 390.528 0.835 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC[C@H]1[NH3+] ZINC000419168357 1192828994 /nfs/dbraw/zinc/82/89/94/1192828994.db2.gz RSQAKNYAORHXGB-NZSAHSFTSA-N 1 3 388.512 0.589 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(CS(N)(=O)=O)cc3)CC2)CC1 ZINC000500854737 1192831430 /nfs/dbraw/zinc/83/14/30/1192831430.db2.gz BJIQJCDWSCQGGT-UHFFFAOYSA-N 1 3 394.541 0.764 20 0 GCADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000419203125 1192840525 /nfs/dbraw/zinc/84/05/25/1192840525.db2.gz HKVXVVYIAFYACN-IBGZPJMESA-N 1 3 388.512 0.783 20 0 GCADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000419210988 1192898295 /nfs/dbraw/zinc/89/82/95/1192898295.db2.gz WIIBMHYBVMPHRJ-IBGZPJMESA-N 1 3 388.512 0.783 20 0 GCADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410844203 1192907924 /nfs/dbraw/zinc/90/79/24/1192907924.db2.gz SOOROWYUSDUODV-PKOBYXMFSA-N 1 3 385.512 0.919 20 0 GCADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512584408 1192911762 /nfs/dbraw/zinc/91/17/62/1192911762.db2.gz XYJAGVOFZNUGMU-KDURUIRLSA-N 1 3 383.581 0.939 20 0 GCADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512584408 1192911765 /nfs/dbraw/zinc/91/17/65/1192911765.db2.gz XYJAGVOFZNUGMU-KDURUIRLSA-N 1 3 383.581 0.939 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000579793938 1184191896 /nfs/dbraw/zinc/19/18/96/1184191896.db2.gz LZBOCCFYVCZIBA-UHFFFAOYSA-N 1 3 375.395 0.991 20 0 GCADHO CN(C[C@H]1CCCN1C)C(=O)c1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000616384900 1184196916 /nfs/dbraw/zinc/19/69/16/1184196916.db2.gz ZGQXORVIRTVNDD-HUUCEWRRSA-N 1 3 376.505 0.742 20 0 GCADHO CN(C[C@H]1CCCN1C)C(=O)c1cc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)[nH]n1 ZINC000616384900 1184196924 /nfs/dbraw/zinc/19/69/24/1184196924.db2.gz ZGQXORVIRTVNDD-HUUCEWRRSA-N 1 3 376.505 0.742 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CC(NS(C)(=O)=O)C3)CC2)CC1 ZINC000655059756 1184272728 /nfs/dbraw/zinc/27/27/28/1184272728.db2.gz LUUZTGZDEPZKFP-UHFFFAOYSA-N 1 3 386.562 0.379 20 0 GCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000440986851 1184457905 /nfs/dbraw/zinc/45/79/05/1184457905.db2.gz OGCQAJDUBSNTES-UHFFFAOYSA-N 1 3 396.580 0.254 20 0 GCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419171793 1184572468 /nfs/dbraw/zinc/57/24/68/1184572468.db2.gz YFYYHOPCOBYFFD-QRVBRYPASA-N 1 3 388.512 0.780 20 0 GCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1=O ZINC001648837572 1184838105 /nfs/dbraw/zinc/83/81/05/1184838105.db2.gz VMTZWQZDZHJORJ-IAGOWNOFSA-N 1 3 389.500 0.203 20 0 GCADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1=O ZINC001648837574 1184838499 /nfs/dbraw/zinc/83/84/99/1184838499.db2.gz VMTZWQZDZHJORJ-SJORKVTESA-N 1 3 389.500 0.203 20 0 GCADHO CN(C)CCN1C[C@H](C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1=O ZINC000121983584 1184912365 /nfs/dbraw/zinc/91/23/65/1184912365.db2.gz NQMNONDIYLYDQZ-NJAFHUGGSA-N 1 3 380.533 0.281 20 0 GCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000580196341 1185114558 /nfs/dbraw/zinc/11/45/58/1185114558.db2.gz GJCQYIJWKBKPOO-XYJFISCASA-N 1 3 376.501 0.636 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000580245843 1185127648 /nfs/dbraw/zinc/12/76/48/1185127648.db2.gz FYCZMEDTQOTAPA-KRWDZBQOSA-N 1 3 382.549 0.794 20 0 GCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CCO1 ZINC000642789477 1185228935 /nfs/dbraw/zinc/22/89/35/1185228935.db2.gz QCIHKTWBSOSRCN-SJORKVTESA-N 1 3 380.533 0.724 20 0 GCADHO CC(C)(CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCCCC1 ZINC000580476859 1185245556 /nfs/dbraw/zinc/24/55/56/1185245556.db2.gz MFAPTKQKHCGKAK-ROUUACIJSA-N 1 3 394.560 0.861 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C)c1C(F)(F)F ZINC000580692798 1185306767 /nfs/dbraw/zinc/30/67/67/1185306767.db2.gz MAYRCKJETZPVRV-UHFFFAOYSA-N 1 3 378.399 0.329 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000580737288 1185320108 /nfs/dbraw/zinc/32/01/08/1185320108.db2.gz PMCAXUQLCVLVFL-MOPGFXCFSA-N 1 3 394.560 0.813 20 0 GCADHO CCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000656315571 1185400003 /nfs/dbraw/zinc/40/00/03/1185400003.db2.gz LDVIDGSLBNGCRE-QGZVFWFLSA-N 1 3 393.576 0.604 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c(C)c(C)nn1C ZINC000276001357 1185420877 /nfs/dbraw/zinc/42/08/77/1185420877.db2.gz KZEGBXVAFZQDSY-MRXNPFEDSA-N 1 3 378.521 0.850 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1c(C)c(C)nn1C ZINC000276001357 1185420879 /nfs/dbraw/zinc/42/08/79/1185420879.db2.gz KZEGBXVAFZQDSY-MRXNPFEDSA-N 1 3 378.521 0.850 20 0 GCADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656330544 1185427663 /nfs/dbraw/zinc/42/76/63/1185427663.db2.gz PSQZORBZLYFYDF-UHOSZYNNSA-N 1 3 392.544 0.737 20 0 GCADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656330546 1185427721 /nfs/dbraw/zinc/42/77/21/1185427721.db2.gz PSQZORBZLYFYDF-WDSOQIARSA-N 1 3 392.544 0.737 20 0 GCADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656354123 1185448316 /nfs/dbraw/zinc/44/83/16/1185448316.db2.gz FCWPMHWQZFYUCU-KSZLIROESA-N 1 3 380.533 0.689 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000581000822 1185468946 /nfs/dbraw/zinc/46/89/46/1185468946.db2.gz SMLVMZLFTBRYQC-HXUWFJFHSA-N 1 3 388.560 0.608 20 0 GCADHO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000581063704 1185481135 /nfs/dbraw/zinc/48/11/35/1185481135.db2.gz NOSPJXDIOSKPAD-WMLDXEAASA-N 1 3 380.533 0.591 20 0 GCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581082390 1185489157 /nfs/dbraw/zinc/48/91/57/1185489157.db2.gz JHWFZKGPWTYVST-DSLXNQLJSA-N 1 3 385.512 0.850 20 0 GCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581082390 1185489162 /nfs/dbraw/zinc/48/91/62/1185489162.db2.gz JHWFZKGPWTYVST-DSLXNQLJSA-N 1 3 385.512 0.850 20 0 GCADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000581194229 1185527178 /nfs/dbraw/zinc/52/71/78/1185527178.db2.gz XODSZAJXMOMXQU-XLIONFOSSA-N 1 3 392.544 0.785 20 0 GCADHO CC(C)[C@](C)(CN)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000430576153 1185632841 /nfs/dbraw/zinc/63/28/41/1185632841.db2.gz VYMUDYCOJMVOMD-SFHVURJKSA-N 1 3 398.529 0.609 20 0 GCADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430582318 1185639205 /nfs/dbraw/zinc/63/92/05/1185639205.db2.gz PVFLLSKHUGPENO-HNNXBMFYSA-N 1 3 396.557 0.703 20 0 GCADHO C[NH2+]CCN(C)C(=O)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000419517460 1185709961 /nfs/dbraw/zinc/70/99/61/1185709961.db2.gz WZLBPCLPHXFSDC-UHFFFAOYSA-N 1 3 389.544 0.691 20 0 GCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000581747692 1185877832 /nfs/dbraw/zinc/87/78/32/1185877832.db2.gz VRZDNJWJXOOUCF-KSZLIROESA-N 1 3 380.533 0.689 20 0 GCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000581747692 1185877838 /nfs/dbraw/zinc/87/78/38/1185877838.db2.gz VRZDNJWJXOOUCF-KSZLIROESA-N 1 3 380.533 0.689 20 0 GCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000581747693 1185878700 /nfs/dbraw/zinc/87/87/00/1185878700.db2.gz VRZDNJWJXOOUCF-KURKYZTESA-N 1 3 380.533 0.689 20 0 GCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000581747693 1185878708 /nfs/dbraw/zinc/87/87/08/1185878708.db2.gz VRZDNJWJXOOUCF-KURKYZTESA-N 1 3 380.533 0.689 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891482574 1185886983 /nfs/dbraw/zinc/88/69/83/1185886983.db2.gz KBZJSVDUTDSXKH-MOPGFXCFSA-N 1 3 387.528 0.943 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891484807 1185888359 /nfs/dbraw/zinc/88/83/59/1185888359.db2.gz YDLXDBQEJHTVLN-DLBZAZTESA-N 1 3 395.548 0.387 20 0 GCADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000564649682 1185956060 /nfs/dbraw/zinc/95/60/60/1185956060.db2.gz MMWPZDPORQCWRK-DLBZAZTESA-N 1 3 381.546 0.641 20 0 GCADHO CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)N1CCN(C)CC1 ZINC000891751545 1186008814 /nfs/dbraw/zinc/00/88/14/1186008814.db2.gz ADEMADRMJQHNMD-QYZOEREBSA-N 1 3 381.565 0.499 20 0 GCADHO CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)N1CCN(C)CC1 ZINC000891751545 1186008820 /nfs/dbraw/zinc/00/88/20/1186008820.db2.gz ADEMADRMJQHNMD-QYZOEREBSA-N 1 3 381.565 0.499 20 0 GCADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430935640 1186058150 /nfs/dbraw/zinc/05/81/50/1186058150.db2.gz UUGABKHJTCEOQC-ZIAGYGMSSA-N 1 3 382.530 0.440 20 0 GCADHO C[C@@H](NC(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000431034240 1186110106 /nfs/dbraw/zinc/11/01/06/1186110106.db2.gz UTTORICCPYTHJN-HUUCEWRRSA-N 1 3 394.541 0.975 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458239239 1186218136 /nfs/dbraw/zinc/21/81/36/1186218136.db2.gz ZBBPPBOJPJJHCD-IRXDYDNUSA-N 1 3 383.537 0.075 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458239239 1186218146 /nfs/dbraw/zinc/21/81/46/1186218146.db2.gz ZBBPPBOJPJJHCD-IRXDYDNUSA-N 1 3 383.537 0.075 20 0 GCADHO Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001707906811 1186237677 /nfs/dbraw/zinc/23/76/77/1186237677.db2.gz KMNOTXWMNWNTBM-UHFFFAOYSA-N 1 3 387.532 0.593 20 0 GCADHO Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001707906811 1186237683 /nfs/dbraw/zinc/23/76/83/1186237683.db2.gz KMNOTXWMNWNTBM-UHFFFAOYSA-N 1 3 387.532 0.593 20 0 GCADHO Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001707907001 1186243069 /nfs/dbraw/zinc/24/30/69/1186243069.db2.gz QNNVMFHSMMECHO-SFHVURJKSA-N 1 3 387.532 0.591 20 0 GCADHO Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001707907001 1186243072 /nfs/dbraw/zinc/24/30/72/1186243072.db2.gz QNNVMFHSMMECHO-SFHVURJKSA-N 1 3 387.532 0.591 20 0 GCADHO Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001707907335 1186244789 /nfs/dbraw/zinc/24/47/89/1186244789.db2.gz VZZYSYNUGUMABH-MRXNPFEDSA-N 1 3 389.548 0.814 20 0 GCADHO Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001707907335 1186244797 /nfs/dbraw/zinc/24/47/97/1186244797.db2.gz VZZYSYNUGUMABH-MRXNPFEDSA-N 1 3 389.548 0.814 20 0 GCADHO CN1CCN(CC[NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1(C)C ZINC000582176592 1186452897 /nfs/dbraw/zinc/45/28/97/1186452897.db2.gz BKRGNQGRMJFZIZ-QGZVFWFLSA-N 1 3 389.500 0.480 20 0 GCADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCC1 ZINC000582252539 1186478358 /nfs/dbraw/zinc/47/83/58/1186478358.db2.gz KFBVXPMNEPSPKQ-ZWKOTPCHSA-N 1 3 385.512 0.995 20 0 GCADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCC1 ZINC000582252539 1186478360 /nfs/dbraw/zinc/47/83/60/1186478360.db2.gz KFBVXPMNEPSPKQ-ZWKOTPCHSA-N 1 3 385.512 0.995 20 0 GCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000892263369 1186539196 /nfs/dbraw/zinc/53/91/96/1186539196.db2.gz NKWNZIGPUOOERT-IBGZPJMESA-N 1 3 387.528 0.991 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000582550724 1186563608 /nfs/dbraw/zinc/56/36/08/1186563608.db2.gz WSCDIAKGEBLUJV-UHFFFAOYSA-N 1 3 381.565 0.461 20 0 GCADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)([NH+](C)C)C1 ZINC000668630004 1186587963 /nfs/dbraw/zinc/58/79/63/1186587963.db2.gz FWCFCYRHNWEJNV-HGHGUNKESA-N 1 3 394.560 0.983 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000582619965 1186588051 /nfs/dbraw/zinc/58/80/51/1186588051.db2.gz MDGOPSVECKZIIK-NUJGCVRESA-N 1 3 379.549 0.116 20 0 GCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)N1CCN(C)CC1 ZINC000582619965 1186588054 /nfs/dbraw/zinc/58/80/54/1186588054.db2.gz MDGOPSVECKZIIK-NUJGCVRESA-N 1 3 379.549 0.116 20 0 GCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431468238 1186597786 /nfs/dbraw/zinc/59/77/86/1186597786.db2.gz CJPFUTWANDFYBE-GOSISDBHSA-N 1 3 396.580 0.304 20 0 GCADHO Cc1ccccc1N1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000582771421 1186666150 /nfs/dbraw/zinc/66/61/50/1186666150.db2.gz SRJVMRJDLYDXOW-UHFFFAOYSA-N 1 3 389.544 0.595 20 0 GCADHO CN(CCC[NH3+])C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000583036332 1186754156 /nfs/dbraw/zinc/75/41/56/1186754156.db2.gz LFPIQSDCWYARKU-UHFFFAOYSA-N 1 3 375.517 0.118 20 0 GCADHO CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@@H]3CN(C)CCN3C)CC2)CC1 ZINC000583161348 1186785524 /nfs/dbraw/zinc/78/55/24/1186785524.db2.gz TVFLSJQVWCTBBS-DAWZGUTISA-N 1 3 379.549 0.071 20 0 GCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)C2)CC1 ZINC000583281575 1186816627 /nfs/dbraw/zinc/81/66/27/1186816627.db2.gz OXIHOIOXZLFGCK-QGZVFWFLSA-N 1 3 379.549 0.214 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000583285810 1186817785 /nfs/dbraw/zinc/81/77/85/1186817785.db2.gz QBVYSNMPCNCYHH-IPMKNSEASA-N 1 3 392.544 0.567 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N[C@@H]1CCCN(CCCO)C1 ZINC000458541247 1186862146 /nfs/dbraw/zinc/86/21/46/1186862146.db2.gz AEPWPQBUWUJGFI-GUDVDZBRSA-N 1 3 382.549 0.900 20 0 GCADHO CO[C@H](C[NH3+])CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000278328249 1186890402 /nfs/dbraw/zinc/89/04/02/1186890402.db2.gz VYKAXUOLQONXHH-MSOLQXFVSA-N 1 3 375.517 0.806 20 0 GCADHO NC1(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000648178385 1186925452 /nfs/dbraw/zinc/92/54/52/1186925452.db2.gz YHGZHUVOBIQNPY-ROUUACIJSA-N 1 3 383.496 0.229 20 0 GCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)C[C@H](C)O1 ZINC000584107294 1187000340 /nfs/dbraw/zinc/00/03/40/1187000340.db2.gz GSKJEFXXPNMWHW-DKKFBQAASA-N 1 3 392.544 0.545 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccnc(COC)n1 ZINC000657835023 1187014865 /nfs/dbraw/zinc/01/48/65/1187014865.db2.gz NSTQKDKMHFHWTE-OAHLLOKOSA-N 1 3 392.504 0.436 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccnc(COC)n1 ZINC000657835023 1187014867 /nfs/dbraw/zinc/01/48/67/1187014867.db2.gz NSTQKDKMHFHWTE-OAHLLOKOSA-N 1 3 392.504 0.436 20 0 GCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000584424701 1187057972 /nfs/dbraw/zinc/05/79/72/1187057972.db2.gz OKDZOLIHSZPYRT-GOSISDBHSA-N 1 3 395.592 0.613 20 0 GCADHO C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N1CCC[C@@H](C)C1 ZINC000375748617 1187058837 /nfs/dbraw/zinc/05/88/37/1187058837.db2.gz IPLWKQYLPCLQHN-HZPDHXFCSA-N 1 3 390.532 1.325 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccccc3CN(C)C)C2)CC[N@@H+]1C ZINC001024134462 1187262639 /nfs/dbraw/zinc/26/26/39/1187262639.db2.gz BLCLGBXCZABXGO-YCEFEEMOSA-N 1 3 388.512 0.390 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccccc3CN(C)C)C2)CC[N@H+]1C ZINC001024134462 1187262642 /nfs/dbraw/zinc/26/26/42/1187262642.db2.gz BLCLGBXCZABXGO-YCEFEEMOSA-N 1 3 388.512 0.390 20 0 GCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000612486219 1187505319 /nfs/dbraw/zinc/50/53/19/1187505319.db2.gz QMBIORQYRXETJQ-MSOLQXFVSA-N 1 3 382.549 0.792 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000612484979 1187505468 /nfs/dbraw/zinc/50/54/68/1187505468.db2.gz JULIZUAPLNIAAF-RBUKOAKNSA-N 1 3 393.576 0.461 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000612484979 1187505471 /nfs/dbraw/zinc/50/54/71/1187505471.db2.gz JULIZUAPLNIAAF-RBUKOAKNSA-N 1 3 393.576 0.461 20 0 GCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612595262 1187535729 /nfs/dbraw/zinc/53/57/29/1187535729.db2.gz FRBMXDXDXPOAIF-QZTJIDSGSA-N 1 3 380.533 0.689 20 0 GCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612595262 1187535734 /nfs/dbraw/zinc/53/57/34/1187535734.db2.gz FRBMXDXDXPOAIF-QZTJIDSGSA-N 1 3 380.533 0.689 20 0 GCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612597008 1187536381 /nfs/dbraw/zinc/53/63/81/1187536381.db2.gz ZLBVBFJXWLTSQU-WMZOPIPTSA-N 1 3 380.533 0.450 20 0 GCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612597008 1187536384 /nfs/dbraw/zinc/53/63/84/1187536384.db2.gz ZLBVBFJXWLTSQU-WMZOPIPTSA-N 1 3 380.533 0.450 20 0 GCADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612597722 1187537126 /nfs/dbraw/zinc/53/71/26/1187537126.db2.gz LGHSIWKPZGHECQ-GOSISDBHSA-N 1 3 382.549 0.936 20 0 GCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612590941 1187537389 /nfs/dbraw/zinc/53/73/89/1187537389.db2.gz GYAUWJFLXSVWRI-LJQANCHMSA-N 1 3 392.544 0.594 20 0 GCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000612599364 1187538539 /nfs/dbraw/zinc/53/85/39/1187538539.db2.gz UISQZKCHLFGPCH-OALUTQOASA-N 1 3 392.544 0.833 20 0 GCADHO C[NH+](C)CCCC1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000612598105 1187538744 /nfs/dbraw/zinc/53/87/44/1187538744.db2.gz RAYRBATZTFBWRK-LJQANCHMSA-N 1 3 394.560 0.936 20 0 GCADHO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)O1 ZINC000570329142 1187574754 /nfs/dbraw/zinc/57/47/54/1187574754.db2.gz JQGUWJUYGNDINF-QRVBRYPASA-N 1 3 387.528 0.949 20 0 GCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000247023753 1187623590 /nfs/dbraw/zinc/62/35/90/1187623590.db2.gz QLAIGGZQIFHEGJ-QZTJIDSGSA-N 1 3 379.549 0.912 20 0 GCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000247023753 1187623596 /nfs/dbraw/zinc/62/35/96/1187623596.db2.gz QLAIGGZQIFHEGJ-QZTJIDSGSA-N 1 3 379.549 0.912 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892651395 1187880198 /nfs/dbraw/zinc/88/01/98/1187880198.db2.gz YCHHLRCTUDKONL-SQNIBIBYSA-N 1 3 395.548 0.170 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892651395 1187880205 /nfs/dbraw/zinc/88/02/05/1187880205.db2.gz YCHHLRCTUDKONL-SQNIBIBYSA-N 1 3 395.548 0.170 20 0 GCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000647595388 1187905367 /nfs/dbraw/zinc/90/53/67/1187905367.db2.gz CXPMJRLBKUDVHZ-HUUCEWRRSA-N 1 3 376.501 0.502 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc2)CC1 ZINC000647594895 1187906389 /nfs/dbraw/zinc/90/63/89/1187906389.db2.gz XVCOREHWJAVTTJ-DLBZAZTESA-N 1 3 389.544 0.682 20 0 GCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659608310 1187975942 /nfs/dbraw/zinc/97/59/42/1187975942.db2.gz MPPWWEPLDLHOBR-IAGOWNOFSA-N 1 3 381.521 0.269 20 0 GCADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659680131 1187993264 /nfs/dbraw/zinc/99/32/64/1187993264.db2.gz AGXIEIYEYYZTPU-UHFFFAOYSA-N 1 3 386.456 0.025 20 0 GCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659680131 1187993266 /nfs/dbraw/zinc/99/32/66/1187993266.db2.gz AGXIEIYEYYZTPU-UHFFFAOYSA-N 1 3 386.456 0.025 20 0 GCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000659688206 1187998240 /nfs/dbraw/zinc/99/82/40/1187998240.db2.gz UYCSQMLOWJOMBW-QGZVFWFLSA-N 1 3 376.501 0.589 20 0 GCADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659699496 1188002916 /nfs/dbraw/zinc/00/29/16/1188002916.db2.gz