smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CC[C@@H]([NH3+])[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955188 538900328 /nfs/dbraw/zinc/90/03/28/538900328.db2.gz VRJQPRHZDHCKMB-WRWGMCAJSA-N 1 3 212.337 1.366 10 0 BDAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1[C@H]1CCSC1 ZINC000252126588 398185597 /nfs/dbraw/zinc/18/55/97/398185597.db2.gz LMKTYNGITJBRKS-UTLUCORTSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1[C@H]1CCSC1 ZINC000252126588 398185598 /nfs/dbraw/zinc/18/55/98/398185598.db2.gz LMKTYNGITJBRKS-UTLUCORTSA-N 1 3 200.351 1.161 10 0 BDAEHO COC(C)(C)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000159220665 349756859 /nfs/dbraw/zinc/75/68/59/349756859.db2.gz SEQKNTNBLZLMAD-NXEZZACHSA-N 1 3 200.326 1.223 10 0 BDAEHO CC(C)N(CCO)Cc1ccc(C(N)=[NH2+])cc1 ZINC000042479664 187265824 /nfs/dbraw/zinc/26/58/24/187265824.db2.gz FAHYOWQXVPRFQM-UHFFFAOYSA-N 1 3 235.331 1.173 10 0 BDAEHO COC(C)(C)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000159221073 349828861 /nfs/dbraw/zinc/82/88/61/349828861.db2.gz SEQKNTNBLZLMAD-UWVGGRQHSA-N 1 3 200.326 1.223 10 0 BDAEHO C[N@H+]([C@H]1CCSC1)C1CCNCC1 ZINC000043501204 343780833 /nfs/dbraw/zinc/78/08/33/343780833.db2.gz RNWKFQHQUFJJKZ-JTQLQIEISA-N 1 3 200.351 1.176 10 0 BDAEHO C[N@@H+]([C@H]1CCSC1)C1CCNCC1 ZINC000043501204 343780835 /nfs/dbraw/zinc/78/08/35/343780835.db2.gz RNWKFQHQUFJJKZ-JTQLQIEISA-N 1 3 200.351 1.176 10 0 BDAEHO CN([C@H]1CCSC1)C1CC[NH2+]CC1 ZINC000043501204 343780837 /nfs/dbraw/zinc/78/08/37/343780837.db2.gz RNWKFQHQUFJJKZ-JTQLQIEISA-N 1 3 200.351 1.176 10 0 BDAEHO CCOC[C@H]1CCCC[N@@H+]1C1CCNCC1 ZINC000313284370 343791474 /nfs/dbraw/zinc/79/14/74/343791474.db2.gz FGCHTTMKOQIXHV-CYBMUJFWSA-N 1 3 226.364 1.629 10 0 BDAEHO CCOC[C@H]1CCCC[N@H+]1C1CCNCC1 ZINC000313284370 343791476 /nfs/dbraw/zinc/79/14/76/343791476.db2.gz FGCHTTMKOQIXHV-CYBMUJFWSA-N 1 3 226.364 1.629 10 0 BDAEHO CCOC[C@H]1CCCCN1C1CC[NH2+]CC1 ZINC000313284370 343791477 /nfs/dbraw/zinc/79/14/77/343791477.db2.gz FGCHTTMKOQIXHV-CYBMUJFWSA-N 1 3 226.364 1.629 10 0 BDAEHO CCCC1(CN2CCOC[C@H]2C)CC[NH2+]CC1 ZINC000062850682 187274056 /nfs/dbraw/zinc/27/40/56/187274056.db2.gz YOGIWDKKZYHHPN-CYBMUJFWSA-N 1 3 240.391 1.877 10 0 BDAEHO CCOCC1CCN(CCC[NH3+])CC1 ZINC000409424024 343816905 /nfs/dbraw/zinc/81/69/05/343816905.db2.gz AZWUEBAMOWTKPW-UHFFFAOYSA-N 1 3 200.326 1.084 10 0 BDAEHO CC(C)N1CCO[C@@H](C2CC[NH2+]CC2)C1 ZINC000409431854 343823056 /nfs/dbraw/zinc/82/30/56/343823056.db2.gz LMBHRXWIOLQLCK-GFCCVEGCSA-N 1 3 212.337 1.095 10 0 BDAEHO CS[C@@H]1CCC[C@H]1[NH2+]C1CC(N)C1 ZINC000235268554 344864967 /nfs/dbraw/zinc/86/49/67/344864967.db2.gz