UGCHSSIPFHXWNE-KBPBESRZSA-N 1 3 392.504 0.131 20 0 GCADHO O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659719323 1188007217 /nfs/dbraw/zinc/00/72/17/1188007217.db2.gz HBXZPIYRTAGYCH-SFHVURJKSA-N 1 3 380.533 0.785 20 0 GCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659727468 1188010608 /nfs/dbraw/zinc/01/06/08/1188010608.db2.gz GBVGWMCJZNDAGH-IBGZPJMESA-N 1 3 387.528 0.868 20 0 GCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC3CCN(Cc4ccncc4)CC3)C[C@H]21 ZINC000659726934 1188014202 /nfs/dbraw/zinc/01/42/02/1188014202.db2.gz DDIUGAKOWSBUJV-VAMGGRTRSA-N 1 3 399.539 0.996 20 0 GCADHO C[C@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000659729929 1188015513 /nfs/dbraw/zinc/01/55/13/1188015513.db2.gz QNSXWDNZNXMBEL-QFBILLFUSA-N 1 3 387.528 0.853 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000415328620 1188039547 /nfs/dbraw/zinc/03/95/47/1188039547.db2.gz JKBHIHCSDYXEDN-GOSISDBHSA-N 1 3 387.528 0.878 20 0 GCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000415369952 1188063313 /nfs/dbraw/zinc/06/33/13/1188063313.db2.gz NCAQXNRTMGIJAD-INIZCTEOSA-N 1 3 389.500 0.309 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000415390629 1188069259 /nfs/dbraw/zinc/06/92/59/1188069259.db2.gz HSNOJJOPTSMDCF-KRWDZBQOSA-N 1 3 387.528 0.878 20 0 GCADHO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893011707 1188099572 /nfs/dbraw/zinc/09/95/72/1188099572.db2.gz MDNYKOLEISAPDG-OTWHNJEPSA-N 1 3 380.533 0.870 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCC[NH2+]CCOC)c2)CC1 ZINC000415539043 1188101247 /nfs/dbraw/zinc/10/12/47/1188101247.db2.gz LDAXKIUHHJFSIE-UHFFFAOYSA-N 1 3 377.489 0.119 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000415586986 1188114607 /nfs/dbraw/zinc/11/46/07/1188114607.db2.gz DJQTUOITUIXCLE-QFIPXVFZSA-N 1 3 399.539 0.975 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415751287 1188155516 /nfs/dbraw/zinc/15/55/16/1188155516.db2.gz VXIICMCCAQBOPC-SJORKVTESA-N 1 3 385.512 0.835 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000415747379 1188156912 /nfs/dbraw/zinc/15/69/12/1188156912.db2.gz OPOKAYKTSYGXDB-MOPGFXCFSA-N 1 3 399.539 0.831 20 0 GCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000472915279 1189384118 /nfs/dbraw/zinc/38/41/18/1189384118.db2.gz RKLUVWSTIMBZMB-MSOLQXFVSA-N 1 3 381.565 0.813 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)c2)CC1 ZINC000415873415 1189391408 /nfs/dbraw/zinc/39/14/08/1189391408.db2.gz UULPVWACVOMJOZ-IAGOWNOFSA-N 1 3 385.512 0.835 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000415898934 1189400972 /nfs/dbraw/zinc/40/09/72/1189400972.db2.gz UEWKALJKKAXZPS-RBUKOAKNSA-N 1 3 399.539 0.831 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415968191 1189410795 /nfs/dbraw/zinc/41/07/95/1189410795.db2.gz XMHSVWXAUDOZDP-MAUKXSAKSA-N 1 3 388.516 0.962 20 0 GCADHO COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1-n1ccc(CC[NH3+])n1 ZINC001167727751 1189419561 /nfs/dbraw/zinc/41/95/61/1189419561.db2.gz BWFNJAJFSLNPIY-CQSZACIVSA-N 1 3 375.473 0.874 20 0 GCADHO CN1Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)cc2C1 ZINC000363911483 1189569505 /nfs/dbraw/zinc/56/95/05/1189569505.db2.gz RUJLADFUAJNNJY-GOSISDBHSA-N 1 3 385.512 0.855 20 0 GCADHO CN1Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)cc2C1 ZINC000363911483 1189569510 /nfs/dbraw/zinc/56/95/10/1189569510.db2.gz RUJLADFUAJNNJY-GOSISDBHSA-N 1 3 385.512 0.855 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000417016178 1189607676 /nfs/dbraw/zinc/60/76/76/1189607676.db2.gz HYYKJPFFACNUJF-LJQANCHMSA-N 1 3 375.517 0.482 20 0 GCADHO CN1CCN(CCCNC(=O)N2CCO[C@@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000417015987 1189608169 /nfs/dbraw/zinc/60/81/69/1189608169.db2.gz HUFRISQLJBBFQV-RBUKOAKNSA-N 1 3 375.517 0.734 20 0 GCADHO [NH3+]C[C@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000417028684 1189609989 /nfs/dbraw/zinc/60/99/89/1189609989.db2.gz UWZJYQNSSHSWIO-IBGZPJMESA-N 1 3 375.517 0.563 20 0 GCADHO [NH3+]C[C@H]1CN(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000417158756 1189625993 /nfs/dbraw/zinc/62/59/93/1189625993.db2.gz OFQKCRZHKGWDGH-FQEVSTJZSA-N 1 3 389.544 0.954 20 0 GCADHO COCC1(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000417419357 1189660305 /nfs/dbraw/zinc/66/03/05/1189660305.db2.gz CUODTLJSWKABAM-INIZCTEOSA-N 1 3 383.537 0.245 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417435348 1189661711 /nfs/dbraw/zinc/66/17/11/1189661711.db2.gz YGDSPIUZKNUFKU-KURKYZTESA-N 1 3 379.549 0.960 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417429266 1189662756 /nfs/dbraw/zinc/66/27/56/1189662756.db2.gz MSRUIIVKBYJUPB-MSOLQXFVSA-N 1 3 379.549 0.960 20 0 GCADHO C[C@@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CN1CCN(C)CC1 ZINC000417758048 1189702715 /nfs/dbraw/zinc/70/27/15/1189702715.db2.gz UOMUNHWRECFZSL-LSDHHAIUSA-N 1 3 394.486 0.005 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3nc(C(N)=O)cs3)CC2)CC1 ZINC000660574972 1189909147 /nfs/dbraw/zinc/90/91/47/1189909147.db2.gz RHNYVLPLZVPNLZ-UHFFFAOYSA-N 1 3 380.518 0.600 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660852695 1189957592 /nfs/dbraw/zinc/95/75/92/1189957592.db2.gz FVALSLIGIHJREH-MSOLQXFVSA-N 1 3 395.548 0.482 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662714773 1190002603 /nfs/dbraw/zinc/00/26/03/1190002603.db2.gz BEFPQCJQZUZMAV-INIZCTEOSA-N 1 3 391.520 0.219 20 0 GCADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1=O ZINC000662865736 1190060810 /nfs/dbraw/zinc/06/08/10/1190060810.db2.gz DLXKDQCPWBORQE-HDMKZQKVSA-N 1 3 394.466 0.937 20 0 GCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000411016362 1193720786 /nfs/dbraw/zinc/72/07/86/1193720786.db2.gz ANUIEZGIYLYSQF-ROUUACIJSA-N 1 3 382.549 0.887 20 0 GCADHO C[C@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000512670990 1193731015 /nfs/dbraw/zinc/73/10/15/1193731015.db2.gz CLIFVFFKPCUUEX-RTBURBONSA-N 1 3 383.581 0.796 20 0 GCADHO C[C@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000512670990 1193731016 /nfs/dbraw/zinc/73/10/16/1193731016.db2.gz CLIFVFFKPCUUEX-RTBURBONSA-N 1 3 383.581 0.796 20 0 GCADHO C[C@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000512670989 1193731033 /nfs/dbraw/zinc/73/10/33/1193731033.db2.gz CLIFVFFKPCUUEX-RBUKOAKNSA-N 1 3 383.581 0.796 20 0 GCADHO C[C@H](CNC(=O)NCCCCN1CCN(CCO)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000512670989 1193731035 /nfs/dbraw/zinc/73/10/35/1193731035.db2.gz CLIFVFFKPCUUEX-RBUKOAKNSA-N 1 3 383.581 0.796 20 0 GCADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512676258 1193731861 /nfs/dbraw/zinc/73/18/61/1193731861.db2.gz BLPICGWGVFJQKI-OALUTQOASA-N 1 3 383.581 0.796 20 0 GCADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512676258 1193731864 /nfs/dbraw/zinc/73/18/64/1193731864.db2.gz BLPICGWGVFJQKI-OALUTQOASA-N 1 3 383.581 0.796 20 0 GCADHO C[C@H]1C[N@H+](CCCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000433324809 1193807359 /nfs/dbraw/zinc/80/73/59/1193807359.db2.gz CPRJCXMATSXKQZ-ROUUACIJSA-N 1 3 397.564 0.729 20 0 GCADHO C[C@H]1C[N@@H+](CCCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000433324809 1193807368 /nfs/dbraw/zinc/80/73/68/1193807368.db2.gz CPRJCXMATSXKQZ-ROUUACIJSA-N 1 3 397.564 0.729 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H](C)C[NH2+]C)cc2)CC1 ZINC000419331283 1193824371 /nfs/dbraw/zinc/82/43/71/1193824371.db2.gz GVLLKSVWIKIMMO-QGZVFWFLSA-N 1 3 389.544 0.412 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000419336420 1193830284 /nfs/dbraw/zinc/83/02/84/1193830284.db2.gz KHXYJCJUFRVSTA-LJQANCHMSA-N 1 3 387.528 0.294 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000419344014 1193836385 /nfs/dbraw/zinc/83/63/85/1193836385.db2.gz RLZJSUBEGXDYEP-UHFFFAOYSA-N 1 3 375.517 0.294 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000419346086 1193841800 /nfs/dbraw/zinc/84/18/00/1193841800.db2.gz UVCJULOLCFIYCS-LJQANCHMSA-N 1 3 387.528 0.248 20 0 GCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000419350834 1193846633 /nfs/dbraw/zinc/84/66/33/1193846633.db2.gz ZUIJULSYLFAOBH-QGZVFWFLSA-N 1 3 389.544 0.555 20 0 GCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000571455321 1193876984 /nfs/dbraw/zinc/87/69/84/1193876984.db2.gz PYDYLBJRZQDHDB-ROUUACIJSA-N 1 3 382.549 0.794 20 0 GCADHO [NH3+]CCCCn1cc(C(=O)NCc2ccccc2CN2CCC(O)CC2)nn1 ZINC000576461922 1193887429 /nfs/dbraw/zinc/88/74/29/1193887429.db2.gz OCXCREYPKUNHDM-UHFFFAOYSA-N 1 3 386.500 0.904 20 0 GCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000262949278 1193958843 /nfs/dbraw/zinc/95/88/43/1193958843.db2.gz BKXGCIRSHTUWTH-IBGZPJMESA-N 1 3 375.517 0.646 20 0 GCADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000419420250 1194023450 /nfs/dbraw/zinc/02/34/50/1194023450.db2.gz MTHUYODWNYRDFJ-IBGZPJMESA-N 1 3 387.528 0.118 20 0 GCADHO [NH3+][C@@H](CNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000419421709 1194023460 /nfs/dbraw/zinc/02/34/60/1194023460.db2.gz PJHFHZKUMNLVPR-IBGZPJMESA-N 1 3 387.528 0.164 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419420919 1194024102 /nfs/dbraw/zinc/02/41/02/1194024102.db2.gz NYRBVUNNVJNKIJ-MOPGFXCFSA-N 1 3 387.528 0.350 20 0 GCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419424738 1194025471 /nfs/dbraw/zinc/02/54/71/1194025471.db2.gz ULIYLQRPFATYMW-SJLPKXTDSA-N 1 3 375.517 0.335 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000419411214 1194029444 /nfs/dbraw/zinc/02/94/44/1194029444.db2.gz BFISTCOIYCJCAP-GUDVDZBRSA-N 1 3 388.512 0.904 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419410911 1194029778 /nfs/dbraw/zinc/02/97/78/1194029778.db2.gz AVOGBQYZECEJAG-MJGOQNOKSA-N 1 3 387.528 0.289 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000419411218 1194029853 /nfs/dbraw/zinc/02/98/53/1194029853.db2.gz BFISTCOIYCJCAP-OTWHNJEPSA-N 1 3 388.512 0.904 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)N2CCC([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000419415282 1194031419 /nfs/dbraw/zinc/03/14/19/1194031419.db2.gz HQCUEXAOKKAUKD-IBGZPJMESA-N 1 3 387.528 0.431 20 0 GCADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419453225 1194037571 /nfs/dbraw/zinc/03/75/71/1194037571.db2.gz REOXNOVILRBNOL-DOTOQJQBSA-N 1 3 380.464 0.163 20 0 GCADHO C[C@@H]1C[C@@H](CCNC(=O)C(=O)NC[C@@H]2CNCCO2)C[N@@H+]1Cc1ccccc1 ZINC000419468076 1194043443 /nfs/dbraw/zinc/04/34/43/1194043443.db2.gz AQFYSPXTAKRAER-QRQLOZEOSA-N 1 3 388.512 0.508 20 0 GCADHO C[C@@H]1C[C@@H](CCNC(=O)C(=O)NC[C@@H]2CNCCO2)C[N@H+]1Cc1ccccc1 ZINC000419468076 1194043447 /nfs/dbraw/zinc/04/34/47/1194043447.db2.gz AQFYSPXTAKRAER-QRQLOZEOSA-N 1 3 388.512 0.508 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CCSC1 ZINC000419577731 1194059851 /nfs/dbraw/zinc/05/98/51/1194059851.db2.gz DWGLSLQSTUFILU-BXWFABGCSA-N 1 3 398.573 0.285 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCSC1 ZINC000419592823 1194067264 /nfs/dbraw/zinc/06/72/64/1194067264.db2.gz XIPJOEQOTSLICE-FCEWJHQRSA-N 1 3 382.574 0.921 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419594719 1194067757 /nfs/dbraw/zinc/06/77/57/1194067757.db2.gz UYPWPQDQIQHJJZ-KZNAEPCWSA-N 1 3 380.533 0.722 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419596025 1194068123 /nfs/dbraw/zinc/06/81/23/1194068123.db2.gz XKMWBJGADKRYNQ-KZNAEPCWSA-N 1 3 380.533 0.722 20 0 GCADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)C(C)C ZINC000419663870 1194077514 /nfs/dbraw/zinc/07/75/14/1194077514.db2.gz KYECBSFZHXLKSI-KRWDZBQOSA-N 1 3 393.536 0.525 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000419708198 1194083564 /nfs/dbraw/zinc/08/35/64/1194083564.db2.gz GYKWOPSPSSYJEX-PBHICJAKSA-N 1 3 376.501 0.636 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000419725639 1194088254 /nfs/dbraw/zinc/08/82/54/1194088254.db2.gz SQQJGPYXHXUDKB-YJBOKZPZSA-N 1 3 388.512 0.996 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419769211 1194102129 /nfs/dbraw/zinc/10/21/29/1194102129.db2.gz DKRUXIHZMBPPGG-CVEARBPZSA-N 1 3 395.548 0.069 20 0 GCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000419802818 1194106887 /nfs/dbraw/zinc/10/68/87/1194106887.db2.gz AWRLUSPUKYYZMG-GOSISDBHSA-N 1 3 395.592 0.805 20 0 GCADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419850874 1194114864 /nfs/dbraw/zinc/11/48/64/1194114864.db2.gz HVUOZZNEJNMGLX-IBGZPJMESA-N 1 3 387.528 0.351 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C[C@@H](C)O1 ZINC000419839821 1194118246 /nfs/dbraw/zinc/11/82/46/1194118246.db2.gz BYOOIYOZAWINIR-IAGOWNOFSA-N 1 3 394.560 0.983 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000419854176 1194121563 /nfs/dbraw/zinc/12/15/63/1194121563.db2.gz BIGMBBFHHSGRFD-RVKKMQEKSA-N 1 3 380.533 0.578 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419856547 1194122931 /nfs/dbraw/zinc/12/29/31/1194122931.db2.gz JBZKNKHIAKEUOA-JFIYKMOQSA-N 1 3 380.533 0.450 20 0 GCADHO C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000419864438 1194126354 /nfs/dbraw/zinc/12/63/54/1194126354.db2.gz IWHUYHRFRFFJPM-QGZVFWFLSA-N 1 3 375.517 0.035 20 0 GCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419869726 1194127344 /nfs/dbraw/zinc/12/73/44/1194127344.db2.gz JQOHXHJCEJYMKQ-BHIYHBOVSA-N 1 3 388.512 0.857 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419874516 1194129542 /nfs/dbraw/zinc/12/95/42/1194129542.db2.gz ZUEUGJOLNSCQLH-ZHALLVOQSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419874509 1194129747 /nfs/dbraw/zinc/12/97/47/1194129747.db2.gz ZUEUGJOLNSCQLH-LMMKCTJWSA-N 1 3 394.560 0.840 20 0 GCADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419878702 1194130636 /nfs/dbraw/zinc/13/06/36/1194130636.db2.gz YFSUKXREIOBIIH-UHFFFAOYSA-N 1 3 395.592 0.757 20 0 GCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419877416 1194130815 /nfs/dbraw/zinc/13/08/15/1194130815.db2.gz XCZCOIZMYLTPJP-UHFFFAOYSA-N 1 3 381.565 0.368 20 0 GCADHO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419916393 1194138182 /nfs/dbraw/zinc/13/81/82/1194138182.db2.gz QSBWTIKJHHQCTJ-SFHVURJKSA-N 1 3 376.501 0.762 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419906660 1194140960 /nfs/dbraw/zinc/14/09/60/1194140960.db2.gz AOLVMWRAUWWLEI-ZHALLVOQSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419906659 1194141177 /nfs/dbraw/zinc/14/11/77/1194141177.db2.gz AOLVMWRAUWWLEI-SCTDSRPQSA-N 1 3 394.560 0.840 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419980588 1194151883 /nfs/dbraw/zinc/15/18/83/1194151883.db2.gz RANAVTOFHPABOK-MSOLQXFVSA-N 1 3 375.517 0.994 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419995104 1194154536 /nfs/dbraw/zinc/15/45/36/1194154536.db2.gz HSAOJBCPZJIZCJ-ZIFCJYIRSA-N 1 3 394.560 0.983 20 0 GCADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)o1 ZINC000420023597 1194158365 /nfs/dbraw/zinc/15/83/65/1194158365.db2.gz AUHIKPPSAQHILP-ZBFHGGJFSA-N 1 3 380.489 0.707 20 0 GCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420027707 1194159858 /nfs/dbraw/zinc/15/98/58/1194159858.db2.gz DHSITTOJVJXOMP-RDJZCZTQSA-N 1 3 398.548 0.565 20 0 GCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420038947 1194166011 /nfs/dbraw/zinc/16/60/11/1194166011.db2.gz NKMVJZDCNYDGJV-XHSDSOJGSA-N 1 3 384.521 0.175 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420049109 1194169440 /nfs/dbraw/zinc/16/94/40/1194169440.db2.gz YCZHXAWXZZDNQO-RDJZCZTQSA-N 1 3 396.532 0.319 20 0 GCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420078725 1194173801 /nfs/dbraw/zinc/17/38/01/1194173801.db2.gz FSXBLNSTJWVXPB-HZPDHXFCSA-N 1 3 382.549 0.968 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1)Cc1ccccc1 ZINC000420088594 1194175493 /nfs/dbraw/zinc/17/54/93/1194175493.db2.gz IFRVJZCVPNJJRX-UHFFFAOYSA-N 1 3 387.528 0.260 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000420110247 1194180863 /nfs/dbraw/zinc/18/08/63/1194180863.db2.gz FEGAAMJMSXSXOC-YWTNHNAXSA-N 1 3 394.560 0.839 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)C[C@H](C)O1 ZINC000420137173 1194184627 /nfs/dbraw/zinc/18/46/27/1194184627.db2.gz WRYUQSOAMZARQH-VXIBKDFQSA-N 1 3 394.560 0.839 20 0 GCADHO CN(CCN1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000420142625 1194192833 /nfs/dbraw/zinc/19/28/33/1194192833.db2.gz VANZZRPSKDSRAF-UHFFFAOYSA-N 1 3 399.539 0.299 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420181998 1194197268 /nfs/dbraw/zinc/19/72/68/1194197268.db2.gz DWCLOLVFSUTUTG-QGZVFWFLSA-N 1 3 380.464 0.211 20 0 GCADHO C[C@H]1[C@H](CO)CCN1C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420205084 1194204629 /nfs/dbraw/zinc/20/46/29/1194204629.db2.gz NHDVWRYCPGVMHF-WMZOPIPTSA-N 1 3 388.512 0.325 20 0 GCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000420203902 1194204811 /nfs/dbraw/zinc/20/48/11/1194204811.db2.gz LLWYFULBJBURKR-YESZJQIVSA-N 1 3 376.501 0.983 20 0 GCADHO CN(CC(C)(C)O)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420207385 1194205310 /nfs/dbraw/zinc/20/53/10/1194205310.db2.gz QOPMVNVKCRFCPJ-UHFFFAOYSA-N 1 3 376.501 0.325 20 0 GCADHO COC[C@@H](C)N(C)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420206360 1194205591 /nfs/dbraw/zinc/20/55/91/1194205591.db2.gz OUTNIIACUZRJHK-MRXNPFEDSA-N 1 3 376.501 0.589 20 0 GCADHO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000420189285 1194206674 /nfs/dbraw/zinc/20/66/74/1194206674.db2.gz DHKRYTUEMDREQO-LJQANCHMSA-N 1 3 388.512 0.258 20 0 GCADHO C[C@H]1OCCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000420209532 1194211793 /nfs/dbraw/zinc/21/17/93/1194211793.db2.gz SZVOJMGSWCJDEL-DLBZAZTESA-N 1 3 388.512 0.732 20 0 GCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000421407667 1194336751 /nfs/dbraw/zinc/33/67/51/1194336751.db2.gz MGPNRKZAZDYNDS-QGZVFWFLSA-N 1 3 376.501 0.796 20 0 GCADHO CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N(C)CCN(C)C3CC3)CC2)CC1 ZINC000422103926 1194386623 /nfs/dbraw/zinc/38/66/23/1194386623.db2.gz HVKREYMHNVTTQX-UHFFFAOYSA-N 1 3 393.576 0.558 20 0 GCADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)C[C@H](C)O1 ZINC000422111729 1194392839 /nfs/dbraw/zinc/39/28/39/1194392839.db2.gz DKNAXDIXBZBHBW-ZIFCJYIRSA-N 1 3 394.560 0.887 20 0 GCADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)C[C@H](C)O1 ZINC000422111729 1194392844 /nfs/dbraw/zinc/39/28/44/1194392844.db2.gz DKNAXDIXBZBHBW-ZIFCJYIRSA-N 