ZHAAROBWYUVSAF-YDYPAMBWSA-N 1 3 200.351 1.350 10 0 BDAEHO CS[C@@H]1CCC[C@H]1NC1CC([NH3+])C1 ZINC000235268554 344864971 /nfs/dbraw/zinc/86/49/71/344864971.db2.gz ZHAAROBWYUVSAF-YDYPAMBWSA-N 1 3 200.351 1.350 10 0 BDAEHO C[C@H]1SCC[C@H]1N1CCC([NH3+])CC1 ZINC000235647123 344966010 /nfs/dbraw/zinc/96/60/10/344966010.db2.gz JJOWZEARAYCREZ-PSASIEDQSA-N 1 3 200.351 1.304 10 0 BDAEHO CCC[C@@H](CCO)[NH2+][C@H]1CCCNCC1 ZINC000635003029 345205625 /nfs/dbraw/zinc/20/56/25/345205625.db2.gz FBDFBXGNLQJUTD-RYUDHWBXSA-N 1 3 214.353 1.269 10 0 BDAEHO CC[NH+](CC)CCN1CCN2CCCC[C@H]2C1 ZINC000142382540 345705344 /nfs/dbraw/zinc/70/53/44/345705344.db2.gz WOQAWIICTLUYLZ-AWEZNQCLSA-N 1 3 239.407 1.498 10 0 BDAEHO CNc1cc(NCCC[NH+](C)C)nc(C)n1 ZINC000087808295 345942235 /nfs/dbraw/zinc/94/22/35/345942235.db2.gz QKMQCDKPGUOPPF-UHFFFAOYSA-N 1 3 223.324 1.190 10 0 BDAEHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000563434074 323125283 /nfs/dbraw/zinc/12/52/83/323125283.db2.gz UZNIWKDFHOQWIM-AAVRWANBSA-N 1 3 240.391 1.752 10 0 BDAEHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCCC[C@H]2O)C1 ZINC000563434074 323125284 /nfs/dbraw/zinc/12/52/84/323125284.db2.gz UZNIWKDFHOQWIM-AAVRWANBSA-N 1 3 240.391 1.752 10 0 BDAEHO [NH3+]CCNCc1ccc(CN2CCCCC2)o1 ZINC000038525134 347165205 /nfs/dbraw/zinc/16/52/05/347165205.db2.gz BVLCIEXDCSICGJ-UHFFFAOYSA-N 1 3 237.347 1.314 10 0 BDAEHO C[C@H](CN[C@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000390644070 259396438 /nfs/dbraw/zinc/39/64/38/259396438.db2.gz LSBYSHRGHQETBZ-HIFRSBDPSA-N 1 3 247.386 1.458 10 0 BDAEHO C[C@@H](NCCc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000577267872 365908153 /nfs/dbraw/zinc/90/81/53/365908153.db2.gz PDKAGVVSBVSGFF-CHWSQXEVSA-N 1 3 233.359 1.602 10 0 BDAEHO CSCCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000591567838 347671130 /nfs/dbraw/zinc/67/11/30/347671130.db2.gz VWWHJLHAHHMCDG-VHSXEESVSA-N 1 3 202.367 1.327 10 0 BDAEHO CSCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000591567838 347671132 /nfs/dbraw/zinc/67/11/32/347671132.db2.gz VWWHJLHAHHMCDG-VHSXEESVSA-N 1 3 202.367 1.327 10 0 BDAEHO CC1(C)CNCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000300846952 362930334 /nfs/dbraw/zinc/93/03/34/362930334.db2.gz NDLRDGOZXYOSFA-VHSXEESVSA-N 1 3 214.378 1.470 10 0 BDAEHO CC1(C)C[NH2+]CC[C@H]1N[C@H]1CCSC1 ZINC000300846952 362930338 /nfs/dbraw/zinc/93/03/38/362930338.db2.gz NDLRDGOZXYOSFA-VHSXEESVSA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@@H]1CSC[C@@H]1N1CCC([NH3+])CC1 ZINC000306675864 350827076 /nfs/dbraw/zinc/82/70/76/350827076.db2.gz UOLXGELMBXLQKQ-SCZZXKLOSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1CSC[C@H]1N1CCC([NH3+])CC1 ZINC000306675863 350827174 /nfs/dbraw/zinc/82/71/74/350827174.db2.gz UOLXGELMBXLQKQ-PSASIEDQSA-N 1 3 200.351 1.161 10 0 BDAEHO [NH3+]CCNCCCOCc1ccccc1 ZINC000306735205 350906256 /nfs/dbraw/zinc/90/62/56/350906256.db2.gz VZFBKWGASOHWAT-UHFFFAOYSA-N 1 3 208.305 1.142 10 0 BDAEHO COC1(C)CC[NH+]([C@H](C)[C@H](C)N)CC1 ZINC000306803350 351057976 /nfs/dbraw/zinc/05/79/76/351057976.db2.gz AHENBRRGQBGHPT-VHSXEESVSA-N 1 3 200.326 1.223 10 0 BDAEHO [NH3+]CCN1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000616653787 351194772 /nfs/dbraw/zinc/19/47/72/351194772.db2.gz JVQAAPAKSKOJQS-GFCCVEGCSA-N 1 3 239.750 1.245 10 0 BDAEHO C[C@@H]1SCC[C@H]1N(C)C1CC([NH3+])C1 ZINC000307245274 351753251 /nfs/dbraw/zinc/75/32/51/351753251.db2.gz MBGQGVJQQGZIQM-AUXWQGHOSA-N 1 3 200.351 1.302 10 0 BDAEHO C[C@H]1CSC[C@H]1N(C)C1CC([NH3+])C1 ZINC000307245317 351753495 /nfs/dbraw/zinc/75/34/95/351753495.db2.gz VQHOPXYJRQQHJT-AUXWQGHOSA-N 1 3 200.351 1.159 10 0 BDAEHO FC1(F)CC[C@H](NC[C@H]2CC[NH2+]C2)C1 ZINC000307286740 351849960 /nfs/dbraw/zinc/84/99/60/351849960.db2.gz RWTRBGHJNHBQJO-IUCAKERBSA-N 1 3 204.264 1.373 10 0 BDAEHO [NH3+][C@@H]1CC[C@@H](N2CCCSCC2)C1 ZINC000223138683 353139512 /nfs/dbraw/zinc/13/95/12/353139512.db2.gz LXKAUAPCSIRLKR-NXEZZACHSA-N 1 3 200.351 1.305 10 0 BDAEHO COC(C)(C)[C@H](C)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000301039093 363358438 /nfs/dbraw/zinc/35/84/38/363358438.db2.gz YLUAWSJQJYKHQJ-UTLUCORTSA-N 1 3 200.326 1.079 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)[C@H]1CCCOC1 ZINC000389066040 355582363 /nfs/dbraw/zinc/58/23/63/355582363.db2.gz LIVYDOOPFSYCAW-QNWHQSFQSA-N 1 3 226.364 1.519 10 0 BDAEHO CCCCOCCN[C@@H]1CCC[NH2+]CC1 ZINC000168734216 535313606 /nfs/dbraw/zinc/31/36/06/535313606.db2.gz AQDYAVRKHGIUAN-GFCCVEGCSA-N 1 3 214.353 1.535 10 0 BDAEHO CN(C[C@@H](O)c1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000675059037 538483399 /nfs/dbraw/zinc/48/33/99/538483399.db2.gz HTGDJQAMSFMKCW-OAHLLOKOSA-N 1 3 246.354 1.460 10 0 BDAEHO C[C@H]1CCCN(Cc2c(C[NH3+])cnn2C)[C@H]1C ZINC000675056007 538477028 /nfs/dbraw/zinc/47/70/28/538477028.db2.gz HTNHSNVMARDLHZ-QWRGUYRKSA-N 1 3 236.363 1.499 10 0 BDAEHO O[C@H](CN1CCC1)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059867 538486127 /nfs/dbraw/zinc/48/61/27/538486127.db2.gz WUMWWDNRZAAKGV-CQSZACIVSA-N 1 3 232.327 1.071 10 0 BDAEHO C[C@H]1C[C@H](C2=C[C@@H]([NH3+])CNC2)C[C@@H](C)C1 ZINC000675077240 538512706 /nfs/dbraw/zinc/51/27/06/538512706.db2.gz BIKUCAGSYDWBIH-MPPDQPJWSA-N 1 3 208.349 1.916 10 0 BDAEHO C[C@@H](NCCc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC000582480704 357316634 /nfs/dbraw/zinc/31/66/34/357316634.db2.gz QRGBEMHHAOBOSG-OCCSQVGLSA-N 1 3 233.359 1.602 10 0 BDAEHO C[C@@H]([NH2+]CCc1cccnc1)[C@H]1CCCNC1 ZINC000582480704 357316639 /nfs/dbraw/zinc/31/66/39/357316639.db2.gz QRGBEMHHAOBOSG-OCCSQVGLSA-N 1 3 233.359 1.602 10 0 BDAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+]1CCCO[C@H](C)C1 ZINC000685951791 538895461 /nfs/dbraw/zinc/89/54/61/538895461.db2.gz YPAMEBWHTJDONY-IJLUTSLNSA-N 1 3 226.364 1.341 10 0 BDAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+]1CCCO[C@H](C)C1 ZINC000685951791 538895462 /nfs/dbraw/zinc/89/54/62/538895462.db2.gz YPAMEBWHTJDONY-IJLUTSLNSA-N 1 3 226.364 1.341 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@@H](C)C1N1CCCO[C@H](C)C1 ZINC000685951791 538895463 /nfs/dbraw/zinc/89/54/63/538895463.db2.gz YPAMEBWHTJDONY-IJLUTSLNSA-N 1 3 226.364 1.341 10 0 BDAEHO C[C@@H](NCCOCC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000578314078 366497038 /nfs/dbraw/zinc/49/70/38/366497038.db2.gz ZQZFKXHTBIIARD-NXEZZACHSA-N 1 3 236.306 1.246 10 0 BDAEHO C[C@@H]([NH2+]CCOCC(F)F)[C@@H]1CCCNC1 ZINC000578314078 366497042 /nfs/dbraw/zinc/49/70/42/366497042.db2.gz ZQZFKXHTBIIARD-NXEZZACHSA-N 1 3 236.306 1.246 10 0 BDAEHO C[C@@H]1SCC[C@@H]1N1CCC[C@H]1C[NH3+] ZINC000300351475 358970745 /nfs/dbraw/zinc/97/07/45/358970745.db2.gz ANSQGVABADWSBS-GUBZILKMSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1[C@@H]([NH3+])CCN(CCC(F)F)[C@H]1C ZINC000306219527 359338326 /nfs/dbraw/zinc/33/83/26/359338326.db2.gz MXWGVILITJHOEH-CIUDSAMLSA-N 1 3 206.280 1.699 10 0 BDAEHO Cc1c(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cnn1C ZINC000093649995 360266721 /nfs/dbraw/zinc/26/67/21/360266721.db2.gz ZZYDMMPNEDRDPU-LBPRGKRZSA-N 1 3 248.374 1.302 10 0 BDAEHO CSC1CCN([C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000300809342 360513821 /nfs/dbraw/zinc/51/38/21/360513821.db2.gz GWQGXPMEDFEQFB-ZJUUUORDSA-N 1 3 214.378 1.694 10 0 BDAEHO CSC1CCN([C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000300809339 360513847 /nfs/dbraw/zinc/51/38/47/360513847.db2.gz GWQGXPMEDFEQFB-VHSXEESVSA-N 1 3 214.378 1.694 10 0 BDAEHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000579227551 366737875 /nfs/dbraw/zinc/73/78/75/366737875.db2.gz OXTRFMRFUNNBCV-STQMWFEESA-N 1 3 242.407 1.715 10 0 BDAEHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)C(C)(C)C)C1 ZINC000579227551 366737880 /nfs/dbraw/zinc/73/78/80/366737880.db2.gz OXTRFMRFUNNBCV-STQMWFEESA-N 1 3 242.407 1.715 10 0 BDAEHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)C(C)(C)C)C1 ZINC000579227551 366737889 /nfs/dbraw/zinc/73/78/89/366737889.db2.gz OXTRFMRFUNNBCV-STQMWFEESA-N 1 3 242.407 