1 3 394.560 0.887 20 0 GCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422136091 1194397518 /nfs/dbraw/zinc/39/75/18/1194397518.db2.gz KQHWUNXSEJYWTF-OTWHNJEPSA-N 1 3 393.576 0.556 20 0 GCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422136091 1194397521 /nfs/dbraw/zinc/39/75/21/1194397521.db2.gz KQHWUNXSEJYWTF-OTWHNJEPSA-N 1 3 393.576 0.556 20 0 GCADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000503183727 1194403611 /nfs/dbraw/zinc/40/36/11/1194403611.db2.gz UXVRUPNYNJJXRD-HOTGVXAUSA-N 1 3 390.532 0.924 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000272642665 1194481681 /nfs/dbraw/zinc/48/16/81/1194481681.db2.gz YYKLFOCYUHSFBL-UHFFFAOYSA-N 1 3 392.548 0.801 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000272713817 1194490224 /nfs/dbraw/zinc/49/02/24/1194490224.db2.gz VZVCFYCCWOGOSR-UHFFFAOYSA-N 1 3 391.516 0.648 20 0 GCADHO CC[NH+]1CCC(N2CCCN(C(=O)C(=O)NCCN(C)C3CC3)CC2)CC1 ZINC000422261839 1194601626 /nfs/dbraw/zinc/60/16/26/1194601626.db2.gz PWUDGOGGYGXLPF-UHFFFAOYSA-N 1 3 379.549 0.215 20 0 GCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000422378183 1194627068 /nfs/dbraw/zinc/62/70/68/1194627068.db2.gz LTGJEBPEGKMURP-RTBURBONSA-N 1 3 388.512 0.422 20 0 GCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000422378183 1194627071 /nfs/dbraw/zinc/62/70/71/1194627071.db2.gz LTGJEBPEGKMURP-RTBURBONSA-N 1 3 388.512 0.422 20 0 GCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000422395134 1194635169 /nfs/dbraw/zinc/63/51/69/1194635169.db2.gz IMJCEHHRFYZKGQ-IPMKNSEASA-N 1 3 394.560 0.812 20 0 GCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423166633 1194734389 /nfs/dbraw/zinc/73/43/89/1194734389.db2.gz RJOKXHMBGOWLKD-HSALFYBXSA-N 1 3 399.539 0.962 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423167285 1194735164 /nfs/dbraw/zinc/73/51/64/1194735164.db2.gz RXTGDLJKUSITCW-SJORKVTESA-N 1 3 376.476 0.784 20 0 GCADHO [NH3+]CCCOC1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000423172317 1194735491 /nfs/dbraw/zinc/73/54/91/1194735491.db2.gz SEOADRAYDFCSHJ-KRWDZBQOSA-N 1 3 380.533 0.820 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423212058 1194737334 /nfs/dbraw/zinc/73/73/34/1194737334.db2.gz ZOGHUPAHCWCXAI-FGTMMUONSA-N 1 3 394.560 0.922 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423199098 1194738674 /nfs/dbraw/zinc/73/86/74/1194738674.db2.gz ARJKIGCYLASYHM-FQEVSTJZSA-N 1 3 376.476 0.928 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC2)C[C@@H](C)O1 ZINC000423200101 1194738952 /nfs/dbraw/zinc/73/89/52/1194738952.db2.gz DDYRDCDLUOCVAX-HZPDHXFCSA-N 1 3 382.549 0.778 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423205394 1194739200 /nfs/dbraw/zinc/73/92/00/1194739200.db2.gz POPFKOGFERCUSI-HOTGVXAUSA-N 1 3 394.466 0.923 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423203033 1194739418 /nfs/dbraw/zinc/73/94/18/1194739418.db2.gz BTAZLBYDLGVIAZ-ZWKOTPCHSA-N 1 3 380.533 0.404 20 0 GCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000423361425 1194751423 /nfs/dbraw/zinc/75/14/23/1194751423.db2.gz GRUGILPYERHEJX-UHFFFAOYSA-N 1 3 396.557 0.995 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)C[C@@H](C)O1 ZINC000423504644 1194760137 /nfs/dbraw/zinc/76/01/37/1194760137.db2.gz NOOHBFIKCXJKLV-IAGOWNOFSA-N 1 3 394.560 0.922 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000423485615 1194760236 /nfs/dbraw/zinc/76/02/36/1194760236.db2.gz VJEJEYHNBPGBFR-QZTJIDSGSA-N 1 3 388.512 0.653 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000423484065 1194760453 /nfs/dbraw/zinc/76/04/53/1194760453.db2.gz TTYLJYREPYIOCH-HKUYNNGSSA-N 1 3 388.512 0.796 20 0 GCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423612548 1194773571 /nfs/dbraw/zinc/77/35/71/1194773571.db2.gz PWPCZPBIQVVXOH-KRWDZBQOSA-N 1 3 393.557 0.144 20 0 GCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423622294 1194778030 /nfs/dbraw/zinc/77/80/30/1194778030.db2.gz YUEXKHCNVURXBP-NUJGCVRESA-N 1 3 380.533 0.545 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000423667313 1194781828 /nfs/dbraw/zinc/78/18/28/1194781828.db2.gz JHDAFBUCKRGBST-UHFFFAOYSA-N 1 3 389.544 0.460 20 0 GCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000423715903 1194788259 /nfs/dbraw/zinc/78/82/59/1194788259.db2.gz HYEXJQVGWXIHRP-KRWDZBQOSA-N 1 3 375.517 0.068 20 0 GCADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000424288071 1194807392 /nfs/dbraw/zinc/80/73/92/1194807392.db2.gz KBHGRSBKMXSTRM-HZPDHXFCSA-N 1 3 398.504 0.518 20 0 GCADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000424299959 1194807799 /nfs/dbraw/zinc/80/77/99/1194807799.db2.gz WIIMEKUYFBNVSH-IAGOWNOFSA-N 1 3 398.504 0.518 20 0 GCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000424444244 1194811680 /nfs/dbraw/zinc/81/16/80/1194811680.db2.gz ZLHOETRVLZAGLG-HXUWFJFHSA-N 1 3 396.491 0.928 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000424500585 1194818579 /nfs/dbraw/zinc/81/85/79/1194818579.db2.gz CVVSYWAYIIENFG-ZYSHUDEJSA-N 1 3 398.511 0.310 20 0 GCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000414804708 1194827526 /nfs/dbraw/zinc/82/75/26/1194827526.db2.gz NZLRUOJMDGZQMG-UHFFFAOYSA-N 1 3 387.484 0.111 20 0 GCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000283679915 1194928761 /nfs/dbraw/zinc/92/87/61/1194928761.db2.gz FVJVLXXIENKXAM-INIZCTEOSA-N 1 3 391.516 0.629 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CCN1C1CC[NH+](C)CC1 ZINC000425378301 1194930952 /nfs/dbraw/zinc/93/09/52/1194930952.db2.gz BXGVKCZJJYWTLV-ZIFCJYIRSA-N 1 3 391.560 0.166 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000425403763 1194959220 /nfs/dbraw/zinc/95/92/20/1194959220.db2.gz ONYKZGJTQDZTCT-FCGDIQPGSA-N 1 3 391.560 0.023 20 0 GCADHO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000285318499 1194980302 /nfs/dbraw/zinc/98/03/02/1194980302.db2.gz WVIRNXGCNWHWFK-GOSISDBHSA-N 1 3 378.517 0.360 20 0 GCADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000285318499 1194980304 /nfs/dbraw/zinc/98/03/04/1194980304.db2.gz WVIRNXGCNWHWFK-GOSISDBHSA-N 1 3 378.517 0.360 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000549990872 1195109238 /nfs/dbraw/zinc/10/92/38/1195109238.db2.gz GHCDFKQUBWQMFC-UHFFFAOYSA-N 1 3 382.549 0.981 20 0 GCADHO COC[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000438353490 1195210896 /nfs/dbraw/zinc/21/08/96/1195210896.db2.gz BRMNNRADOCIYAK-ILOCAZANSA-N 1 3 382.549 0.979 20 0 GCADHO COC[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000438353490 1195210897 /nfs/dbraw/zinc/21/08/97/1195210897.db2.gz BRMNNRADOCIYAK-ILOCAZANSA-N 1 3 382.549 0.979 20 0 GCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000414969345 1195270279 /nfs/dbraw/zinc/27/02/79/1195270279.db2.gz FBQRCZDERPCCGL-KRWDZBQOSA-N 1 3 387.484 0.110 20 0 GCADHO CN1CCN(c2ncc(CNC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)cn2)CC1 ZINC000414973650 1195274768 /nfs/dbraw/zinc/27/47/68/1195274768.db2.gz KPMXPARPDBRTIP-OAHLLOKOSA-N 1 3 387.454 0.154 20 0 GCADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000414975454 1195277539 /nfs/dbraw/zinc/27/75/39/1195277539.db2.gz LRCLHQMGKPLTNT-WMLDXEAASA-N 1 3 387.484 0.410 20 0 GCADHO C[C@@H](NC(=O)[C@H]1CCCN1C1CCOCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000550137524 1195447059 /nfs/dbraw/zinc/44/70/59/1195447059.db2.gz FEIYDEFQLZDQHS-SJLPKXTDSA-N 1 3 380.533 0.737 20 0 GCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000664832818 1195450844 /nfs/dbraw/zinc/45/08/44/1195450844.db2.gz MBHNNVPAHCICAM-ARFHVFGLSA-N 1 3 391.582 0.276 20 0 GCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000664832818 1195450845 /nfs/dbraw/zinc/45/08/45/1195450845.db2.gz MBHNNVPAHCICAM-ARFHVFGLSA-N 1 3 391.582 0.276 20 0 GCADHO CN1CCN(CCCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000519633183 1195559969 /nfs/dbraw/zinc/55/99/69/1195559969.db2.gz VQEISMHXCLESOE-PMACEKPBSA-N 1 3 388.560 0.650 20 0 GCADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000550345069 1195638612 /nfs/dbraw/zinc/63/86/12/1195638612.db2.gz FREKJTFSAPIQOE-AWEZNQCLSA-N 1 3 375.477 0.204 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000550348733 1195639554 /nfs/dbraw/zinc/63/95/54/1195639554.db2.gz ONEZAZLOZUWMNY-KRWDZBQOSA-N 1 3 382.549 0.936 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000550348734 1195639652 /nfs/dbraw/zinc/63/96/52/1195639652.db2.gz ONEZAZLOZUWMNY-QGZVFWFLSA-N 1 3 382.549 0.936 20 0 GCADHO NC(=O)COc1ccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978449 1195658629 /nfs/dbraw/zinc/65/86/29/1195658629.db2.gz SEZXLXCRJUJNHK-QZTJIDSGSA-N 1 3 388.512 0.879 20 0 GCADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)NCCCCN2CCN(C)CC2)([NH+](C)C)C1 ZINC000520620628 1195803818 /nfs/dbraw/zinc/80/38/18/1195803818.db2.gz IIGBTZZDFJONRZ-NQIIRXRSSA-N 1 3 395.592 0.757 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C(=O)NCCOC)CC3)CC2)CC1 ZINC000521460860 1195997091 /nfs/dbraw/zinc/99/70/91/1195997091.db2.gz OQBLCEWUJVXVGQ-UHFFFAOYSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000443061648 1196017699 /nfs/dbraw/zinc/01/76/99/1196017699.db2.gz RWZLDYLCRYJABO-SOUVJXGZSA-N 1 3 382.530 0.961 20 0 GCADHO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443059348 1196018731 /nfs/dbraw/zinc/01/87/31/1196018731.db2.gz MNNJHJIAZWEVJH-HNNXBMFYSA-N 1 3 386.504 0.073 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550468056 1196045195 /nfs/dbraw/zinc/04/51/95/1196045195.db2.gz ARELSCZLHNNXKH-UHFFFAOYSA-N 1 3 395.592 0.853 20 0 GCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1CCN1C(=O)CNC1=O ZINC001087578649 1196050213 /nfs/dbraw/zinc/05/02/13/1196050213.db2.gz HMESPBGNAQWESC-CAOSSQGBSA-N 1 3 379.505 0.238 20 0 GCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCN1CCN1C(=O)CNC1=O ZINC001087578649 1196050214 /nfs/dbraw/zinc/05/02/14/1196050214.db2.gz HMESPBGNAQWESC-CAOSSQGBSA-N 1 3 379.505 0.238 20 0 GCADHO CN(C)CCN1C[C@H](C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1=O ZINC000247516125 1196081503 /nfs/dbraw/zinc/08/15/03/1196081503.db2.gz NQMNONDIYLYDQZ-BPQIPLTHSA-N 1 3 380.533 0.281 20 0 GCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000524619483 1196611178 /nfs/dbraw/zinc/61/11/78/1196611178.db2.gz UPIWPVYUVVTEQE-ZWKOTPCHSA-N 1 3 397.564 0.321 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000446365048 1196637957 /nfs/dbraw/zinc/63/79/57/1196637957.db2.gz YQNBNRNPYNQKLK-ZKNHNOBHSA-N 1 3 380.533 0.578 20 0 GCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446368041 1196638435 /nfs/dbraw/zinc/63/84/35/1196638435.db2.gz BWWUUIDKTBWFNT-OXFYSEKESA-N 1 3 380.533 0.578 20 0 GCADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000446371162 1196638523 /nfs/dbraw/zinc/63/85/23/1196638523.db2.gz OJUHBNURKLEPBU-IDHHARJASA-N 1 3 392.504 0.032 20 0 GCADHO COC(=O)c1cc(F)ccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527124233 1196767576 /nfs/dbraw/zinc/76/75/76/1196767576.db2.gz AESFTEHLCFEFCA-UHFFFAOYSA-N 1 3 382.436 0.503 20 0 GCADHO COC(=O)c1cc(C)ccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527374032 1196784210 /nfs/dbraw/zinc/78/42/10/1196784210.db2.gz CYDLPYYCPRODSF-UHFFFAOYSA-N 1 3 378.473 0.672 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000527373815 1196784641 /nfs/dbraw/zinc/78/46/41/1196784641.db2.gz MLSAUCUUUMRNRV-UHFFFAOYSA-N 1 3 390.488 0.320 20 0 GCADHO CC(C)[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N1CCN(C)CC1 ZINC000371663073 1196913521 /nfs/dbraw/zinc/91/35/21/1196913521.db2.gz FOFCZJWVYKFILD-UXHICEINSA-N 1 3 394.608 0.680 20 0 GCADHO CC(C)[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)N1CCN(C)CC1 ZINC000371663073 1196913523 /nfs/dbraw/zinc/91/35/23/1196913523.db2.gz FOFCZJWVYKFILD-UXHICEINSA-N 1 3 394.608 0.680 20 0 GCADHO CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCN(C)CC1 ZINC000532281218 1197137936 /nfs/dbraw/zinc/13/79/36/1197137936.db2.gz ITLICIGQDIYPKD-UFYCRDLUSA-N 1 3 395.592 0.935 20 0 GCADHO [NH3+]CCCn1cc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)nn1 ZINC000645598361 1197180122 /nfs/dbraw/zinc/18/01/22/1197180122.db2.gz ULZXLTQEXZGQOK-UHFFFAOYSA-N 1 3 385.516 0.959 20 0 GCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000151462414 1197297576 /nfs/dbraw/zinc/29/75/76/1197297576.db2.gz RQOQBOBGGRZMGU-INIZCTEOSA-N 1 3 377.493 0.215 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729610178 1197308511 /nfs/dbraw/zinc/30/85/11/1197308511.db2.gz DODWOKQGHXQQBE-ZACQAIPSSA-N 1 3 381.521 0.092 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729610178 1197308515 /nfs/dbraw/zinc/30/85/15/1197308515.db2.gz DODWOKQGHXQQBE-ZACQAIPSSA-N 1 3 381.521 0.092 20 0 GCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000897474956 1197365368 /nfs/dbraw/zinc/36/53/68/1197365368.db2.gz GOHYYESZISTLFS-HNAYVOBHSA-N 1 3 391.541 0.672 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(-n4cnnn4)cc3)CC2)CC1 ZINC000050798917 1197381181 /nfs/dbraw/zinc/38/11/81/1197381181.db2.gz PMOCFEFOXLAWOL-UHFFFAOYSA-N 1 3 383.500 0.880 20 0 GCADHO CNS(=O)(=O)c1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801272 1197381290 /nfs/dbraw/zinc/38/12/90/1197381290.db2.gz UOORXNDCMXBEEQ-UHFFFAOYSA-N 1 3 394.541 0.883 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000420183232 1197437037 /nfs/dbraw/zinc/43/70/37/1197437037.db2.gz GNNIDGUUWGHGPF-WBVHZDCISA-N 1 3 376.501 0.829 20 0 GCADHO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000520796641 1197449045 /nfs/dbraw/zinc/44/90/45/1197449045.db2.gz XEHVSYUJOXEUKZ-FUMNGEBKSA-N 1 3 382.508 0.787 20 0 GCADHO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000520796645 1197449123 /nfs/dbraw/zinc/44/91/23/1197449123.db2.gz XEHVSYUJOXEUKZ-IYWMVGAKSA-N 1 3 382.508 0.787 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1=O ZINC000246415779 1197469415 /nfs/dbraw/zinc/46/94/15/1197469415.db2.gz LOBWZXRCBBPEDI-CEXWTWQISA-N 1 3 393.576 0.319 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1=O ZINC000246415779 1197469419 /nfs/dbraw/zinc/46/94/19/1197469419.db2.gz LOBWZXRCBBPEDI-CEXWTWQISA-N 1 3 393.576 0.319 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)CCN2CCN(C)CC2)CC1=O ZINC000249296697 1197482492 /nfs/dbraw/zinc/48/24/92/1197482492.db2.gz MPAFHPKTAPXSLA-GUDVDZBRSA-N 1 3 393.576 0.461 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)CCN2CCN(C)CC2)CC1=O ZINC000249296697 1197482494 /nfs/dbraw/zinc/48/24/94/1197482494.db2.gz MPAFHPKTAPXSLA-GUDVDZBRSA-N 1 3 393.576 0.461 20 0 GCADHO NC(=O)CC[C@H](N)C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001212076688 1197501573 /nfs/dbraw/zinc/50/15/73/1197501573.db2.gz OLOOZUQYEOHYIZ-WFASDCNBSA-N 1 3 399.455 0.034 20 0 GCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000572404597 1197549684 /nfs/dbraw/zinc/54/96/84/1197549684.db2.gz PTIIOIRRLQSLBV-SCTDSRPQSA-N 1 3 389.544 0.723 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000465852696 1199087767 /nfs/dbraw/zinc/08/77/67/1199087767.db2.gz XICHUZFVTXIJJK-ZWKOTPCHSA-N 1 3 397.564 0.681 20 0 GCADHO C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1(C)C ZINC000656316968 1199170051 /nfs/dbraw/zinc/17/00/51/1199170051.db2.gz AXFXQWSEDYIQCL-SJORKVTESA-N 1 3 379.549 0.262 20 0 GCADHO C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1(C)C ZINC000656316968 1199170055 /nfs/dbraw/zinc/17/00/55/1199170055.db2.gz AXFXQWSEDYIQCL-SJORKVTESA-N 1 3 379.549 0.262 20 0 GCADHO CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1CCN(C)CC1 ZINC000465957400 1199226148 /nfs/dbraw/zinc/22/61/48/1199226148.db2.gz QBBSQWMYAHMWAB-ZWKOTPCHSA-N 1 3 396.580 0.145 20 0 GCADHO CC(C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1CCN(C)CC1 ZINC000465957400 1199226149 /nfs/dbraw/zinc/22/61/49/1199226149.db2.gz QBBSQWMYAHMWAB-ZWKOTPCHSA-N 1 3 396.580 0.145 20 0 GCADHO CCN1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC000672639982 1199296106 /nfs/dbraw/zinc/29/61/06/1199296106.db2.gz QNGOXGDOOBQMNR-IXDOHACOSA-N 1 3 379.549 0.212 20 0 GCADHO CCN1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC000672639982 1199296110 /nfs/dbraw/zinc/29/61/10/1199296110.db2.gz QNGOXGDOOBQMNR-IXDOHACOSA-N 1 3 379.549 0.212 20 0 GCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672655523 1199309805 /nfs/dbraw/zinc/30/98/05/1199309805.db2.gz AMHZSXZLHLACHS-RBUKOAKNSA-N 1 3 393.576 0.606 20 0 GCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672655523 1199309810 /nfs/dbraw/zinc/30/98/10/1199309810.db2.gz AMHZSXZLHLACHS-RBUKOAKNSA-N 1 3 393.576 0.606 20 0 GCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672655522 1199310648 /nfs/dbraw/zinc/31/06/48/1199310648.db2.gz AMHZSXZLHLACHS-OALUTQOASA-N 1 3 393.576 0.606 20 0 GCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672655522 1199310650 /nfs/dbraw/zinc/31/06/50/1199310650.db2.gz AMHZSXZLHLACHS-OALUTQOASA-N 1 3 393.576 0.606 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446305 1199659266 /nfs/dbraw/zinc/65/92/66/1199659266.db2.gz VGEPWBRCMKARBG-SJORKVTESA-N 1 3 382.549 0.792 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446305 1199659272 /nfs/dbraw/zinc/65/92/72/1199659272.db2.gz VGEPWBRCMKARBG-SJORKVTESA-N 1 3 382.549 0.792 20 0 GCADHO CN(C)C(=O)CN1CCC(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000069506603 1199700355 /nfs/dbraw/zinc/70/03/55/1199700355.db2.gz KUPVKYIZNUORAP-UHFFFAOYSA-N 1 3 396.580 0.206 20 0 GCADHO CN(C)C(=O)CN1CCC(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000069506603 1199700362 /nfs/dbraw/zinc/70/03/62/1199700362.db2.gz KUPVKYIZNUORAP-UHFFFAOYSA-N 1 3 396.580 0.206 20 0 GCADHO CN(C)C(=O)CN1CCC(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000069506603 1199700366 /nfs/dbraw/zinc/70/03/66/1199700366.db2.gz KUPVKYIZNUORAP-UHFFFAOYSA-N 1 3 396.580 0.206 20 0 GCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1=O ZINC000673550176 1199781446 /nfs/dbraw/zinc/78/14/46/1199781446.db2.gz PTQSRXOEEOBVCC-MJGOQNOKSA-N 1 3 382.549 0.792 20 0 GCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673584251 1199830124 /nfs/dbraw/zinc/83/01/24/1199830124.db2.gz ICTMWJSFCLFHME-ROUUACIJSA-N 1 3 380.533 0.423 20 0 GCADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1S(N)(=O)=O ZINC000673652672 1199918306 /nfs/dbraw/zinc/91/83/06/1199918306.db2.gz QEUCCJUIVZPSFN-UHFFFAOYSA-N 1 3 394.541 0.931 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000625465409 1199964144 /nfs/dbraw/zinc/96/41/44/1199964144.db2.gz NLMMXGBJATYUOC-FQEVSTJZSA-N 1 3 392.500 0.285 20 0 GCADHO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000675709785 1200455170 /nfs/dbraw/zinc/45/51/70/1200455170.db2.gz DFAKZSROJQFFOD-ROUUACIJSA-N 1 3 381.565 0.955 20 0 GCADHO CCc1cc(CNC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)n[nH]1 ZINC000804084181 1200491231 /nfs/dbraw/zinc/49/12/31/1200491231.db2.gz OWBQIMRZTARLFZ-UHFFFAOYSA-N 1 3 399.499 0.312 20 0 GCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369632794 1201001581 /nfs/dbraw/zinc/00/15/81/1201001581.db2.gz YUGOJZWYGLYMRS-MRXNPFEDSA-N 1 3 390.532 1.469 20 0 GCADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000923504979 1201052905 /nfs/dbraw/zinc/05/29/05/1201052905.db2.gz JEBMKYPFZVIYSO-GOSISDBHSA-N 1 3 393.576 0.321 20 0 GCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369483799 1201073074 /nfs/dbraw/zinc/07/30/74/1201073074.db2.gz JUKMLMQFFWIJSM-OAHLLOKOSA-N 1 3 376.505 0.936 20 0 GCADHO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000735592353 1201694734 /nfs/dbraw/zinc/69/47/34/1201694734.db2.gz DRKDLSCVCPMQQJ-FUHWJXTLSA-N 1 3 390.484 0.545 20 0 GCADHO CN(C(=O)COCCOCC(=O)N(C)[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN(C)C1 ZINC000741623516 1201781832 /nfs/dbraw/zinc/78/18/32/1201781832.db2.gz CSVBWCNQQBPDQW-ROUUACIJSA-N 1 3 398.548 0.125 20 0 GCADHO CN(C(=O)COCCOCC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(C)C1 ZINC000741623516 1201781837 /nfs/dbraw/zinc/78/18/37/1201781837.db2.gz CSVBWCNQQBPDQW-ROUUACIJSA-N 1 3 398.548 0.125 20 0 GCADHO COCCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000743919367 1201828153 /nfs/dbraw/zinc/82/81/53/1201828153.db2.gz HMYAXGQHXYSTED-MRXNPFEDSA-N 1 3 389.500 0.214 20 0 GCADHO CN(C)CCN1CCN(C)C2(CC[NH+]([C@@H]3CCCC4(C3)OCCO4)CC2)C1=O ZINC001169945716 1201960074 /nfs/dbraw/zinc/96/00/74/1201960074.db2.gz MZCDPBMZSQPUKS-GOSISDBHSA-N 1 3 394.560 0.842 20 0 GCADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000867012758 1201960262 /nfs/dbraw/zinc/96/02/62/1201960262.db2.gz OZLMXGGXMCKHDP-INIZCTEOSA-N 1 3 386.537 0.747 20 0 GCADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000867012758 1201960263 /nfs/dbraw/zinc/96/02/63/1201960263.db2.gz OZLMXGGXMCKHDP-INIZCTEOSA-N 1 3 386.537 0.747 20 0 GCADHO C[C@@H]1CN(C(=O)COCCOCC(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)[C@@H](C)CN1C ZINC000769147288 1202047922 /nfs/dbraw/zinc/04/79/22/1202047922.db2.gz WYCOXLXPAVHMAZ-FZDBZEDMSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1CN(C(=O)COCCOCC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)[C@@H](C)CN1C ZINC000769147288 1202047925 /nfs/dbraw/zinc/04/79/25/1202047925.db2.gz WYCOXLXPAVHMAZ-FZDBZEDMSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)COCCOCC(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000769147288 1202047929 /nfs/dbraw/zinc/04/79/29/1202047929.db2.gz WYCOXLXPAVHMAZ-FZDBZEDMSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)COCCOCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000769147288 1202047931 /nfs/dbraw/zinc/04/79/31/1202047931.db2.gz WYCOXLXPAVHMAZ-FZDBZEDMSA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1CN(C(=O)COCCOCC(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)[C@@H](C)CN1C ZINC000769147290 1202048206 /nfs/dbraw/zinc/04/82/06/1202048206.db2.gz WYCOXLXPAVHMAZ-MHORFTMASA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1CN(C(=O)COCCOCC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)[C@@H](C)CN1C ZINC000769147290 1202048209 /nfs/dbraw/zinc/04/82/09/1202048209.db2.gz WYCOXLXPAVHMAZ-MHORFTMASA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1CN(C(=O)COCCOCC(=O)N2C[C@H](C)N(C)C[C@@H]2C)[C@@H](C)C[N@H+]1C ZINC000769147290 1202048211 /nfs/dbraw/zinc/04/82/11/1202048211.db2.gz WYCOXLXPAVHMAZ-MHORFTMASA-N 1 3 398.548 0.122 20 0 GCADHO C[C@@H]1CN(C(=O)COCCOCC(=O)N2C[C@H](C)N(C)C[C@@H]2C)[C@@H](C)C[N@@H+]1C ZINC000769147290 1202048213 /nfs/dbraw/zinc/04/82/13/1202048213.db2.gz WYCOXLXPAVHMAZ-MHORFTMASA-N 1 3 398.548 0.122 20 0 GCADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)[NH+]1CCC(C)CC1 ZINC000787613627 1205394792 /nfs/dbraw/zinc/39/47/92/1205394792.db2.gz AUOLLPGTNADBRJ-GBESFXJTSA-N 1 3 394.560 0.839 20 0 GCADHO C[N@H+](CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CCCCC1 ZINC000787688603 1205399115 /nfs/dbraw/zinc/39/91/15/1205399115.db2.gz KAWQQFXJSAHBPC-ROUUACIJSA-N 1 3 380.533 0.737 20 0 GCADHO C[N@@H+](CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CCCCC1 ZINC000787688603 1205399117 /nfs/dbraw/zinc/39/91/17/1205399117.db2.gz KAWQQFXJSAHBPC-ROUUACIJSA-N 1 3 380.533 0.737 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000787910215 1205407157 /nfs/dbraw/zinc/40/71/57/1205407157.db2.gz KLYOMSARAMLPHZ-ZSYWTGECSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000787910215 1205407161 /nfs/dbraw/zinc/40/71/61/1205407161.db2.gz KLYOMSARAMLPHZ-ZSYWTGECSA-N 1 3 394.560 0.840 20 0 GCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000787901133 1205409234 /nfs/dbraw/zinc/40/92/34/1205409234.db2.gz AINCGAXVCIHBPX-FGTMMUONSA-N 1 3 380.533 0.737 20 0 GCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000787901133 1205409237 /nfs/dbraw/zinc/40/92/37/1205409237.db2.gz AINCGAXVCIHBPX-FGTMMUONSA-N 1 3 380.533 0.737 20 0 GCADHO O=C1O[C@@]2(CN1CN1CCN(CC3CCOCC3)CC1)C[NH+]1CCC2CC1 ZINC000790364529 1205463254 /nfs/dbraw/zinc/46/32/54/1205463254.db2.gz ZMZTWODASQIHEH-HXUWFJFHSA-N 1 3 378.517 0.905 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793715597 1205503284 /nfs/dbraw/zinc/50/32/84/1205503284.db2.gz HPIFZCTXXXERMT-QGZVFWFLSA-N 1 3 382.549 0.983 20 0 GCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCCCC1 ZINC000793708209 1205504663 /nfs/dbraw/zinc/50/46/63/1205504663.db2.gz LSBSGGOZAVJIED-IRXDYDNUSA-N 1 3 380.533 0.594 20 0 GCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000793909444 1205509279 /nfs/dbraw/zinc/50/92/79/1205509279.db2.gz GYEBFNJRECSVFJ-ZACQAIPSSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000793909444 1205509280 /nfs/dbraw/zinc/50/92/80/1205509280.db2.gz GYEBFNJRECSVFJ-ZACQAIPSSA-N 1 3 380.533 0.593 20 0 GCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793915353 1205509424 /nfs/dbraw/zinc/50/94/24/1205509424.db2.gz XSGIMLPBKYKAKA-RZFLPCETSA-N 1 3 380.533 0.448 20 0 GCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793915353 1205509425 /nfs/dbraw/zinc/50/94/25/1205509425.db2.gz XSGIMLPBKYKAKA-RZFLPCETSA-N 1 3 380.533 0.448 20 0 GCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000805636056 1205541857 /nfs/dbraw/zinc/54/18/57/1205541857.db2.gz JOAXQZDJCRMBFK-KZNAEPCWSA-N 1 3 394.560 0.983 20 0 GCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000805636056 1205541858 /nfs/dbraw/zinc/54/18/58/1205541858.db2.gz JOAXQZDJCRMBFK-KZNAEPCWSA-N 1 3 394.560 0.983 20 0 GCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000805636055 1205541887 /nfs/dbraw/zinc/54/18/87/1205541887.db2.gz JOAXQZDJCRMBFK-KURKYZTESA-N 1 3 394.560 0.983 20 0 GCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000805636055 1205541888 /nfs/dbraw/zinc/54/18/88/1205541888.db2.gz JOAXQZDJCRMBFK-KURKYZTESA-N 1 3 394.560 0.983 20 0 GCADHO CC1CCC2(CC1)OC[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)O2 ZINC000806707287 1205563757 /nfs/dbraw/zinc/56/37/57/1205563757.db2.gz PZOGXNLCEMHDBX-OHTSDLOESA-N 1 3 398.548 0.376 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000808324075 1205605986 /nfs/dbraw/zinc/60/59/86/1205605986.db2.gz ALNNYMGYBFRFHM-KRWDZBQOSA-N 1 3 380.920 0.875 20 0 GCADHO COC(=O)[C@@H](CN)C[NH2+][C@H]1C[C@@H](C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1 ZINC001172261923 1205715397 /nfs/dbraw/zinc/71/53/97/1205715397.db2.gz ZHQQCJZNYJATLB-VVLHAWIVSA-N 1 3 392.452 0.635 20 0 GCADHO CN(C)CCN1CC[N@@H+](C2CCN(CC(=O)OC(C)(C)C)CC2)CCC1=O ZINC001172894844 1205717902 /nfs/dbraw/zinc/71/79/02/1205717902.db2.gz ASMUDXBYFGOAMD-UHFFFAOYSA-N 1 3 382.549 0.888 20 0 GCADHO CN(C)CCN1CC[N@H+](C2CCN(CC(=O)OC(C)(C)C)CC2)CCC1=O ZINC001172894844 1205717904 /nfs/dbraw/zinc/71/79/04/1205717904.db2.gz ASMUDXBYFGOAMD-UHFFFAOYSA-N 1 3 382.549 0.888 20 0 GCADHO C[NH+](C)CCN1CCN(C2CCN(CC(=O)OC(C)(C)C)CC2)CCC1=O ZINC001172894844 1205717906 /nfs/dbraw/zinc/71/79/06/1205717906.db2.gz ASMUDXBYFGOAMD-UHFFFAOYSA-N 1 3 382.549 0.888 20 0 GCADHO Cn1nc2c(c1C(=O)N(CCCC[NH3+])C(=N)N)CN(C(=O)OC(C)(C)C)C2 ZINC001174902912 1205733228 /nfs/dbraw/zinc/73/32/28/1205733228.db2.gz UOBRLFUCIKJCEY-UHFFFAOYSA-N 1 3 379.465 0.745 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cnc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001176836374 1205755975 /nfs/dbraw/zinc/75/59/75/1205755975.db2.gz HETQCCPSAOCPGR-AHMROAQXSA-N 1 3 397.520 0.248 20 0 GCADHO CN1CCCC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001178693308 1205792363 /nfs/dbraw/zinc/79/23/63/1205792363.db2.gz ZGMZNFAMUXMFRW-KRWDZBQOSA-N 1 3 379.549 0.168 20 0 GCADHO CCN(CC)CC(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001180387479 1205823471 /nfs/dbraw/zinc/82/34/71/1205823471.db2.gz IBABWCHEZTVYOW-QGZVFWFLSA-N 1 3 378.521 0.695 20 0 GCADHO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC1(CO)CCN(C)CC1 ZINC001180410108 1205825038 /nfs/dbraw/zinc/82/50/38/1205825038.db2.gz PSXUIWOYYXFCCR-ZWKOTPCHSA-N 1 3 389.496 0.481 20 0 GCADHO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NC1(CO)CCN(C)CC1 ZINC001180410108 1205825039 /nfs/dbraw/zinc/82/50/39/1205825039.db2.gz PSXUIWOYYXFCCR-ZWKOTPCHSA-N 1 3 389.496 0.481 20 0 GCADHO CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C(=O)NC3(C[NH3+])COC3)CC2)C1 ZINC001183158975 1205888741 /nfs/dbraw/zinc/88/87/41/1205888741.db2.gz SRHLJAVCJANJRJ-HNNXBMFYSA-N 1 3 382.505 0.552 20 0 GCADHO CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C(=O)NC3(C[NH3+])COC3)CC2)C1 ZINC001183158977 1205888878 /nfs/dbraw/zinc/88/88/78/1205888878.db2.gz SRHLJAVCJANJRJ-OAHLLOKOSA-N 1 3 382.505 0.552 20 0 GCADHO CCOC(=O)N1CCN(C(=O)[C@@H](C)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000774726532 1205905745 /nfs/dbraw/zinc/90/57/45/1205905745.db2.gz OMQMPASZIGOXPU-QGZVFWFLSA-N 1 3 397.564 0.633 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001187742748 1205968299 /nfs/dbraw/zinc/96/82/99/1205968299.db2.gz VOJRBOZJXDPCFD-QMHOLRBPSA-N 1 3 383.493 0.319 20 0 GCADHO Cc1n[nH]cc1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001188061583 1205974916 /nfs/dbraw/zinc/97/49/16/1205974916.db2.gz IZIPQQGXVYVYJH-WRHRSQKMSA-N 1 3 397.520 0.627 20 0 GCADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCCCC1 ZINC000775220896 1205995389 /nfs/dbraw/zinc/99/53/89/1205995389.db2.gz CTDVBNCIFZHCPU-SJORKVTESA-N 1 3 380.533 0.737 20 0 GCADHO CC(C)N(C)Cc1nn(-c2ccc(N3CCN(C)CC3)nn2)c2c1CC[NH2+]C2 ZINC001164685947 719605119 /nfs/dbraw/zinc/60/51/19/719605119.db2.gz XEYTXONFJKUCJM-UHFFFAOYSA-N 1 3 384.532 0.900 20 0 GCADHO c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1N1CC[NH2+]CC1 ZINC001164737770 720739386 /nfs/dbraw/zinc/73/93/86/720739386.db2.gz CQNKYZCTCRIWHV-QZTJIDSGSA-N 1 3 381.484 0.623 20 0 GCADHO c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164866030 721061630 /nfs/dbraw/zinc/06/16/30/721061630.db2.gz BTIRVDXVJCWRKN-RBUKOAKNSA-N 1 3 395.511 0.761 20 0 GCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711825 949557859 /nfs/dbraw/zinc/55/78/59/949557859.db2.gz MRENOUYMJBLSBO-QWHCGFSZSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711825 949557871 /nfs/dbraw/zinc/55/78/71/949557871.db2.gz MRENOUYMJBLSBO-QWHCGFSZSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574957436 949615465 /nfs/dbraw/zinc/61/54/65/949615465.db2.gz XXWPCQAYBAQXOL-YRGRVCCFSA-N 1 3 375.452 0.940 20 0 GCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574957436 949615481 /nfs/dbraw/zinc/61/54/81/949615481.db2.gz XXWPCQAYBAQXOL-YRGRVCCFSA-N 1 3 375.452 0.940 20 0 GCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574714056 949617492 /nfs/dbraw/zinc/61/74/92/949617492.db2.gz ZXZLGJLSOWKVJO-JSGCOSHPSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574714056 949617508 /nfs/dbraw/zinc/61/75/08/949617508.db2.gz ZXZLGJLSOWKVJO-JSGCOSHPSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574714056 949617520 /nfs/dbraw/zinc/61/75/20/949617520.db2.gz ZXZLGJLSOWKVJO-JSGCOSHPSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574714056 949617533 /nfs/dbraw/zinc/61/75/33/949617533.db2.gz ZXZLGJLSOWKVJO-JSGCOSHPSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574714057 949619670 /nfs/dbraw/zinc/61/96/70/949619670.db2.gz ZXZLGJLSOWKVJO-OCCSQVGLSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574714057 949619682 /nfs/dbraw/zinc/61/96/82/949619682.db2.gz ZXZLGJLSOWKVJO-OCCSQVGLSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574714057 949619694 /nfs/dbraw/zinc/61/96/94/949619694.db2.gz ZXZLGJLSOWKVJO-OCCSQVGLSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574714057 949619705 /nfs/dbraw/zinc/61/97/05/949619705.db2.gz ZXZLGJLSOWKVJO-OCCSQVGLSA-N 1 3 375.452 0.894 20 0 GCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103001 951871354 /nfs/dbraw/zinc/87/13/54/951871354.db2.gz QKJBPEQHMSHSJM-ZDUSSCGKSA-N 1 3 387.463 0.944 20 0 GCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103001 951871357 /nfs/dbraw/zinc/87/13/57/951871357.db2.gz QKJBPEQHMSHSJM-ZDUSSCGKSA-N 1 3 387.463 0.944 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000530880325 530165106 /nfs/dbraw/zinc/16/51/06/530165106.db2.gz ZWOZNUYYDUESDU-UHFFFAOYSA-N 1 3 389.294 0.724 20 0 GCADHO CN(C)[C@@]1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCSC1 ZINC000417841451 530576561 /nfs/dbraw/zinc/57/65/61/530576561.db2.gz XKDAXKKFBTUBNW-TZMCWYRMSA-N 1 3 383.484 0.559 20 0 GCADHO CC1CCC(NS(=O)(=O)CC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000068423597 530793805 /nfs/dbraw/zinc/79/38/05/530793805.db2.gz PLIRVRXYADTFJF-UHFFFAOYSA-N 1 3 376.567 0.436 20 0 GCADHO CCOCCCN1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@H](C)C1 ZINC000772946618 640852604 /nfs/dbraw/zinc/85/26/04/640852604.db2.gz ODCKOAUZKHRSPA-IAGOWNOFSA-N 1 3 377.551 0.375 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000793036091 641462348 /nfs/dbraw/zinc/46/23/48/641462348.db2.gz NJFXJKSXSQHSRZ-UHFFFAOYSA-N 1 3 386.294 0.734 20 0 GCADHO CN(C)C[C@@H]1CN(C(=O)NCCS(=O)(=O)C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000875317900 641543436 /nfs/dbraw/zinc/54/34/36/641543436.db2.gz QXJRAWHWVSXAHH-HUUCEWRRSA-N 1 3 376.567 0.581 20 0 GCADHO Cn1ncc(I)c1CN[C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925727520 641915956 /nfs/dbraw/zinc/91/59/56/641915956.db2.gz GWLWQZSPHKJJDS-QOAFMVCWSA-N 1 3 376.242 0.867 20 0 GCADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000652469915 1192229308 /nfs/dbraw/zinc/22/93/08/1192229308.db2.gz IDKCESSMDUUCGT-OALUTQOASA-N 1 3 393.576 0.415 20 0 GCADHO CN1CCN(Cc2ccc(CNC(=O)c3cnnn3C3CC[NH2+]CC3)cc2)CC1 ZINC000662387273 1192287891 /nfs/dbraw/zinc/28/78/91/1192287891.db2.gz KALSDVLNTCYLFK-UHFFFAOYSA-N 1 3 397.527 0.880 20 0 GCADHO [NH3+]CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000563153107 1192368450 /nfs/dbraw/zinc/36/84/50/1192368450.db2.gz XVYPMNMHYBCCAL-UHFFFAOYSA-N 1 3 398.504 0.329 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@](C)(C(F)F)O1 ZINC000663537326 1192377697 /nfs/dbraw/zinc/37/76/97/1192377697.db2.gz GTOVDAUXAIJTBZ-DYVFJYSZSA-N 1 3 378.464 0.209 20 0 GCADHO CC(C)[NH+]1CCC(N2CCN(C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000433463790 1192486847 /nfs/dbraw/zinc/48/68/47/1192486847.db2.gz AMQWYBLDBJPWBP-SVFBPWRDSA-N 1 3 382.593 0.947 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)CC1 ZINC000050803110 1192501876 /nfs/dbraw/zinc/50/18/76/1192501876.db2.gz YWWWKANVWBYNJO-UHFFFAOYSA-N 1 3 391.516 0.526 20 0 GCADHO O=C(NC[C@H]1NCCc2ccccc21)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418630702 1192620730 /nfs/dbraw/zinc/62/07/30/1192620730.db2.gz FZWPLXYXJFEAEM-GGPKGHCWSA-N 1 3 385.512 0.819 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623398 1192621579 /nfs/dbraw/zinc/62/15/79/1192621579.db2.gz XCJRKHKYCQGAPV-HUUCEWRRSA-N 1 3 395.470 0.575 20 0 GCADHO COC[C@]1(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)CCC[NH2+]1 ZINC000418657597 1192625120 /nfs/dbraw/zinc/62/51/20/1192625120.db2.gz RIEBKKCUQXSRIH-IRFCIJBXSA-N 1 3 390.528 0.937 20 0 GCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000418765021 1192640289 /nfs/dbraw/zinc/64/02/89/1192640289.db2.gz ATWOBHQOBMOGSF-GOSISDBHSA-N 1 3 387.528 0.525 20 0 GCADHO CC(C)([NH3+])CNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418788014 1192644036 /nfs/dbraw/zinc/64/40/36/1192644036.db2.gz UYUMZGZCIGNMRE-UHFFFAOYSA-N 1 3 375.517 0.559 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(c3ccccc3)CC2)C[C@H]1[NH3+] ZINC000418782337 1192644768 /nfs/dbraw/zinc/64/47/68/1192644768.db2.gz NHLGTCREZKJKBO-IEBWSBKVSA-N 1 3 387.528 0.511 20 0 GCADHO CC(C)(CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])N1CCCCC1 ZINC000418846560 1192665394 /nfs/dbraw/zinc/66/53/94/1192665394.db2.gz YKRZDRWVFAQZCZ-MRXNPFEDSA-N 1 3 395.548 0.213 20 0 GCADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000418869417 1192672845 /nfs/dbraw/zinc/67/28/45/1192672845.db2.gz XDMALWIZKGGVAU-QZTJIDSGSA-N 1 3 376.501 0.680 20 0 GCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000418871074 1192673218 /nfs/dbraw/zinc/67/32/18/1192673218.db2.gz ZJCVASPUQZRBOL-SFHVURJKSA-N 1 3 375.517 0.207 20 0 GCADHO CC1CCN([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c2ccccc2)CC1 ZINC000418937410 1192694580 /nfs/dbraw/zinc/69/45/80/1192694580.db2.gz LCYXLNWRKLGSPY-MOPGFXCFSA-N 1 3 388.512 0.680 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000418955863 1192701775 /nfs/dbraw/zinc/70/17/75/1192701775.db2.gz RFEACGHNYAEXOK-RKTXRCNFSA-N 1 3 396.532 0.100 20 0 GCADHO C[C@@H]1CC[C@H](CNC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)O1 ZINC000419002295 1192713877 /nfs/dbraw/zinc/71/38/77/1192713877.db2.gz ZHYDDTLXHOBHBP-SJLPKXTDSA-N 1 3 388.512 0.780 20 0 GCADHO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419026529 1192727842 /nfs/dbraw/zinc/72/78/42/1192727842.db2.gz BNSIOVXEJOPOJP-MRXNPFEDSA-N 1 3 398.573 0.349 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000419044391 1192738169 /nfs/dbraw/zinc/73/81/69/1192738169.db2.gz PTLYAGKIKCDDBN-GOEBONIOSA-N 1 3 384.521 0.221 20 0 GCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)[C@@H](C)C1 ZINC000419044185 1192738319 /nfs/dbraw/zinc/73/83/19/1192738319.db2.gz SOJFLIADKWCUIQ-QAETUUGQSA-N 1 3 398.548 0.469 20 0 GCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)[C@@H](C)C1 ZINC000419044185 1192738322 /nfs/dbraw/zinc/73/83/22/1192738322.db2.gz SOJFLIADKWCUIQ-QAETUUGQSA-N 1 3 398.548 0.469 20 0 GCADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419040835 1192738709 /nfs/dbraw/zinc/73/87/09/1192738709.db2.gz XHSDXTMQNIWZQX-MRXNPFEDSA-N 1 3 382.574 0.970 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419048243 1192742467 /nfs/dbraw/zinc/74/24/67/1192742467.db2.gz ZSRFHDXTVMXJMY-GOSISDBHSA-N 1 3 376.501 0.808 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419048245 1192742699 /nfs/dbraw/zinc/74/26/99/1192742699.db2.gz ZSRFHDXTVMXJMY-SFHVURJKSA-N 1 3 376.501 0.808 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN(C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419114721 1192801158 /nfs/dbraw/zinc/80/11/58/1192801158.db2.gz SIGUHFKXZVTEDG-CGTJXYLNSA-N 1 3 376.501 0.588 20 0 GCADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419132080 1192806260 /nfs/dbraw/zinc/80/62/60/1192806260.db2.gz AUTIEKPNBYHNJJ-NQIIRXRSSA-N 1 3 388.512 0.591 20 0 GCADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419132078 1192806408 /nfs/dbraw/zinc/80/64/08/1192806408.db2.gz AUTIEKPNBYHNJJ-GHTZIAJQSA-N 1 3 388.512 0.591 20 0 GCADHO O=C1[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)CCN1c1ccc(F)cc1 ZINC000419141038 1192812625 /nfs/dbraw/zinc/81/26/25/1192812625.db2.gz KGJUTQHOTFYLIP-IBGZPJMESA-N 1 3 378.492 0.911 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419159195 1192818311 /nfs/dbraw/zinc/81/83/11/1192818311.db2.gz YZLOTUVUQZIZNA-GOEBONIOSA-N 1 3 392.500 0.472 20 0 GCADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419163551 1192820793 /nfs/dbraw/zinc/82/07/93/1192820793.db2.gz LOYOQKAMEKYVFG-MOPGFXCFSA-N 1 3 390.528 0.754 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1(C)C ZINC000419165068 1192822136 /nfs/dbraw/zinc/82/21/36/1192822136.db2.gz AVIDMCDHTTUWAB-UHFFFAOYSA-N 1 3 389.544 0.506 20 0 GCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419167290 1192823748 /nfs/dbraw/zinc/82/37/48/1192823748.db2.gz QKJRVEMHRKLNBB-RTBURBONSA-N 1 3 388.512 0.462 20 0 GCADHO COc1cc(CN(C)[C@]2(CO)CCOC2)cc(C[N@H+](C)[C@]2(CO)CCOC2)c1 ZINC000432868764 1192831178 /nfs/dbraw/zinc/83/11/78/1192831178.db2.gz XOLGZXKXDTYWKF-SFTDATJTSA-N 1 3 394.512 0.862 20 0 GCADHO COc1cc(CN(C)[C@]2(CO)CCOC2)cc(C[N@@H+](C)[C@]2(CO)CCOC2)c1 ZINC000432868764 1192831183 /nfs/dbraw/zinc/83/11/83/1192831183.db2.gz XOLGZXKXDTYWKF-SFTDATJTSA-N 1 3 394.512 0.862 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893742961 1192847448 /nfs/dbraw/zinc/84/74/48/1192847448.db2.gz NPJHTLDQKMTBGZ-MANSERQUSA-N 1 3 380.533 0.605 20 0 GCADHO C[C@@H]1CN(Cc2ccc(CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)cc2)C[C@@H](C)O1 ZINC000419218200 1192918158 /nfs/dbraw/zinc/91/81/58/1192918158.db2.gz RUJBDPZYWVJMNK-GVDBMIGSSA-N 1 3 388.512 0.732 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)CC[NH2+]1 ZINC000419218204 1192918208 /nfs/dbraw/zinc/91/82/08/1192918208.db2.gz RUJBDPZYWVJMNK-ZACQAIPSSA-N 1 3 388.512 0.732 20 0 GCADHO C[C@@H]1CN(Cc2ccc(CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000419218203 1192918250 /nfs/dbraw/zinc/91/82/50/1192918250.db2.gz RUJBDPZYWVJMNK-YESZJQIVSA-N 1 3 388.512 0.732 20 0 GCADHO CC(C)Nc1nc(NCCO)nc(NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000563512373 1192923465 /nfs/dbraw/zinc/92/34/65/1192923465.db2.gz LLSXGRCPHIVUNE-UHFFFAOYSA-N 1 3 385.516 0.570 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)CC2)CC1 ZINC000654815127 1184153128 /nfs/dbraw/zinc/15/31/28/1184153128.db2.gz LLBKBCQQUCULAD-QGZVFWFLSA-N 1 3 386.562 0.462 20 0 GCADHO CC[N@H+](CCO)CCNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000274680769 1184182636 /nfs/dbraw/zinc/18/26/36/1184182636.db2.gz RHCDMVHVCWBFEG-HXUWFJFHSA-N 1 3 391.560 0.979 20 0 GCADHO CC[N@@H+](CCO)CCNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000274680769 1184182641 /nfs/dbraw/zinc/18/26/41/1184182641.db2.gz RHCDMVHVCWBFEG-HXUWFJFHSA-N 1 3 391.560 0.979 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000610250405 1184576840 /nfs/dbraw/zinc/57/68/40/1184576840.db2.gz DHGMNYAAYHTDNL-FQEVSTJZSA-N 1 3 377.577 0.830 20 0 GCADHO CN1CCN(C(C)(C)CNC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000683373871 1184610735 /nfs/dbraw/zinc/61/07/35/1184610735.db2.gz LIQFONFDCKSRLL-UHFFFAOYSA-N 1 3 394.608 0.681 20 0 GCADHO CCN1CCN(CCCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275518399 1184695963 /nfs/dbraw/zinc/69/59/63/1184695963.db2.gz DUBAKYXXNFWHGQ-UHFFFAOYSA-N 1 3 389.544 0.873 20 0 GCADHO COc1ncc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C(N)=O ZINC000275574338 1184726835 /nfs/dbraw/zinc/72/68/35/1184726835.db2.gz DWTFEYTWPBWDCF-UHFFFAOYSA-N 1 3 390.488 0.869 20 0 GCADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCCN1CCCOCC1 ZINC000275688358 1184929874 /nfs/dbraw/zinc/92/98/74/1184929874.db2.gz VPLPLCGQNNRLNX-UHFFFAOYSA-N 1 3 390.532 0.615 20 0 GCADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656027586 1184963008 /nfs/dbraw/zinc/96/30/08/1184963008.db2.gz DNOAJUHTZFRYGQ-NCXUSEDFSA-N 1 3 392.544 0.864 20 0 GCADHO C[C@@H](N1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1)C(F)(F)F ZINC000580045182 1185032395 /nfs/dbraw/zinc/03/23/95/1185032395.db2.gz QDNWFAPJBGWHNK-CQSZACIVSA-N 1 3 395.470 0.033 20 0 GCADHO O=C(C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000580184555 1185109923 /nfs/dbraw/zinc/10/99/23/1185109923.db2.gz HHDIHEAOYGUJBA-FUMNGEBKSA-N 1 3 382.508 0.787 20 0 GCADHO O=C(C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000580184556 1185110174 /nfs/dbraw/zinc/11/01/74/1185110174.db2.gz HHDIHEAOYGUJBA-IYWMVGAKSA-N 1 3 382.508 0.787 20 0 GCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000564825275 1185223815 /nfs/dbraw/zinc/22/38/15/1185223815.db2.gz YORWTIRDULNHNP-MRXNPFEDSA-N 1 3 380.533 0.533 20 0 GCADHO CC(C)(CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCCC1 ZINC000580476857 1185245407 /nfs/dbraw/zinc/24/54/07/1185245407.db2.gz MFAPTKQKHCGKAK-MSOLQXFVSA-N 1 3 394.560 0.861 20 0 GCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000580561823 1185276511 /nfs/dbraw/zinc/27/65/11/1185276511.db2.gz YVQQDIKYSDBZLH-RBUKOAKNSA-N 1 3 388.512 0.652 20 0 GCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000580569625 1185277823 /nfs/dbraw/zinc/27/78/23/1185277823.db2.gz YINMLKOFYPLYIM-MRXNPFEDSA-N 1 3 376.505 0.021 20 0 GCADHO CCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000656300993 1185368144 /nfs/dbraw/zinc/36/81/44/1185368144.db2.gz WUVWYNNJWMXIGJ-KRWDZBQOSA-N 1 3 381.565 0.319 20 0 GCADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000580845235 1185394806 /nfs/dbraw/zinc/39/48/06/1185394806.db2.gz VLJPTALWSJBPQU-QZTJIDSGSA-N 1 3 399.495 0.034 20 0 GCADHO N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000580845238 1185394975 /nfs/dbraw/zinc/39/49/75/1185394975.db2.gz VLJPTALWSJBPQU-ROUUACIJSA-N 1 3 399.495 0.034 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000580852169 1185396250 /nfs/dbraw/zinc/39/62/50/1185396250.db2.gz DIWGRENUOCSVDL-UHFFFAOYSA-N 1 3 397.545 0.927 20 0 GCADHO C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1(C)C ZINC000656316964 1185403121 /nfs/dbraw/zinc/40/31/21/1185403121.db2.gz AXFXQWSEDYIQCL-IRXDYDNUSA-N 1 3 379.549 0.262 20 0 GCADHO C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1(C)C ZINC000656316964 1185403126 /nfs/dbraw/zinc/40/31/26/1185403126.db2.gz AXFXQWSEDYIQCL-IRXDYDNUSA-N 1 3 379.549 0.262 20 0 GCADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCSCC4)CCCC3)CCN2C1=O ZINC000580904536 1185411730 /nfs/dbraw/zinc/41/17/30/1185411730.db2.gz WFLSDIOLOXXBIW-HUUCEWRRSA-N 1 3 381.546 0.301 20 0 GCADHO N[C@H]1C[C@H]2CN(C(=O)NCC3([NH+]4CCSCC4)CCCC3)CCN2C1=O ZINC000580904535 1185411917 /nfs/dbraw/zinc/41/19/17/1185411917.db2.gz WFLSDIOLOXXBIW-GJZGRUSLSA-N 1 3 381.546 0.301 20 0 GCADHO CN(C)C(=O)N1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000127499529 1185417051 /nfs/dbraw/zinc/41/70/51/1185417051.db2.gz MVUPETGTBGRCBE-UHFFFAOYSA-N 1 3 380.537 0.554 20 0 GCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCO1 ZINC000656326133 1185418531 /nfs/dbraw/zinc/41/85/31/1185418531.db2.gz IQZXCUVCNHDUOV-FGTMMUONSA-N 1 3 380.533 0.737 20 0 GCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCO1 ZINC000656326133 1185418541 /nfs/dbraw/zinc/41/85/41/1185418541.db2.gz IQZXCUVCNHDUOV-FGTMMUONSA-N 1 3 380.533 0.737 20 0 GCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCO1 ZINC000656326136 1185419155 /nfs/dbraw/zinc/41/91/55/1185419155.db2.gz IQZXCUVCNHDUOV-SQNIBIBYSA-N 1 3 380.533 0.737 20 0 GCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCO1 ZINC000656326136 1185419158 /nfs/dbraw/zinc/41/91/58/1185419158.db2.gz IQZXCUVCNHDUOV-SQNIBIBYSA-N 1 3 380.533 0.737 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N(C)CC3([NH+](C)C)CCC3)C2)CC1 ZINC000580938445 1185434003 /nfs/dbraw/zinc/43/40/03/1185434003.db2.gz ILZGTSQOSIMWSV-SFHVURJKSA-N 1 3 393.576 0.556 20 0 GCADHO C[NH2+]CCN(C)C(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419421369 1185506338 /nfs/dbraw/zinc/50/63/38/1185506338.db2.gz OXPJIKIXFKCJBH-GOSISDBHSA-N 1 3 375.517 0.159 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000684150434 1185507250 /nfs/dbraw/zinc/50/72/50/1185507250.db2.gz XISNIPVUDCRMLN-UHFFFAOYSA-N 1 3 375.473 0.314 20 0 GCADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1F ZINC000430606005 1185700266 /nfs/dbraw/zinc/70/02/66/1185700266.db2.gz VEVDTSRTINSEKG-GDBMZVCRSA-N 1 3 394.491 0.968 20 0 GCADHO COCCC1(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000891481747 1185887087 /nfs/dbraw/zinc/88/70/87/1185887087.db2.gz GKKFNBXSYABJPM-MRXNPFEDSA-N 1 3 383.537 0.387 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891483486 1185887208 /nfs/dbraw/zinc/88/72/08/1185887208.db2.gz QJMXKGGCZLWFDW-KGLIPLIRSA-N 1 3 375.464 0.473 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891484811 1185887697 /nfs/dbraw/zinc/88/76/97/1185887697.db2.gz YDLXDBQEJHTVLN-IRXDYDNUSA-N 1 3 395.548 0.387 20 0 GCADHO CN(C)C(=O)Cn1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000548407636 1186070000 /nfs/dbraw/zinc/07/00/00/1186070000.db2.gz IWUFRPVRQWAYRZ-UHFFFAOYSA-N 1 3 391.520 0.651 20 0 GCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891865447 1186107091 /nfs/dbraw/zinc/10/70/91/1186107091.db2.gz PGTRIXDWIGWRNF-FZKCQIBNSA-N 1 3 379.505 0.683 20 0 GCADHO C[C@@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000431034238 1186110242 /nfs/dbraw/zinc/11/02/42/1186110242.db2.gz UTTORICCPYTHJN-CABCVRRESA-N 1 3 394.541 0.975 20 0 GCADHO CN1CCC([NH+]2CCC(NC(=O)N3CCN(CC(C)(C)O)CC3)CC2)CC1 ZINC000151541642 1186291610 /nfs/dbraw/zinc/29/16/10/1186291610.db2.gz IMDVKZMOGYCPMN-UHFFFAOYSA-N 1 3 381.565 0.643 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC000236841663 1186291796 /nfs/dbraw/zinc/29/17/96/1186291796.db2.gz JOGAZLRHTBLCLV-UHFFFAOYSA-N 1 3 391.520 0.137 20 0 GCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000582017264 1186372801 /nfs/dbraw/zinc/37/28/01/1186372801.db2.gz ISYKSDBHISFYKB-GOSISDBHSA-N 1 3 395.592 0.757 20 0 GCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000582017264 1186372804 /nfs/dbraw/zinc/37/28/04/1186372804.db2.gz ISYKSDBHISFYKB-GOSISDBHSA-N 1 3 395.592 0.757 20 0 GCADHO CN1CCN(CC[NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1(C)C ZINC000582176591 1186452742 /nfs/dbraw/zinc/45/27/42/1186452742.db2.gz BKRGNQGRMJFZIZ-KRWDZBQOSA-N 1 3 389.500 0.480 20 0 GCADHO CCN1CCN(Cc2ccccc2C[NH2+]CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000582236523 1186469244 /nfs/dbraw/zinc/46/92/44/1186469244.db2.gz ZNWRDVRNCPXMRK-UHFFFAOYSA-N 1 3 395.569 0.853 20 0 GCADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCC1 ZINC000582252536 1186478412 /nfs/dbraw/zinc/47/84/12/1186478412.db2.gz KFBVXPMNEPSPKQ-MSOLQXFVSA-N 1 3 385.512 0.995 20 0 GCADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCC1 ZINC000582252536 1186478414 /nfs/dbraw/zinc/47/84/14/1186478414.db2.gz KFBVXPMNEPSPKQ-MSOLQXFVSA-N 1 3 385.512 0.995 20 0 GCADHO CC(C)Nc1nc(NCCO)nc(NC2CC[NH+](CC3CCCC3)CC2)n1 ZINC000582503719 1186552105 /nfs/dbraw/zinc/55/21/05/1186552105.db2.gz OWQLDLJDKQIDTJ-UHFFFAOYSA-N 1 3 377.537 0.428 20 0 GCADHO CC1CCN(CCNC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1 ZINC000583015245 1186748107 /nfs/dbraw/zinc/74/81/07/1186748107.db2.gz WLIUGDKDAFHNAN-SJORKVTESA-N 1 3 378.517 0.062 20 0 GCADHO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N(C)CCC[N@H+](C)CCN(C)C ZINC000583107571 1186771445 /nfs/dbraw/zinc/77/14/45/1186771445.db2.gz YTCOADXWYDSBGB-LJQANCHMSA-N 1 3 390.576 0.934 20 0 GCADHO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N(C)CCC[N@@H+](C)CCN(C)C ZINC000583107571 1186771448 /nfs/dbraw/zinc/77/14/48/1186771448.db2.gz YTCOADXWYDSBGB-LJQANCHMSA-N 1 3 390.576 0.934 20 0 GCADHO C[C@H](CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)CN1CCN(C)CC1 ZINC000561285706 1186790504 /nfs/dbraw/zinc/79/05/04/1186790504.db2.gz ZLYWJWLFQWENPR-MSOLQXFVSA-N 1 3 381.565 0.319 20 0 GCADHO C[C@H](CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)CN1CCN(C)CC1 ZINC000561285706 1186790506 /nfs/dbraw/zinc/79/05/06/1186790506.db2.gz ZLYWJWLFQWENPR-MSOLQXFVSA-N 1 3 381.565 0.319 20 0 GCADHO CCc1ncc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cn1 ZINC000124588391 1186798156 /nfs/dbraw/zinc/79/81/56/1186798156.db2.gz JEZNGWKHOBFMII-MRXNPFEDSA-N 1 3 376.505 0.852 20 0 GCADHO CCc1ncc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cn1 ZINC000124588391 1186798158 /nfs/dbraw/zinc/79/81/58/1186798158.db2.gz JEZNGWKHOBFMII-MRXNPFEDSA-N 1 3 376.505 0.852 20 0 GCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccn(C)c1=O ZINC000124622871 1186799593 /nfs/dbraw/zinc/79/95/93/1186799593.db2.gz WRSLOBAYEFKYJS-OAHLLOKOSA-N 1 3 377.489 0.198 20 0 GCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccn(C)c1=O ZINC000124622871 1186799594 /nfs/dbraw/zinc/79/95/94/1186799594.db2.gz WRSLOBAYEFKYJS-OAHLLOKOSA-N 1 3 377.489 0.198 20 0 GCADHO CCc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)n(C)n1 ZINC000124658356 1186800202 /nfs/dbraw/zinc/80/02/02/1186800202.db2.gz ADMWFJOZXGECRJ-MRXNPFEDSA-N 1 3 378.521 0.796 20 0 GCADHO CCc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)n(C)n1 ZINC000124658356 1186800203 /nfs/dbraw/zinc/80/02/03/1186800203.db2.gz ADMWFJOZXGECRJ-MRXNPFEDSA-N 1 3 378.521 0.796 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000583285811 1186817947 /nfs/dbraw/zinc/81/79/47/1186817947.db2.gz QBVYSNMPCNCYHH-OTWHNJEPSA-N 1 3 392.544 0.567 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000583391582 1186843513 /nfs/dbraw/zinc/84/35/13/1186843513.db2.gz ZGSKEPZMRZFSPK-MRXNPFEDSA-N 1 3 386.562 0.333 20 0 GCADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CC[C@H]([N@H+](C)CCc4ccccc4)C3)C[C@H]21 ZINC000583764195 1186934680 /nfs/dbraw/zinc/93/46/80/1186934680.db2.gz AFHXHMKXHVOMFC-SLFFLAALSA-N 1 3 384.524 0.924 20 0 GCADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CC[C@H]([N@@H+](C)CCc4ccccc4)C3)C[C@H]21 ZINC000583764195 1186934681 /nfs/dbraw/zinc/93/46/81/1186934681.db2.gz AFHXHMKXHVOMFC-SLFFLAALSA-N 1 3 384.524 0.924 20 0 GCADHO CCN1CCN(C(=O)CC2CC[NH+](C[C@H](O)CN(C)CCOC)CC2)CC1 ZINC000584002200 1186977279 /nfs/dbraw/zinc/97/72/79/1186977279.db2.gz PHJFYRIXEZTDIK-LJQANCHMSA-N 1 3 384.565 0.192 20 0 GCADHO CCN1CCN(C(=O)CC2CCN(C[C@H](O)C[N@H+](C)CCOC)CC2)CC1 ZINC000584002200 1186977283 /nfs/dbraw/zinc/97/72/83/1186977283.db2.gz PHJFYRIXEZTDIK-LJQANCHMSA-N 1 3 384.565 0.192 20 0 GCADHO CCN1CCN(C(=O)CC2CCN(C[C@H](O)C[N@@H+](C)CCOC)CC2)CC1 ZINC000584002200 1186977286 /nfs/dbraw/zinc/97/72/86/1186977286.db2.gz PHJFYRIXEZTDIK-LJQANCHMSA-N 1 3 384.565 0.192 20 0 GCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000584011129 1186980616 /nfs/dbraw/zinc/98/06/16/1186980616.db2.gz ZYXHPJMVRVEIMK-KRWDZBQOSA-N 1 3 382.549 0.936 20 0 GCADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000584277682 1187024513 /nfs/dbraw/zinc/02/45/13/1187024513.db2.gz BSIIMFFJFSSJHP-CADBVGFASA-N 1 3 391.560 0.166 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@H]2O)CC[N@@H+]1C ZINC001023978797 1187208963 /nfs/dbraw/zinc/20/89/63/1187208963.db2.gz IWACSRYILYUZSC-YLFCFFPRSA-N 1 3 380.533 0.279 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@H]2O)CC[N@H+]1C ZINC001023978797 1187208966 /nfs/dbraw/zinc/20/89/66/1187208966.db2.gz IWACSRYILYUZSC-YLFCFFPRSA-N 1 3 380.533 0.279 20 0 GCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000658084563 1187242678 /nfs/dbraw/zinc/24/26/78/1187242678.db2.gz DHSXUYSEHYTGNK-GOSISDBHSA-N 1 3 381.565 0.271 20 0 GCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000658084563 1187242684 /nfs/dbraw/zinc/24/26/84/1187242684.db2.gz DHSXUYSEHYTGNK-GOSISDBHSA-N 1 3 381.565 0.271 20 0 GCADHO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000612046031 1187245449 /nfs/dbraw/zinc/24/54/49/1187245449.db2.gz XWSGDMCAKPYCHY-KURKYZTESA-N 1 3 378.517 0.489 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](N(C)c2ccccc2)C1 ZINC000658534420 1187328102 /nfs/dbraw/zinc/32/81/02/1187328102.db2.gz BNXXBNAQIQYLDM-IBGZPJMESA-N 1 3 389.544 0.676 20 0 GCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000612221986 1187410756 /nfs/dbraw/zinc/41/07/56/1187410756.db2.gz XVRUUOXOOXOLBJ-LJQANCHMSA-N 1 3 387.528 0.962 20 0 GCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000612546586 1187522896 /nfs/dbraw/zinc/52/28/96/1187522896.db2.gz UGJZFRHHKQZDAC-FGTMMUONSA-N 1 3 379.549 0.071 20 0 GCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN([C@H]4CCOC4)CC3)CC[C@H]21 ZINC000612595560 1187534640 /nfs/dbraw/zinc/53/46/40/1187534640.db2.gz IVLUNMHEPCZXRS-BPQIPLTHSA-N 1 3 378.517 0.299 20 0 GCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN([C@H]4CCOC4)CC3)CC[C@H]21 ZINC000612595560 1187534644 /nfs/dbraw/zinc/53/46/44/1187534644.db2.gz IVLUNMHEPCZXRS-BPQIPLTHSA-N 1 3 378.517 0.299 20 0 GCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612595263 1187535424 /nfs/dbraw/zinc/53/54/24/1187535424.db2.gz FRBMXDXDXPOAIF-ROUUACIJSA-N 1 3 380.533 0.689 20 0 GCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612595263 1187535426 /nfs/dbraw/zinc/53/54/26/1187535426.db2.gz FRBMXDXDXPOAIF-ROUUACIJSA-N 1 3 380.533 0.689 20 0 GCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612597000 1187536605 /nfs/dbraw/zinc/53/66/05/1187536605.db2.gz ZKTFAFSTBAEORW-IEBWSBKVSA-N 1 3 392.544 0.546 20 0 GCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612597000 1187536607 /nfs/dbraw/zinc/53/66/07/1187536607.db2.gz ZKTFAFSTBAEORW-IEBWSBKVSA-N 1 3 392.544 0.546 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000612598319 1187538454 /nfs/dbraw/zinc/53/84/54/1187538454.db2.gz BUQHVVWXLNMAOQ-QZTJIDSGSA-N 1 3 378.517 0.443 20 0 GCADHO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000612599140 1187538786 /nfs/dbraw/zinc/53/87/86/1187538786.db2.gz PUJVEIRPQHJZQH-ROUUACIJSA-N 1 3 378.517 0.443 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C[NH+]1CCCCC1 ZINC000612602437 1187540337 /nfs/dbraw/zinc/54/03/37/1187540337.db2.gz XVSDQXMAQNHSPZ-AEFFLSMTSA-N 1 3 380.533 0.594 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612778017 1187584822 /nfs/dbraw/zinc/58/48/22/1187584822.db2.gz UYWYELOUWOVDMW-UHFFFAOYSA-N 1 3 393.576 0.321 20 0 GCADHO CN1CCC[C@@H]1CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612876648 1187610006 /nfs/dbraw/zinc/61/00/06/1187610006.db2.gz MNEPPKKHGWZNLO-JKSUJKDBSA-N 1 3 375.521 0.803 20 0 GCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612880793 1187611016 /nfs/dbraw/zinc/61/10/16/1187611016.db2.gz JYQBCUQAULKCFT-JKSUJKDBSA-N 1 3 387.532 0.945 20 0 GCADHO COCC[NH+](CCOC)C1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000376343974 1187779212 /nfs/dbraw/zinc/77/92/12/1187779212.db2.gz MOEXQEFSAJWDPP-RTBURBONSA-N 1 3 398.548 0.618 20 0 GCADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)CC2)C[C@H](C)O1 ZINC000658993226 1187834127 /nfs/dbraw/zinc/83/41/27/1187834127.db2.gz IXRAWMYAAIFPMH-ZIFCJYIRSA-N 1 3 392.544 0.641 20 0 GCADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)CC2)C[C@H](C)O1 ZINC000658993226 1187834133 /nfs/dbraw/zinc/83/41/33/1187834133.db2.gz IXRAWMYAAIFPMH-ZIFCJYIRSA-N 1 3 392.544 0.641 20 0 GCADHO O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659096931 1187877706 /nfs/dbraw/zinc/87/77/06/1187877706.db2.gz FPTGZDRLKPCAMX-DLBZAZTESA-N 1 3 382.468 0.747 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000659318667 1187943524 /nfs/dbraw/zinc/94/35/24/1187943524.db2.gz WMBJUTWZTCPJNO-INIZCTEOSA-N 1 3 397.564 0.078 20 0 GCADHO CN(C(=O)C(=O)N1CCN(C2CCC2)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344580 1187946573 /nfs/dbraw/zinc/94/65/73/1187946573.db2.gz GZASUASPBBGPRD-LJQANCHMSA-N 1 3 391.560 0.310 20 0 GCADHO CN(C(=O)C(=O)N1CCN(C2CCC2)CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344580 1187946575 /nfs/dbraw/zinc/94/65/75/1187946575.db2.gz GZASUASPBBGPRD-LJQANCHMSA-N 1 3 391.560 0.310 20 0 GCADHO CC[C@H](C)N1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000659344598 1187947461 /nfs/dbraw/zinc/94/74/61/1187947461.db2.gz JHUJCPLTKWZDQL-HKUYNNGSSA-N 1 3 393.576 0.556 20 0 GCADHO CC[C@H](C)N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000659344598 1187947463 /nfs/dbraw/zinc/94/74/63/1187947463.db2.gz JHUJCPLTKWZDQL-HKUYNNGSSA-N 1 3 393.576 0.556 20 0 GCADHO CC[C@H](C)N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000659344598 1187947465 /nfs/dbraw/zinc/94/74/65/1187947465.db2.gz JHUJCPLTKWZDQL-HKUYNNGSSA-N 1 3 393.576 0.556 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000659376368 1187950814 /nfs/dbraw/zinc/95/08/14/1187950814.db2.gz BDVOKWXKEKHEKY-LJQANCHMSA-N 1 3 390.528 0.756 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000659376368 1187950815 /nfs/dbraw/zinc/95/08/15/1187950815.db2.gz BDVOKWXKEKHEKY-LJQANCHMSA-N 1 3 390.528 0.756 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000659376367 1187950900 /nfs/dbraw/zinc/95/09/00/1187950900.db2.gz BDVOKWXKEKHEKY-IBGZPJMESA-N 1 3 390.528 0.756 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000659376367 1187950903 /nfs/dbraw/zinc/95/09/03/1187950903.db2.gz BDVOKWXKEKHEKY-IBGZPJMESA-N 1 3 390.528 0.756 20 0 GCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000659513459 1187967459 /nfs/dbraw/zinc/96/74/59/1187967459.db2.gz YDFVFQDSZZUXQU-KBAYOESNSA-N 1 3 378.517 0.251 20 0 GCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000659513459 1187967461 /nfs/dbraw/zinc/96/74/61/1187967461.db2.gz YDFVFQDSZZUXQU-KBAYOESNSA-N 1 3 378.517 0.251 20 0 GCADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659541152 1187968792 /nfs/dbraw/zinc/96/87/92/1187968792.db2.gz ZTMLIVDUJSIESJ-HUUCEWRRSA-N 1 3 393.454 0.375 20 0 GCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589881 1187974134 /nfs/dbraw/zinc/97/41/34/1187974134.db2.gz ZGLASHWORTYTKM-QZTJIDSGSA-N 1 3 393.507 0.933 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000659688614 1187997372 /nfs/dbraw/zinc/99/73/72/1187997372.db2.gz CRDMPZFQUPTUJO-OAHLLOKOSA-N 1 3 390.488 0.170 20 0 GCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000659688614 1187997374 /nfs/dbraw/zinc/99/73/74/1187997374.db2.gz CRDMPZFQUPTUJO-OAHLLOKOSA-N 1 3 390.488 0.170 20 0 GCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000659698404 1187999496 /nfs/dbraw/zinc/99/94/96/1187999496.db2.gz NAPKCJRQDUCQAC-WMZOPIPTSA-N 1 3 375.517 0.206 20 0 GCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000659697478 1188001860 /nfs/dbraw/zinc/00/18/60/1188001860.db2.gz HYIRICDEAUDUIT-GOSISDBHSA-N 1 3 389.544 0.677 20 0 GCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC3CCN(Cc4ccncc4)CC3)C[C@@H]21 ZINC000659726931 1188013866 /nfs/dbraw/zinc/01/38/66/1188013866.db2.gz DDIUGAKOWSBUJV-HSALFYBXSA-N 1 3 399.539 0.996 20 0 GCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659730788 1188016516 /nfs/dbraw/zinc/01/65/16/1188016516.db2.gz VFPZSRLUYABDRF-NRFANRHFSA-N 1 3 385.512 0.622 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000659739412 1188017850 /nfs/dbraw/zinc/01/78/50/1188017850.db2.gz TYFMGLHTTUQSDP-BHIYHBOVSA-N 1 3 392.544 0.737 20 0 GCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659739521 1188018087 /nfs/dbraw/zinc/01/80/87/1188018087.db2.gz WQEMTJQWHLPCOV-MJGOQNOKSA-N 1 3 392.544 0.594 20 0 GCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000659739414 1188018119 /nfs/dbraw/zinc/01/81/19/1188018119.db2.gz TYFMGLHTTUQSDP-QXAKKESOSA-N 1 3 392.544 0.737 20 0 GCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000659740189 1188018925 /nfs/dbraw/zinc/01/89/25/1188018925.db2.gz FXGOULAVXQCUDY-QXAKKESOSA-N 1 3 394.560 0.968 20 0 GCADHO COCC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000376695745 1188021648 /nfs/dbraw/zinc/02/16/48/1188021648.db2.gz UQCKXKPMYWMJLT-KRWDZBQOSA-N 1 3 381.521 0.045 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)cc2)CC1 ZINC000415307276 1188028118 /nfs/dbraw/zinc/02/81/18/1188028118.db2.gz VQBTUVXRYZYEFC-UHFFFAOYSA-N 1 3 387.528 0.960 20 0 GCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000415492857 1188090662 /nfs/dbraw/zinc/09/06/62/1188090662.db2.gz LNBKBSPIGRVZBV-OAHLLOKOSA-N 1 3 375.473 0.704 20 0 GCADHO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893011706 1188099909 /nfs/dbraw/zinc/09/99/09/1188099909.db2.gz MDNYKOLEISAPDG-IPMKNSEASA-N 1 3 380.533 0.870 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)c2)CC1 ZINC000415586151 1188113000 /nfs/dbraw/zinc/11/30/00/1188113000.db2.gz BBBSAOAWMMOEIO-NRFANRHFSA-N 1 3 385.512 0.979 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC000415582877 1188113043 /nfs/dbraw/zinc/11/30/43/1188113043.db2.gz VDDICZBAZBYIHJ-FUHWJXTLSA-N 1 3 387.528 0.958 20 0 GCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)c2)CC1 ZINC000415592736 1188115319 /nfs/dbraw/zinc/11/53/19/1188115319.db2.gz CLCWXLVOYIUIPG-SFHVURJKSA-N 1 3 389.500 0.342 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC3=CC[NH2+]CC3)cc2)CC1 ZINC000415599296 1188118992 /nfs/dbraw/zinc/11/89/92/1188118992.db2.gz QIJFTHZZYDPLON-UHFFFAOYSA-N 1 3 385.512 0.799 20 0 GCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2)CC1 ZINC000415815187 1189367763 /nfs/dbraw/zinc/36/77/63/1189367763.db2.gz KMFDMRPNNWGGDV-APWZRJJASA-N 1 3 385.512 0.976 20 0 GCADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415862903 1189385714 /nfs/dbraw/zinc/38/57/14/1189385714.db2.gz KZRPTQGOISMJBB-HNNXBMFYSA-N 1 3 378.473 0.450 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)c2)CC1 ZINC000415873417 1189391535 /nfs/dbraw/zinc/39/15/35/1189391535.db2.gz UULPVWACVOMJOZ-IRXDYDNUSA-N 1 3 385.512 0.835 20 0 GCADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000893230123 1189501719 /nfs/dbraw/zinc/50/17/19/1189501719.db2.gz AEKAPLYCAOUDAA-SZMVWBNQSA-N 1 3 381.542 0.688 20 0 GCADHO CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000363837291 1189515020 /nfs/dbraw/zinc/51/50/20/1189515020.db2.gz XABWKKFNLLLTGT-MOPGFXCFSA-N 1 3 381.565 0.955 20 0 GCADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000511571528 1189559235 /nfs/dbraw/zinc/55/92/35/1189559235.db2.gz HCQAYJJWTXTCDH-PKOBYXMFSA-N 1 3 390.528 0.660 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)NCCN3CC[NH2+]CC3)cc2)CC1 ZINC000416999618 1189606579 /nfs/dbraw/zinc/60/65/79/1189606579.db2.gz XSSISLLOUMKTCW-UHFFFAOYSA-N 1 3 388.560 0.529 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000417016176 1189607968 /nfs/dbraw/zinc/60/79/68/1189607968.db2.gz HYYKJPFFACNUJF-IBGZPJMESA-N 1 3 375.517 0.482 20 0 GCADHO CN1CCN(CCCNC(=O)NC[C@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000417014813 1189608074 /nfs/dbraw/zinc/60/80/74/1189608074.db2.gz FYHUKMSCIUXZKW-MOPGFXCFSA-N 1 3 375.517 0.653 20 0 GCADHO [NH3+]C[C@H]1CN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000417148585 1189625472 /nfs/dbraw/zinc/62/54/72/1189625472.db2.gz HCUFRLPQTGMWLQ-IBGZPJMESA-N 1 3 375.517 0.958 20 0 GCADHO CN1CC[NH2+]C[C@H]1CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417159724 1189626409 /nfs/dbraw/zinc/62/64/09/1189626409.db2.gz XLKFDBAZXCZASP-FQEVSTJZSA-N 1 3 388.560 0.792 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000364165362 1189687299 /nfs/dbraw/zinc/68/72/99/1189687299.db2.gz PYSKJTPJTUHALT-DLBZAZTESA-N 1 3 381.521 0.045 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000364165362 1189687302 /nfs/dbraw/zinc/68/73/02/1189687302.db2.gz PYSKJTPJTUHALT-DLBZAZTESA-N 1 3 381.521 0.045 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC2)CC1 ZINC000660573186 1189907714 /nfs/dbraw/zinc/90/77/14/1189907714.db2.gz GUQMZDKMPGIJMX-QAPCUYQASA-N 1 3 377.533 0.855 20 0 GCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660583413 1189910089 /nfs/dbraw/zinc/91/00/89/1189910089.db2.gz BTFWUORHGFSJQX-DOTOQJQBSA-N 1 3 381.521 0.126 20 0 GCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660583413 1189910092 /nfs/dbraw/zinc/91/00/92/1189910092.db2.gz BTFWUORHGFSJQX-DOTOQJQBSA-N 1 3 381.521 0.126 20 0 GCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000661232742 1190020229 /nfs/dbraw/zinc/02/02/29/1190020229.db2.gz OLPXUCSTMOUVDE-QYZOEREBSA-N 1 3 391.560 0.310 20 0 GCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000661232742 1190020234 /nfs/dbraw/zinc/02/02/34/1190020234.db2.gz OLPXUCSTMOUVDE-QYZOEREBSA-N 1 3 391.560 0.310 20 0 GCADHO CN(C)Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000433088405 1193747200 /nfs/dbraw/zinc/74/72/00/1193747200.db2.gz MBTUFHRVRSNVDI-MRXNPFEDSA-N 1 3 382.530 0.614 20 0 GCADHO CN(C)Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000433088405 1193747202 /nfs/dbraw/zinc/74/72/02/1193747202.db2.gz MBTUFHRVRSNVDI-MRXNPFEDSA-N 1 3 382.530 0.614 20 0 GCADHO CN(C)c1nccc(N2CCN(C(=O)CCCN3CCC([NH3+])CC3)CC2)n1 ZINC000433149640 1193765781 /nfs/dbraw/zinc/76/57/81/1193765781.db2.gz DPZYBCBIDLBOPP-UHFFFAOYSA-N 1 3 375.521 0.395 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000512836710 1193786114 /nfs/dbraw/zinc/78/61/14/1193786114.db2.gz BGTMKJRPJIMPER-LJQANCHMSA-N 1 3 381.565 0.646 20 0 GCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000419326414 1193820031 /nfs/dbraw/zinc/82/00/31/1193820031.db2.gz CDWYFNSGHGPJMA-UHFFFAOYSA-N 1 3 387.528 0.438 20 0 GCADHO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000247875388 1193825238 /nfs/dbraw/zinc/82/52/38/1193825238.db2.gz YLJIQUUHKFXQLX-YDZRNGNQSA-N 1 3 381.565 0.906 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000419340437 1193836151 /nfs/dbraw/zinc/83/61/51/1193836151.db2.gz NHONFTXRIOCTGW-LJQANCHMSA-N 1 3 387.528 0.261 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000419346795 1193841379 /nfs/dbraw/zinc/84/13/79/1193841379.db2.gz VWWYIQGSTIPRMW-BGYRXZFFSA-N 1 3 399.539 0.118 20 0 GCADHO CC[NH2+]CCNC(=O)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000419347368 1193842500 /nfs/dbraw/zinc/84/25/00/1193842500.db2.gz WMYFRLDKATUJKE-UHFFFAOYSA-N 1 3 375.517 0.166 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419360944 1193864643 /nfs/dbraw/zinc/86/46/43/1193864643.db2.gz AGAVDTOOEJHZLA-WMLDXEAASA-N 1 3 388.512 0.431 20 0 GCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)Cc2ccccc2C1 ZINC000419373021 1193876160 /nfs/dbraw/zinc/87/61/60/1193876160.db2.gz LWZZTNQNNAWRPV-OTWHNJEPSA-N 1 3 384.524 0.788 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419419316 1194022496 /nfs/dbraw/zinc/02/24/96/1194022496.db2.gz JEDDCUAGGPIJJD-QAPCUYQASA-N 1 3 388.512 0.780 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419419316 1194022500 /nfs/dbraw/zinc/02/25/00/1194022500.db2.gz JEDDCUAGGPIJJD-QAPCUYQASA-N 1 3 388.512 0.780 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000419421714 1194023758 /nfs/dbraw/zinc/02/37/58/1194023758.db2.gz PJTMKAMWJNYCTH-IEBWSBKVSA-N 1 3 387.528 0.116 20 0 GCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419420458 1194023858 /nfs/dbraw/zinc/02/38/58/1194023858.db2.gz NAPOKKONPBTGPU-MJGOQNOKSA-N 1 3 389.544 0.453 20 0 GCADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419424340 1194025438 /nfs/dbraw/zinc/02/54/38/1194025438.db2.gz TVWDEGMZTKHXMV-QGZVFWFLSA-N 1 3 375.517 0.022 20 0 GCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)NC1CC[NH2+]CC1 ZINC000419427561 1194026556 /nfs/dbraw/zinc/02/65/56/1194026556.db2.gz ZGHVFECCHPNJFF-UHFFFAOYSA-N 1 3 387.528 0.179 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000419427549 1194026779 /nfs/dbraw/zinc/02/67/79/1194026779.db2.gz ZFDBBASXXXRLMP-OALUTQOASA-N 1 3 387.528 0.350 20 0 GCADHO CN1CCN(CCCNC(=O)C(=O)NCC2([NH3+])CCC2)[C@H](c2ccccc2)C1 ZINC000419413368 1194030588 /nfs/dbraw/zinc/03/05/88/1194030588.db2.gz FIPMRUPULATVGN-SFHVURJKSA-N 1 3 387.528 0.479 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419507173 1194047413 /nfs/dbraw/zinc/04/74/13/1194047413.db2.gz OCUIHRBXHGWOPX-JQHSSLGASA-N 1 3 388.512 0.854 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419507173 1194047416 /nfs/dbraw/zinc/04/74/16/1194047416.db2.gz OCUIHRBXHGWOPX-JQHSSLGASA-N 1 3 388.512 0.854 20 0 GCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)c1 ZINC000419517445 1194052560 /nfs/dbraw/zinc/05/25/60/1194052560.db2.gz WXWLPUJTXMJMPF-GOSISDBHSA-N 1 3 389.544 0.819 20 0 GCADHO COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CCCNCC1)c1ccccc1 ZINC000419539405 1194055846 /nfs/dbraw/zinc/05/58/46/1194055846.db2.gz POUQUNLSEOHBTN-GOSISDBHSA-N 1 3 376.501 0.634 20 0 GCADHO COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CCCNCC1)c1ccccc1 ZINC000419539405 1194055850 /nfs/dbraw/zinc/05/58/50/1194055850.db2.gz POUQUNLSEOHBTN-GOSISDBHSA-N 1 3 376.501 0.634 20 0 GCADHO C[C@@H](CO)CCCNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419574465 1194059500 /nfs/dbraw/zinc/05/95/00/1194059500.db2.gz SMGDRLCLGHJQIP-QGZVFWFLSA-N 1 3 390.528 0.621 20 0 GCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCSC1 ZINC000419583859 1194060860 /nfs/dbraw/zinc/06/08/60/1194060860.db2.gz LQMVKRSUYJPJHI-FRQCXROJSA-N 1 3 376.526 0.493 20 0 GCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419596028 1194068099 /nfs/dbraw/zinc/06/80/99/1194068099.db2.gz XKMWBJGADKRYNQ-SQNIBIBYSA-N 1 3 380.533 0.722 20 0 GCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CCCO1 ZINC000419681226 1194081248 /nfs/dbraw/zinc/08/12/48/1194081248.db2.gz RNFVZBRXNLMFIQ-KRWDZBQOSA-N 1 3 380.533 0.725 20 0 GCADHO C[C@H](C[NH3+])NC(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000419689065 1194085063 /nfs/dbraw/zinc/08/50/63/1194085063.db2.gz IEGRNVOSQJFQDE-QGZVFWFLSA-N 1 3 375.517 0.164 20 0 GCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000419693541 1194085998 /nfs/dbraw/zinc/08/59/98/1194085998.db2.gz NLUIETLWOJIKIB-SFHVURJKSA-N 1 3 389.544 0.506 20 0 GCADHO CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000419758529 1194099310 /nfs/dbraw/zinc/09/93/10/1194099310.db2.gz JQGBGFRPWPOROH-IBGZPJMESA-N 1 3 390.528 0.747 20 0 GCADHO COc1cc(NC(=O)C(=O)NCC2(N(C)C)CC2)ccc1OCC[NH+](C)C ZINC000419824690 1194111018 /nfs/dbraw/zinc/11/10/18/1194111018.db2.gz QPTOUJULMKGVEX-UHFFFAOYSA-N 1 3 378.473 0.785 20 0 GCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419850357 1194115316 /nfs/dbraw/zinc/11/53/16/1194115316.db2.gz FXBQALANJWDCIO-UHFFFAOYSA-N 1 3 393.507 0.127 20 0 GCADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000419852718 1194120850 /nfs/dbraw/zinc/12/08/50/1194120850.db2.gz LXDWOOGTLHPUKA-IBGZPJMESA-N 1 3 387.528 0.179 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419856552 1194122389 /nfs/dbraw/zinc/12/23/89/1194122389.db2.gz JBZKNKHIAKEUOA-NUJGCVRESA-N 1 3 380.533 0.450 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419858021 1194123045 /nfs/dbraw/zinc/12/30/45/1194123045.db2.gz KVNGCUTUNAXZAX-CQSZACIVSA-N 1 3 382.455 0.971 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000419851751 1194129467 /nfs/dbraw/zinc/12/94/67/1194129467.db2.gz JLTWAZYJFXVECT-IYBDPMFKSA-N 1 3 380.533 0.593 20 0 GCADHO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419916392 1194137936 /nfs/dbraw/zinc/13/79/36/1194137936.db2.gz QSBWTIKJHHQCTJ-GOSISDBHSA-N 1 3 376.501 0.762 20 0 GCADHO COc1cnccc1N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419923871 1194139860 /nfs/dbraw/zinc/13/98/60/1194139860.db2.gz BOUGKIKLWJZEOD-HNNXBMFYSA-N 1 3 375.473 0.245 20 0 GCADHO CN(C)Cc1ccc(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000419939431 1194145962 /nfs/dbraw/zinc/14/59/62/1194145962.db2.gz RHSJNZJYWKESFH-QGZVFWFLSA-N 1 3 388.516 0.050 20 0 GCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419960519 1194147902 /nfs/dbraw/zinc/14/79/02/1194147902.db2.gz WGAFXBDYQDYCJI-WMZOPIPTSA-N 1 3 375.517 0.866 20 0 GCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000420030651 1194160414 /nfs/dbraw/zinc/16/04/14/1194160414.db2.gz GPKTWIUPVRKIIN-ZBFHGGJFSA-N 1 3 384.521 0.175 20 0 GCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420041650 1194166902 /nfs/dbraw/zinc/16/69/02/1194166902.db2.gz PYNRTECQAODNMP-WMLDXEAASA-N 1 3 394.491 0.945 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000420044041 1194167423 /nfs/dbraw/zinc/16/74/23/1194167423.db2.gz OZLPTOVYWODBGB-PSBWJHGTSA-N 1 3 394.560 0.968 20 0 GCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000420055086 1194171101 /nfs/dbraw/zinc/17/11/01/1194171101.db2.gz LPVCONLKUJMXNQ-LJQANCHMSA-N 1 3 386.496 0.992 20 0 GCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420078726 1194173752 /nfs/dbraw/zinc/17/37/52/1194173752.db2.gz FSXBLNSTJWVXPB-IYBDPMFKSA-N 1 3 382.549 0.968 20 0 GCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420078724 1194173957 /nfs/dbraw/zinc/17/39/57/1194173957.db2.gz FSXBLNSTJWVXPB-HOTGVXAUSA-N 1 3 382.549 0.968 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000420133584 1194190761 /nfs/dbraw/zinc/19/07/61/1194190761.db2.gz TYPPGHIIWWSJKX-WBVHZDCISA-N 1 3 376.501 0.842 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCCC3=CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000420162977 1194191880 /nfs/dbraw/zinc/19/18/80/1194191880.db2.gz JRHRQZFLLAYUSA-IAGOWNOFSA-N 1 3 392.544 0.760 20 0 GCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420182539 1194197087 /nfs/dbraw/zinc/19/70/87/1194197087.db2.gz FMFFDUGKVIVXRF-LJQANCHMSA-N 1 3 390.528 0.504 20 0 GCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420182538 1194197277 /nfs/dbraw/zinc/19/72/77/1194197277.db2.gz FMFFDUGKVIVXRF-IBGZPJMESA-N 1 3 390.528 0.504 20 0 GCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501586669 1194197343 /nfs/dbraw/zinc/19/73/43/1194197343.db2.gz GBCJVQPTIMROAV-QGZVFWFLSA-N 1 3 382.549 0.650 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)C[C@@H](C)O1 ZINC000420173634 1194201048 /nfs/dbraw/zinc/20/10/48/1194201048.db2.gz VQGWWHIYKWVPTJ-VXIBKDFQSA-N 1 3 394.560 0.981 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420199598 1194202558 /nfs/dbraw/zinc/20/25/58/1194202558.db2.gz WTBTXTONEFFOAU-HNNXBMFYSA-N 1 3 398.454 0.350 20 0 GCADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420198997 1194202807 /nfs/dbraw/zinc/20/28/07/1194202807.db2.gz MYRIHKUXCMUVJN-RTBURBONSA-N 1 3 388.512 0.462 20 0 GCADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420198997 1194202809 /nfs/dbraw/zinc/20/28/09/1194202809.db2.gz MYRIHKUXCMUVJN-RTBURBONSA-N 1 3 388.512 0.462 20 0 GCADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420192429 1194207766 /nfs/dbraw/zinc/20/77/66/1194207766.db2.gz BFCVQNXVKNMWMZ-IBGZPJMESA-N 1 3 388.512 0.462 20 0 GCADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420192429 1194207772 /nfs/dbraw/zinc/20/77/72/1194207772.db2.gz BFCVQNXVKNMWMZ-IBGZPJMESA-N 1 3 388.512 0.462 20 0 GCADHO C[C@H]1OCCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000420209533 1194211541 /nfs/dbraw/zinc/21/15/41/1194211541.db2.gz SZVOJMGSWCJDEL-IAGOWNOFSA-N 1 3 388.512 0.732 20 0 GCADHO NC1(CNC(=O)C(=O)N2C[C@H](F)C[C@H]2CO)CC[NH+](Cc2ccccc2)CC1 ZINC000420213885 1194213949 /nfs/dbraw/zinc/21/39/49/1194213949.db2.gz YYQNBMKPBXQBAY-SJORKVTESA-N 1 3 392.475 0.027 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501649278 1194219309 /nfs/dbraw/zinc/21/93/09/1194219309.db2.gz SKSABOFXIRLHED-IBGZPJMESA-N 1 3 393.576 0.463 20 0 GCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501649278 1194219312 /nfs/dbraw/zinc/21/93/12/1194219312.db2.gz SKSABOFXIRLHED-IBGZPJMESA-N 1 3 393.576 0.463 20 0 GCADHO CN(C)S(=O)(=O)c1ccc(OCCN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347224 1194222261 /nfs/dbraw/zinc/22/22/61/1194222261.db2.gz FVPUFHWFVHUUML-MRXNPFEDSA-N 1 3 382.530 0.295 20 0 GCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652726624 1194348509 /nfs/dbraw/zinc/34/85/09/1194348509.db2.gz DWNKDLQZRNROEB-RCCFBDPRSA-N 1 3 382.549 0.778 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CCN1C1CC[NH+](C)CC1 ZINC000422103439 1194385984 /nfs/dbraw/zinc/38/59/84/1194385984.db2.gz GSESGRVOQJQIQU-AEFFLSMTSA-N 1 3 379.549 0.166 20 0 GCADHO COCCN1CC[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000272764470 1194498494 /nfs/dbraw/zinc/49/84/94/1194498494.db2.gz LGDTYPFJOYJHBV-OALUTQOASA-N 1 3 376.501 0.773 20 0 GCADHO COCCN1CC[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000272764470 1194498498 /nfs/dbraw/zinc/49/84/98/1194498498.db2.gz LGDTYPFJOYJHBV-OALUTQOASA-N 1 3 376.501 0.773 20 0 GCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000422268692 1194596751 /nfs/dbraw/zinc/59/67/51/1194596751.db2.gz KHOVBTOQZRQZDW-QGZVFWFLSA-N 1 3 376.501 0.796 20 0 GCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000422302906 1194610166 /nfs/dbraw/zinc/61/01/66/1194610166.db2.gz HAKXPDGNXYVLHG-SFHVURJKSA-N 1 3 390.528 0.838 20 0 GCADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503303457 1194624942 /nfs/dbraw/zinc/62/49/42/1194624942.db2.gz PZYFWTVNHHYNGK-UHFFFAOYSA-N 1 3 385.534 0.799 20 0 GCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000422378182 1194626838 /nfs/dbraw/zinc/62/68/38/1194626838.db2.gz LTGJEBPEGKMURP-RBUKOAKNSA-N 1 3 388.512 0.422 20 0 GCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000422378182 1194626840 /nfs/dbraw/zinc/62/68/40/1194626840.db2.gz LTGJEBPEGKMURP-RBUKOAKNSA-N 1 3 388.512 0.422 20 0 GCADHO CCOC(=O)C1([C@H](C)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC[NH2+]CC1 ZINC000422993370 1194713745 /nfs/dbraw/zinc/71/37/45/1194713745.db2.gz SPZBZSLIYLRWKR-GJZGRUSLSA-N 1 3 377.489 0.745 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423095480 1194726729 /nfs/dbraw/zinc/72/67/29/1194726729.db2.gz MNEZUALXHFNUQS-HXUWFJFHSA-N 1 3 376.476 0.928 20 0 GCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423103637 1194729761 /nfs/dbraw/zinc/72/97/61/1194729761.db2.gz XRUONONMIHQQBU-DOTOQJQBSA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423167282 1194735187 /nfs/dbraw/zinc/73/51/87/1194735187.db2.gz RXTGDLJKUSITCW-DLBZAZTESA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423168956 1194735191 /nfs/dbraw/zinc/73/51/91/1194735191.db2.gz VNRVRXBOAAEXFJ-DLBZAZTESA-N 1 3 376.476 0.784 20 0 GCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423205826 1194736559 /nfs/dbraw/zinc/73/65/59/1194736559.db2.gz PRSJXMXVUHEJRD-HOCLYGCPSA-N 1 3 394.466 0.923 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423208373 1194736584 /nfs/dbraw/zinc/73/65/84/1194736584.db2.gz HTVJLJOZWFZMPC-MSOLQXFVSA-N 1 3 394.560 0.792 20 0 GCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423208374 1194736598 /nfs/dbraw/zinc/73/65/98/1194736598.db2.gz HTVJLJOZWFZMPC-QZTJIDSGSA-N 1 3 394.560 0.792 20 0 GCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423212060 1194737373 /nfs/dbraw/zinc/73/73/73/1194737373.db2.gz ZOGHUPAHCWCXAI-KSZLIROESA-N 1 3 394.560 0.922 20 0 GCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000423212100 1194737510 /nfs/dbraw/zinc/73/75/10/1194737510.db2.gz ZRNNSICYLDJWAC-AWEZNQCLSA-N 1 3 382.455 0.923 20 0 GCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000423212101 1194737585 /nfs/dbraw/zinc/73/75/85/1194737585.db2.gz ZRNNSICYLDJWAC-CQSZACIVSA-N 1 3 382.455 0.923 20 0 GCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423197707 1194738556 /nfs/dbraw/zinc/73/85/56/1194738556.db2.gz ASDMYDGXPOLYMZ-IBGZPJMESA-N 1 3 390.528 0.586 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423199488 1194738574 /nfs/dbraw/zinc/73/85/74/1194738574.db2.gz BQNPDQKVJUJDCY-CVEARBPZSA-N 1 3 394.466 0.923 20 0 GCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423199489 1194738693 /nfs/dbraw/zinc/73/86/93/1194738693.db2.gz BQNPDQKVJUJDCY-HOTGVXAUSA-N 1 3 394.466 0.923 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423203032 1194739237 /nfs/dbraw/zinc/73/92/37/1194739237.db2.gz BTAZLBYDLGVIAZ-ROUUACIJSA-N 1 3 380.533 0.404 20 0 GCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423204258 1194739350 /nfs/dbraw/zinc/73/93/50/1194739350.db2.gz DGSSDAWNBLKLAB-SFHVURJKSA-N 1 3 380.533 0.546 20 0 GCADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423409026 1194755068 /nfs/dbraw/zinc/75/50/68/1194755068.db2.gz BGDSZQXPFRZKSL-KRWDZBQOSA-N 1 3 393.536 0.481 20 0 GCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000423470587 1194758508 /nfs/dbraw/zinc/75/85/08/1194758508.db2.gz DBJPBHWKLZHONG-HXUWFJFHSA-N 1 3 376.501 0.783 20 0 GCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423505654 1194760076 /nfs/dbraw/zinc/76/00/76/1194760076.db2.gz OQMCCCMQTCLYRD-LNLFQRSKSA-N 1 3 394.560 0.792 20 0 GCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423494215 1194761125 /nfs/dbraw/zinc/76/11/25/1194761125.db2.gz ACEVVCKISUUGHN-LZJOCLMNSA-N 1 3 394.560 0.922 20 0 GCADHO CO[C@@H]1CCN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)[C@@H](C[NH3+])C1 ZINC000423628635 1194775379 /nfs/dbraw/zinc/77/53/79/1194775379.db2.gz AOJAIDOSNJXPAD-HZPDHXFCSA-N 1 3 380.489 0.525 20 0 GCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423622292 1194777944 /nfs/dbraw/zinc/77/79/44/1194777944.db2.gz YUEXKHCNVURXBP-JZXOWHBKSA-N 1 3 380.533 0.545 20 0 GCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423656112 1194780077 /nfs/dbraw/zinc/78/00/77/1194780077.db2.gz TZLWLNPYDQCDQO-BMFAXAFESA-N 1 3 394.560 0.920 20 0 GCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423658197 1194780610 /nfs/dbraw/zinc/78/06/10/1194780610.db2.gz XIXBIAHZRLMSCB-CUSZFKRNSA-N 1 3 380.533 0.530 20 0 GCADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000424340249 1194809185 /nfs/dbraw/zinc/80/91/85/1194809185.db2.gz XPQQVBYAEJKKPK-QZTJIDSGSA-N 1 3 394.541 0.520 20 0 GCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000424453223 1194815241 /nfs/dbraw/zinc/81/52/41/1194815241.db2.gz JVZUKUYHKZOZCS-KRWDZBQOSA-N 1 3 389.500 0.451 20 0 GCADHO C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CCCN1CCN(C)CC1)CC[NH2+]CC2 ZINC000424491134 1194816963 /nfs/dbraw/zinc/81/69/63/1194816963.db2.gz CESPPGFYOCVSPL-QGZVFWFLSA-N 1 3 379.549 0.073 20 0 GCADHO C[C@H]1CC2(CN1C(=O)C(=O)N(C)CCCN1CCN(C)CC1)CC[NH2+]CC2 ZINC000424491133 1194817003 /nfs/dbraw/zinc/81/70/03/1194817003.db2.gz CESPPGFYOCVSPL-KRWDZBQOSA-N 1 3 379.549 0.073 20 0 GCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424543888 1194822746 /nfs/dbraw/zinc/82/27/46/1194822746.db2.gz KHBMVCVWCGFYDO-GBESFXJTSA-N 1 3 386.496 0.214 20 0 GCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414813915 1194829504 /nfs/dbraw/zinc/82/95/04/1194829504.db2.gz UTJFVSOMCXQMIZ-UHFFFAOYSA-N 1 3 387.484 0.241 20 0 GCADHO COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1=O ZINC000425312811 1194907213 /nfs/dbraw/zinc/90/72/13/1194907213.db2.gz HEHKQAMRTBPZGK-SFHVURJKSA-N 1 3 376.501 0.657 20 0 GCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000983372873 1195035706 /nfs/dbraw/zinc/03/57/06/1195035706.db2.gz MPXMQSSKPITFLE-BZZMCLGOSA-N 1 3 391.516 0.662 20 0 GCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000983372873 1195035709 /nfs/dbraw/zinc/03/57/09/1195035709.db2.gz MPXMQSSKPITFLE-BZZMCLGOSA-N 1 3 391.516 0.662 20 0 GCADHO COCCC[N@H+](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000288212551 1195052881 /nfs/dbraw/zinc/05/28/81/1195052881.db2.gz QHXHVJGIGHYQFW-UHFFFAOYSA-N 1 3 396.507 0.800 20 0 GCADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000288212551 1195052882 /nfs/dbraw/zinc/05/28/82/1195052882.db2.gz QHXHVJGIGHYQFW-UHFFFAOYSA-N 1 3 396.507 0.800 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C ZINC000664609546 1195073110 /nfs/dbraw/zinc/07/31/10/1195073110.db2.gz GYUAGLHDNFUQHO-UHFFFAOYSA-N 1 3 378.399 0.329 20 0 GCADHO CN1CCN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC000517020099 1195125371 /nfs/dbraw/zinc/12/53/71/1195125371.db2.gz CLBMYCFKYVZLLT-QGZVFWFLSA-N 1 3 379.549 0.250 20 0 GCADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000517395886 1195178574 /nfs/dbraw/zinc/17/85/74/1195178574.db2.gz UCMNRMUIXFLEOX-WOJBJXKFSA-N 1 3 399.539 0.273 20 0 GCADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)CN1CCN(C)CC1 ZINC000517595977 1195194879 /nfs/dbraw/zinc/19/48/79/1195194879.db2.gz IMYUXYREHYXELH-ZWKOTPCHSA-N 1 3 381.565 0.224 20 0 GCADHO CN1CCC[C@@H]1CNC(=O)C1(CC(=O)NC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC000426434371 1195335430 /nfs/dbraw/zinc/33/54/30/1195335430.db2.gz YEYOOPHIGMTGQN-IAGOWNOFSA-N 1 3 380.533 0.594 20 0 GCADHO CN1CCC[C@@H]1CNC(=O)C1(CC(=O)NC[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000426434371 1195335434 /nfs/dbraw/zinc/33/54/34/1195335434.db2.gz YEYOOPHIGMTGQN-IAGOWNOFSA-N 1 3 380.533 0.594 20 0 GCADHO CN1CCC([NH+]2CCC(NC(=O)NCCCN3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000519353647 1195396029 /nfs/dbraw/zinc/39/60/29/1195396029.db2.gz UDNLEKHCBBDIFJ-SFHVURJKSA-N 1 3 394.564 0.184 20 0 GCADHO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCN3CCCC(C)(C)C3)n2)CC1 ZINC000427403644 1195533974 /nfs/dbraw/zinc/53/39/74/1195533974.db2.gz HHJIZSDSQHXFIR-UHFFFAOYSA-N 1 3 390.532 1.327 20 0 GCADHO CC(=O)Nc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000550303418 1195555816 /nfs/dbraw/zinc/55/58/16/1195555816.db2.gz DLBNXJFCLBICJF-UHFFFAOYSA-N 1 3 377.489 0.213 20 0 GCADHO CN1CCN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000519633201 1195560087 /nfs/dbraw/zinc/56/00/87/1195560087.db2.gz VQEISMHXCLESOE-VQTJNVASSA-N 1 3 388.560 0.650 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000519667678 1195563212 /nfs/dbraw/zinc/56/32/12/1195563212.db2.gz POCJAKTXVAHUEK-RDJZCZTQSA-N 1 3 380.533 0.733 20 0 GCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000519724751 1195565886 /nfs/dbraw/zinc/56/58/86/1195565886.db2.gz TUPBVBRBLKRIPN-LJQANCHMSA-N 1 3 393.576 0.461 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000441018361 1195597349 /nfs/dbraw/zinc/59/73/49/1195597349.db2.gz FZAKEISVLCQANW-KRWDZBQOSA-N 1 3 396.580 0.254 20 0 GCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441018361 1195597353 /nfs/dbraw/zinc/59/73/53/1195597353.db2.gz FZAKEISVLCQANW-KRWDZBQOSA-N 1 3 396.580 0.254 20 0 GCADHO CC(C)Nc1nc(NC[C@H](c2ccccc2Cl)N(C)C)nc(NCCO)[nH+]1 ZINC000550334617 1195635988 /nfs/dbraw/zinc/63/59/88/1195635988.db2.gz RKXUPBNIMPVOKP-OAHLLOKOSA-N 1 3 393.923 0.730 20 0 GCADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000550363421 1195644287 /nfs/dbraw/zinc/64/42/87/1195644287.db2.gz NGPQDQAALOUSTI-UHFFFAOYSA-N 1 3 382.549 0.936 20 0 GCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000550371461 1195646457 /nfs/dbraw/zinc/64/64/57/1195646457.db2.gz AMEAUHICAKDVIM-IBGZPJMESA-N 1 3 393.576 0.602 20 0 GCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCCOCC[NH+](C)C)c2)CC1 ZINC000441857555 1195924645 /nfs/dbraw/zinc/92/46/45/1195924645.db2.gz IHOKEHMWMFUAEA-UHFFFAOYSA-N 1 3 391.516 0.461 20 0 GCADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000443069848 1196018020 /nfs/dbraw/zinc/01/80/20/1196018020.db2.gz KQHNMSNUNQLWEQ-QGZVFWFLSA-N 1 3 394.541 0.580 20 0 GCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550502048 1196059840 /nfs/dbraw/zinc/05/98/40/1196059840.db2.gz HQNRQGPMXIERAZ-UHFFFAOYSA-N 1 3 382.549 0.984 20 0 GCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000114595987 1196106315 /nfs/dbraw/zinc/10/63/15/1196106315.db2.gz MOJNORXRVMXHKD-LJQANCHMSA-N 1 3 383.581 0.796 20 0 GCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000114595987 1196106318 /nfs/dbraw/zinc/10/63/18/1196106318.db2.gz MOJNORXRVMXHKD-LJQANCHMSA-N 1 3 383.581 0.796 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CCN4C(=O)CCC4=O)C[C@H]3C2)CC[N@@H+]1C ZINC001087972017 1196142464 /nfs/dbraw/zinc/14/24/64/1196142464.db2.gz GEIKAKPERGLGIN-VSZNYVQBSA-N 1 3 390.528 0.646 20 0 GCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CCN4C(=O)CCC4=O)C[C@H]3C2)CC[N@H+]1C ZINC001087972017 1196142466 /nfs/dbraw/zinc/14/24/66/1196142466.db2.gz GEIKAKPERGLGIN-VSZNYVQBSA-N 1 3 390.528 0.646 20 0 GCADHO CCN1CCC([NH+]2CCC(C(=O)N[C@H](C)[C@H]3CN(C)CCN3C)CC2)CC1 ZINC000896539741 1196157295 /nfs/dbraw/zinc/15/72/95/1196157295.db2.gz BFTQFCBEJJKVHG-YLJYHZDGSA-N 1 3 379.593 0.933 20 0 GCADHO CC1(C)CCC[N@H+](CCNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000444967591 1196533264 /nfs/dbraw/zinc/53/32/64/1196533264.db2.gz ASFQJMXJIPVRPL-UHFFFAOYSA-N 1 3 383.581 0.798 20 0 GCADHO CC1(C)CCC[N@@H+](CCNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000444967591 1196533266 /nfs/dbraw/zinc/53/32/66/1196533266.db2.gz ASFQJMXJIPVRPL-UHFFFAOYSA-N 1 3 383.581 0.798 20 0 GCADHO CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000445550911 1196579299 /nfs/dbraw/zinc/57/92/99/1196579299.db2.gz QUZASAOJEBIFLD-QGZVFWFLSA-N 1 3 389.544 0.871 20 0 GCADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COC1CC[NH+](C)CC1 ZINC001719903623 1196580455 /nfs/dbraw/zinc/58/04/55/1196580455.db2.gz BCBJFPLWZNKYDG-NXHRZFHOSA-N 1 3 380.533 0.686 20 0 GCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446368044 1196638656 /nfs/dbraw/zinc/63/86/56/1196638656.db2.gz BWWUUIDKTBWFNT-XAUMDUMWSA-N 1 3 380.533 0.578 20 0 GCADHO C[NH+](C)[C@H](CNC(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccccc1 ZINC000429714699 1196692550 /nfs/dbraw/zinc/69/25/50/1196692550.db2.gz HCGKZHPMNBBYSD-FGTMMUONSA-N 1 3 396.557 0.856 20 0 GCADHO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000447436100 1196722256 /nfs/dbraw/zinc/72/22/56/1196722256.db2.gz UDNNFAJKDGQXSK-CVEARBPZSA-N 1 3 393.557 0.800 20 0 GCADHO CCNC(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000526131820 1196743932 /nfs/dbraw/zinc/74/39/32/1196743932.db2.gz WSOCSBXNCCBYHY-UHFFFAOYSA-N 1 3 377.489 0.327 20 0 GCADHO CCC(=O)Nc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000526131933 1196744029 /nfs/dbraw/zinc/74/40/29/1196744029.db2.gz IWCGIFSWKHPRCG-UHFFFAOYSA-N 1 3 377.489 0.925 20 0 GCADHO CC(=O)N1CCc2c1cccc2NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000526131899 1196744282 /nfs/dbraw/zinc/74/42/82/1196744282.db2.gz VRXUYIVWUAHLBJ-UHFFFAOYSA-N 1 3 389.500 0.486 20 0 GCADHO Cc1nnc(-c2ccccc2NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000527124267 1196767239 /nfs/dbraw/zinc/76/72/39/1196767239.db2.gz OWNUEXYSOFZSAY-UHFFFAOYSA-N 1 3 388.472 0.935 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000527374021 1196784200 /nfs/dbraw/zinc/78/42/00/1196784200.db2.gz YEAUVSFNCLXNEJ-UHFFFAOYSA-N 1 3 375.473 0.462 20 0 GCADHO COC(=O)c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000527373737 1196784243 /nfs/dbraw/zinc/78/42/43/1196784243.db2.gz BHWXNQJBNUUTJS-UHFFFAOYSA-N 1 3 382.436 0.503 20 0 GCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000527374075 1196784312 /nfs/dbraw/zinc/78/43/12/1196784312.db2.gz VLVXDLCTOVOUNJ-UHFFFAOYSA-N 1 3 377.489 0.406 20 0 GCADHO COC(=O)Cn1cc(CNCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)nn1 ZINC000449074898 1196852070 /nfs/dbraw/zinc/85/20/70/1196852070.db2.gz LQHQKVYAEXFRKE-IBGZPJMESA-N 1 3 386.500 0.920 20 0 GCADHO COC(=O)Cn1cc(CNCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)nn1 ZINC000449074898 1196852077 /nfs/dbraw/zinc/85/20/77/1196852077.db2.gz LQHQKVYAEXFRKE-IBGZPJMESA-N 1 3 386.500 0.920 20 0 GCADHO CN1CCN(CCNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1(C)C ZINC000529331499 1196916170 /nfs/dbraw/zinc/91/61/70/1196916170.db2.gz SCRONMURVPZSJC-SFHVURJKSA-N 1 3 381.565 0.813 20 0 GCADHO C[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000450482812 1196929595 /nfs/dbraw/zinc/92/95/95/1196929595.db2.gz DDRZGPNZSNPWQP-BKVDDVHTSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000450482812 1196929596 /nfs/dbraw/zinc/92/95/96/1196929596.db2.gz DDRZGPNZSNPWQP-BKVDDVHTSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000450482812 1196929599 /nfs/dbraw/zinc/92/95/99/1196929599.db2.gz DDRZGPNZSNPWQP-BKVDDVHTSA-N 1 3 388.556 0.974 20 0 GCADHO C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000450482812 1196929601 /nfs/dbraw/zinc/92/96/01/1196929601.db2.gz DDRZGPNZSNPWQP-BKVDDVHTSA-N 1 3 388.556 0.974 20 0 GCADHO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC(C)(N3CCOCC3)CC1)C2=O ZINC000530103420 1196962349 /nfs/dbraw/zinc/96/23/49/1196962349.db2.gz GUDSTUPPGFFQRO-UHFFFAOYSA-N 1 3 379.505 0.147 20 0 GCADHO C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000530567125 1196996882 /nfs/dbraw/zinc/99/68/82/1196996882.db2.gz ALBLISOZMVTDLW-OAHLLOKOSA-N 1 3 389.500 0.973 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000170844703 1197271955 /nfs/dbraw/zinc/27/19/55/1197271955.db2.gz GIYROHJNCVMERW-LJQANCHMSA-N 1 3 387.528 0.925 20 0 GCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000170844701 1197272048 /nfs/dbraw/zinc/27/20/48/1197272048.db2.gz GIYROHJNCVMERW-IBGZPJMESA-N 1 3 387.528 0.925 20 0 GCADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000532448049 1197299080 /nfs/dbraw/zinc/29/90/80/1197299080.db2.gz CYDUWPSVTJLGNZ-IAGOWNOFSA-N 1 3 381.546 0.463 20 0 GCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CCN1c1cc[nH+]cc1 ZINC000897474833 1197365610 /nfs/dbraw/zinc/36/56/10/1197365610.db2.gz CMJVLLCOWAUFEM-BEFAXECRSA-N 1 3 391.541 0.672 20 0 GCADHO C[NH+]1CCC(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC000050799696 1197381120 /nfs/dbraw/zinc/38/11/20/1197381120.db2.gz GYDUTVYBRKNBIX-UHFFFAOYSA-N 1 3 386.562 0.333 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000141481214 1197396112 /nfs/dbraw/zinc/39/61/12/1197396112.db2.gz WQIPHCWLYFOQOD-SJLPKXTDSA-N 1 3 377.533 0.951 20 0 GCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000141481214 1197396116 /nfs/dbraw/zinc/39/61/16/1197396116.db2.gz WQIPHCWLYFOQOD-SJLPKXTDSA-N 1 3 377.533 0.951 20 0 GCADHO COCC[NH2+]CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000237168265 1197401271 /nfs/dbraw/zinc/40/12/71/1197401271.db2.gz YFZVRXCXPHYWKJ-SFHVURJKSA-N 1 3 375.517 0.678 20 0 GCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419349999 1197417597 /nfs/dbraw/zinc/41/75/97/1197417597.db2.gz YYJQEDRZZOKMIU-LJQANCHMSA-N 1 3 387.528 0.294 20 0 GCADHO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)CC1 ZINC000532918858 1197421716 /nfs/dbraw/zinc/42/17/16/1197421716.db2.gz IFZIRZCIMZTOOB-GOSISDBHSA-N 1 3 393.576 0.414 20 0 GCADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261767929 1197514317 /nfs/dbraw/zinc/51/43/17/1197514317.db2.gz GJFKVCWXCMSTNQ-OKZBNKHCSA-N 1 3 379.549 0.119 20 0 GCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000542745769 1199020907 /nfs/dbraw/zinc/02/09/07/1199020907.db2.gz ZKPNZNWRZGAJBJ-GOSISDBHSA-N 1 3 383.581 0.748 20 0 GCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000672111576 1199108540 /nfs/dbraw/zinc/10/85/40/1199108540.db2.gz BOZADHBBGAZZFB-IRXDYDNUSA-N 1 3 395.548 0.034 20 0 GCADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656312115 1199167545 /nfs/dbraw/zinc/16/75/45/1199167545.db2.gz SKQAUXPDZAYVBA-ROUUACIJSA-N 1 3 392.544 0.881 20 0 GCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000465921766 1199179589 /nfs/dbraw/zinc/17/95/89/1199179589.db2.gz AECDXLGCWFTROO-IBGZPJMESA-N 1 3 383.581 0.892 20 0 GCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000465921766 1199179591 /nfs/dbraw/zinc/17/95/91/1199179591.db2.gz AECDXLGCWFTROO-IBGZPJMESA-N 1 3 383.581 0.892 20 0 GCADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000465926060 1199183157 /nfs/dbraw/zinc/18/31/57/1199183157.db2.gz HFSBOLYQNNQZFL-MOPGFXCFSA-N 1 3 381.565 0.645 20 0 GCADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000465926060 1199183164 /nfs/dbraw/zinc/18/31/64/1199183164.db2.gz HFSBOLYQNNQZFL-MOPGFXCFSA-N 1 3 381.565 0.645 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465927853 1199185509 /nfs/dbraw/zinc/18/55/09/1199185509.db2.gz QEJRCGUIUADWTG-FQEVSTJZSA-N 1 3 395.592 0.940 20 0 GCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465927853 1199185512 /nfs/dbraw/zinc/18/55/12/1199185512.db2.gz QEJRCGUIUADWTG-FQEVSTJZSA-N 1 3 395.592 0.940 20 0 GCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000672304022 1199197460 /nfs/dbraw/zinc/19/74/60/1199197460.db2.gz FFHPXFAGRZURBL-FUHWJXTLSA-N 1 3 378.517 0.204 20 0 GCADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000672304024 1199198247 /nfs/dbraw/zinc/19/82/47/1199198247.db2.gz FFHPXFAGRZURBL-WMZOPIPTSA-N 1 3 378.517 0.204 20 0 GCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672311917 1199202593 /nfs/dbraw/zinc/20/25/93/1199202593.db2.gz VQLIDFVXQJWAQE-GOSISDBHSA-N 1 3 380.533 0.593 20 0 GCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000465952340 1199217957 /nfs/dbraw/zinc/21/79/57/1199217957.db2.gz OJMPMUNLGJJFFS-GOSISDBHSA-N 1 3 395.548 0.328 20 0 GCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000465952340 1199217961 /nfs/dbraw/zinc/21/79/61/1199217961.db2.gz OJMPMUNLGJJFFS-GOSISDBHSA-N 1 3 395.548 0.328 20 0 GCADHO Cc1nccn1CCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640874 1199297579 /nfs/dbraw/zinc/29/75/79/1199297579.db2.gz LEGIXUHPOGVFIV-KRWDZBQOSA-N 1 3 390.532 0.325 20 0 GCADHO Cc1nccn1CCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640874 1199297582 /nfs/dbraw/zinc/29/75/82/1199297582.db2.gz LEGIXUHPOGVFIV-KRWDZBQOSA-N 1 3 390.532 0.325 20 0 GCADHO CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1C ZINC000672641858 1199304181 /nfs/dbraw/zinc/30/41/81/1199304181.db2.gz YLWKPCNGBDKDNJ-WMZOPIPTSA-N 1 3 379.549 0.070 20 0 GCADHO CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1C ZINC000672641858 1199304185 /nfs/dbraw/zinc/30/41/85/1199304185.db2.gz YLWKPCNGBDKDNJ-WMZOPIPTSA-N 1 3 379.549 0.070 20 0 GCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672655521 1199310306 /nfs/dbraw/zinc/31/03/06/1199310306.db2.gz AMHZSXZLHLACHS-MOPGFXCFSA-N 1 3 393.576 0.606 20 0 GCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672655521 1199310311 /nfs/dbraw/zinc/31/03/11/1199310311.db2.gz AMHZSXZLHLACHS-MOPGFXCFSA-N 1 3 393.576 0.606 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1(C)C ZINC000672854506 1199352088 /nfs/dbraw/zinc/35/20/88/1199352088.db2.gz HLPQLINSUCVOCT-IAGOWNOFSA-N 1 3 379.549 0.071 20 0 GCADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1(C)C ZINC000672854506 1199352095 /nfs/dbraw/zinc/35/20/95/1199352095.db2.gz HLPQLINSUCVOCT-IAGOWNOFSA-N 1 3 379.549 0.071 20 0 GCADHO COC(CNC(=O)CN1[C@H](C)CC[C@@H]1C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000543328411 1199658023 /nfs/dbraw/zinc/65/80/23/1199658023.db2.gz IOVSVVPZIVHVAT-WNKDZCFJSA-N 1 3 382.549 0.979 20 0 GCADHO COC(CNC(=O)CN1[C@H](C)CC[C@@H]1C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000543328411 1199658027 /nfs/dbraw/zinc/65/80/27/1199658027.db2.gz IOVSVVPZIVHVAT-WNKDZCFJSA-N 1 3 382.549 0.979 20 0 GCADHO CO[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000543328406 1199658344 /nfs/dbraw/zinc/65/83/44/1199658344.db2.gz IOVSVVPZIVHVAT-NNPSNHGLSA-N 1 3 382.549 0.979 20 0 GCADHO CO[C@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000543328406 1199658355 /nfs/dbraw/zinc/65/83/55/1199658355.db2.gz IOVSVVPZIVHVAT-NNPSNHGLSA-N 1 3 382.549 0.979 20 0 GCADHO CO[C@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000543328406 1199658360 /nfs/dbraw/zinc/65/83/60/1199658360.db2.gz IOVSVVPZIVHVAT-NNPSNHGLSA-N 1 3 382.549 0.979 20 0 GCADHO CN1CCN(C(=[NH2+])Nc2ncc(C(=O)N3CCC[C@H]3C(N)=O)cc2Cl)CC1 ZINC001168735551 1199879604 /nfs/dbraw/zinc/87/96/04/1199879604.db2.gz BOASYCXIDMRSTB-ZDUSSCGKSA-N 1 3 393.879 0.419 20 0 GCADHO COCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003773 1200409063 /nfs/dbraw/zinc/40/90/63/1200409063.db2.gz GOIYBTDLTROLLS-TVFCKZIOSA-N 1 3 378.521 0.777 20 0 GCADHO COCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003773 1200409071 /nfs/dbraw/zinc/40/90/71/1200409071.db2.gz GOIYBTDLTROLLS-TVFCKZIOSA-N 1 3 378.521 0.777 20 0 GCADHO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000675709784 1200454604 /nfs/dbraw/zinc/45/46/04/1200454604.db2.gz DFAKZSROJQFFOD-QZTJIDSGSA-N 1 3 381.565 0.955 20 0 GCADHO CS(=O)(=O)N1CCN(CCNC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000675817287 1200461654 /nfs/dbraw/zinc/46/16/54/1200461654.db2.gz NLXFKCUHLAPVAE-UHFFFAOYSA-N 1 3 394.585 0.860 20 0 GCADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000676417949 1200557157 /nfs/dbraw/zinc/55/71/57/1200557157.db2.gz KCYPWMYVPQQQAT-LJQANCHMSA-N 1 3 390.528 0.650 20 0 GCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365890735 1200651765 /nfs/dbraw/zinc/65/17/65/1200651765.db2.gz WCIUXPIQQLGRMY-MRXNPFEDSA-N 1 3 377.537 1.297 20 0 GCADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC(=O)Nc3cc(C)on3)CC2)CC1 ZINC000552997920 1200897496 /nfs/dbraw/zinc/89/74/96/1200897496.db2.gz IIDIVJMVOGBICL-UHFFFAOYSA-N 1 3 391.516 1.576 20 0 GCADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)COCC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923290762 1200929249 /nfs/dbraw/zinc/92/92/49/1200929249.db2.gz KVPHFWWPWFRFPK-FZDBZEDMSA-N 1 3 378.517 0.393 20 0 GCADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)COCC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000923290762 1200929255 /nfs/dbraw/zinc/92/92/55/1200929255.db2.gz KVPHFWWPWFRFPK-FZDBZEDMSA-N 1 3 378.517 0.393 20 0 GCADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)COCC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000923290762 1200929258 /nfs/dbraw/zinc/92/92/58/1200929258.db2.gz KVPHFWWPWFRFPK-FZDBZEDMSA-N 1 3 378.517 0.393 20 0 GCADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)COCC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000923290762 1200929260 /nfs/dbraw/zinc/92/92/60/1200929260.db2.gz KVPHFWWPWFRFPK-FZDBZEDMSA-N 1 3 378.517 0.393 20 0 GCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369632793 1201016490 /nfs/dbraw/zinc/01/64/90/1201016490.db2.gz YUGOJZWYGLYMRS-INIZCTEOSA-N 1 3 390.532 1.469 20 0 GCADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC([C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000923504980 1201053298 /nfs/dbraw/zinc/05/32/98/1201053298.db2.gz JEBMKYPFZVIYSO-SFHVURJKSA-N 1 3 393.576 0.321 20 0 GCADHO O=S(=O)(NCCCCN1CCN(Cc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000923592163 1201173209 /nfs/dbraw/zinc/17/32/09/1201173209.db2.gz PCZGQXCRNUSISH-UHFFFAOYSA-N 1 3 395.573 0.324 20 0 GCADHO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000735592350 1201694911 /nfs/dbraw/zinc/69/49/11/1201694911.db2.gz DRKDLSCVCPMQQJ-AEFFLSMTSA-N 1 3 390.484 0.545 20 0 GCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741415824 1201778171 /nfs/dbraw/zinc/77/81/71/1201778171.db2.gz XSLGKMJNYHBLKO-QKNQBKEWSA-N 1 3 388.512 0.786 20 0 GCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741415824 1201778178 /nfs/dbraw/zinc/77/81/78/1201778178.db2.gz XSLGKMJNYHBLKO-QKNQBKEWSA-N 1 3 388.512 0.786 20 0 GCADHO O=C(CN1CC[NH+](CCCCO)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000746484306 1201927062 /nfs/dbraw/zinc/92/70/62/1201927062.db2.gz PKXUCTALGCLPMI-UHFFFAOYSA-N 1 3 396.576 0.528 20 0 GCADHO Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2C[C@H]3CC[C@@H](C2)N3C)S(C)(=O)=O)cn1 ZINC001169130421 1201932758 /nfs/dbraw/zinc/93/27/58/1201932758.db2.gz NXHPEBOVILDPGI-FLXSYLCISA-N 1 3 381.546 0.580 20 0 GCADHO Cn1nccc1CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902769 1202147041 /nfs/dbraw/zinc/14/70/41/1202147041.db2.gz ZQNZBJYAASNBLP-NEWSRXKRSA-N 1 3 375.517 0.795 20 0 GCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001109932177 1202152738 /nfs/dbraw/zinc/15/27/38/1202152738.db2.gz DOGXOGFZCNTPDO-QPSCCSFWSA-N 1 3 381.439 0.990 20 0 GCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001109932177 1202152740 /nfs/dbraw/zinc/15/27/40/1202152740.db2.gz DOGXOGFZCNTPDO-QPSCCSFWSA-N 1 3 381.439 0.990 20 0 GCADHO CN(C)[C@]1(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCSC1 ZINC000788252806 1205417546 /nfs/dbraw/zinc/41/75/46/1205417546.db2.gz QFVJPCZKCPINBU-LPHOPBHVSA-N 1 3 398.573 0.300 20 0 GCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793708619 1205503253 /nfs/dbraw/zinc/50/32/53/1205503253.db2.gz IZGFNAVTFVVUPT-ZWKOTPCHSA-N 1 3 382.549 0.936 20 0 GCADHO C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)N1CCCCC1 ZINC000793699142 1205504265 /nfs/dbraw/zinc/50/42/65/1205504265.db2.gz MKFQTLTZRALRGJ-KRWDZBQOSA-N 1 3 382.549 0.936 20 0 GCADHO C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)N1CCCCC1 ZINC000793699837 1205504430 /nfs/dbraw/zinc/50/44/30/1205504430.db2.gz BKZQVXFOBTVVOY-QGZVFWFLSA-N 1 3 380.533 0.738 20 0 GCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N1CCCCC1 ZINC000793705569 1205504590 /nfs/dbraw/zinc/50/45/90/1205504590.db2.gz FJXHWSKPTBRHRF-GUDVDZBRSA-N 1 3 393.576 0.461 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCCOCC3CC3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129858306 1205521104 /nfs/dbraw/zinc/52/11/04/1205521104.db2.gz VDWXMQWATQYNRW-DDBAPUKQSA-N 1 3 376.505 0.386 20 0 GCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCCOCC3CC3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129858306 1205521105 /nfs/dbraw/zinc/52/11/05/1205521105.db2.gz VDWXMQWATQYNRW-DDBAPUKQSA-N 1 3 376.505 0.386 20 0 GCADHO CNC(=O)Oc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000815596250 1205706840 /nfs/dbraw/zinc/70/68/40/1205706840.db2.gz OQBVVTRODBNPAY-UHFFFAOYSA-N 1 3 379.461 0.295 20 0 GCADHO CN(C)CCN1CCN(C)C2(CC[NH+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC2)C1=O ZINC001172175522 1205713792 /nfs/dbraw/zinc/71/37/92/1205713792.db2.gz SUYVHRVONYCBCY-QZTJIDSGSA-N 1 3 391.560 0.310 20 0 GCADHO COC(=O)[C@H](CN)C[NH2+][C@H]1C[C@@H](C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1 ZINC001172261924 1205715388 /nfs/dbraw/zinc/71/53/88/1205715388.db2.gz ZHQQCJZNYJATLB-WCXIOVBPSA-N 1 3 392.452 0.635 20 0 GCADHO CCN1CC[C@H](N(C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001173363194 1205720163 /nfs/dbraw/zinc/72/01/63/1205720163.db2.gz JOBNSQROQAIGFH-VDZJLULYSA-N 1 3 379.480 0.911 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccon2)[C@@H](O)OC(C)(C)C)C1 ZINC001177516944 1205770964 /nfs/dbraw/zinc/77/09/64/1205770964.db2.gz QNHXQHKCMVUPAB-AHMROAQXSA-N 1 3 398.504 0.513 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccon2)[C@@H](O)OC(C)(C)C)C1 ZINC001177516943 1205771020 /nfs/dbraw/zinc/77/10/20/1205771020.db2.gz QNHXQHKCMVUPAB-ADBDHWBDSA-N 1 3 398.504 0.513 20 0 GCADHO CN1CCN(CC(=O)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)CC1 ZINC001178947956 1205797230 /nfs/dbraw/zinc/79/72/30/1205797230.db2.gz DNGCMSGSYWDPKD-TZIWHRDSSA-N 1 3 393.576 0.021 20 0 GCADHO Cc1ccc(N(C(=O)C2(O)CCN(C)CC2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001182032909 1205854063 /nfs/dbraw/zinc/85/40/63/1205854063.db2.gz VZCJJRUCEGLFPW-APWZRJJASA-N 1 3 389.500 0.486 20 0 GCADHO CC(C)[C@H](C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1)N(C)C ZINC001183360347 1205891387 /nfs/dbraw/zinc/89/13/87/1205891387.db2.gz NVGQJFCJGMBJLQ-IEBWSBKVSA-N 1 3 392.548 0.940 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001187742750 1205968384 /nfs/dbraw/zinc/96/83/84/1205968384.db2.gz VOJRBOZJXDPCFD-WVXQGFRLSA-N 1 3 383.493 0.319 20 0 GCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ccc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001188582733 1205988017 /nfs/dbraw/zinc/98/80/17/1205988017.db2.gz XFUIWFIIIFEWBE-WSLKZVHASA-N 1 3 382.505 0.924 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ccc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001188582731 1205988048 /nfs/dbraw/zinc/98/80/48/1205988048.db2.gz XFUIWFIIIFEWBE-RQFGQTSKSA-N 1 3 382.505 0.924 20 0 GCADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCCCC1 ZINC000775220892 1205995502 /nfs/dbraw/zinc/99/55/02/1205995502.db2.gz CTDVBNCIFZHCPU-IAGOWNOFSA-N 1 3 380.533 0.737 20 0 GCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001189552657 1206009693 /nfs/dbraw/zinc/00/96/93/1206009693.db2.gz VDFJYVVWBSFYHP-WLCUGFDKSA-N 1 3 399.492 0.025 20 0 GCADHO CCN1CCN(Cc2ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc2)CC1 ZINC001190867059 1206049439 /nfs/dbraw/zinc/04/94/39/1206049439.db2.gz VSBSIDXLGYJUQQ-UHFFFAOYSA-N 1 3 393.492 0.102 20 0 GCADHO