1.715 10 0 BDAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCc1cccnc1 ZINC000054628349 181344977 /nfs/dbraw/zinc/34/49/77/181344977.db2.gz KOGYBKOGRMDPPW-AGUYFDCRSA-N 1 3 231.343 1.578 10 0 BDAEHO C[C@H](C[NH3+])[C@@H](C)N1CCSC[C@H]1C ZINC000252610160 364016229 /nfs/dbraw/zinc/01/62/29/364016229.db2.gz ULTHJTTVIOSKEX-OPRDCNLKSA-N 1 3 202.367 1.407 10 0 BDAEHO CO[C@H]1CN(CC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630365886 364083695 /nfs/dbraw/zinc/08/36/95/364083695.db2.gz WQTXSQJQBQMOJH-NEPJUHHUSA-N 1 3 212.337 1.225 10 0 BDAEHO C[C@@]1([NH3+])CC=C(c2ccc(CN)c(F)n2)CC1 ZINC000725271717 541339981 /nfs/dbraw/zinc/33/99/81/541339981.db2.gz AYJWFRCPNCDZEA-CYBMUJFWSA-N 1 3 235.306 1.964 10 0 BDAEHO [NH3+]CCNC1CC(c2ccc(F)cc2)C1 ZINC000037712818 181397214 /nfs/dbraw/zinc/39/72/14/181397214.db2.gz PGODUORJRPJZCT-UHFFFAOYSA-N 1 3 208.280 1.620 10 0 BDAEHO CO[C@@H]([C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1)C1CC1 ZINC000579822394 367023334 /nfs/dbraw/zinc/02/33/34/367023334.db2.gz GVKHLIROASEFIM-XWUBHJNHSA-N 1 3 240.391 1.778 10 0 BDAEHO CO[C@@H]([C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000579822394 367023341 /nfs/dbraw/zinc/02/33/41/367023341.db2.gz GVKHLIROASEFIM-XWUBHJNHSA-N 1 3 240.391 1.778 10 0 BDAEHO CC(C)NC(=[NH2+])NC(=N)Nc1ccccc1 ZINC000114357190 368936824 /nfs/dbraw/zinc/93/68/24/368936824.db2.gz MBJBAEJPGXZCJH-UHFFFAOYSA-N 1 3 219.292 1.556 10 0 BDAEHO CO[C@H](CN1C[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000631836830 369085023 /nfs/dbraw/zinc/08/50/23/369085023.db2.gz HQWKNAMIYXMLGD-AEGPPILISA-N 1 3 248.370 1.901 10 0 BDAEHO C[C@H](C[NH3+])CN1C[C@H](C)S[C@@H](C)C1 ZINC000226666456 371719888 /nfs/dbraw/zinc/71/98/88/371719888.db2.gz KMWLBKCETIWCFR-UTLUCORTSA-N 1 3 202.367 1.407 10 0 BDAEHO C[C@H]1CSCC[N@@H+](C2CCNCC2)C1 ZINC000306599577 372043249 /nfs/dbraw/zinc/04/32/49/372043249.db2.gz RUHOUDHOECJSIM-SNVBAGLBSA-N 1 3 214.378 1.423 10 0 BDAEHO C[C@H]1CSCC[N@H+](C2CCNCC2)C1 ZINC000306599577 372043254 /nfs/dbraw/zinc/04/32/54/372043254.db2.gz RUHOUDHOECJSIM-SNVBAGLBSA-N 1 3 214.378 1.423 10 0 BDAEHO C[C@H]1CSCCN(C2CC[NH2+]CC2)C1 ZINC000306599577 372043258 /nfs/dbraw/zinc/04/32/58/372043258.db2.gz RUHOUDHOECJSIM-SNVBAGLBSA-N 1 3 214.378 1.423 10 0 BDAEHO C([NH2+][C@@H]1CCCNCC1)[C@@H]1CCSC1 ZINC000228555303 372047414 /nfs/dbraw/zinc/04/74/14/372047414.db2.gz WXOCJGMGMVHACD-WDEREUQCSA-N 1 3 214.378 1.471 10 0 BDAEHO CCC[NH+]1CCC(NC2=NCCS2)CC1 ZINC000049559138 169188304 /nfs/dbraw/zinc/18/83/04/169188304.db2.gz RGZKELMSIFBKTI-UHFFFAOYSA-N 1 3 227.377 1.553 10 0 BDAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+][C@@H](CC)CO)C1 ZINC000037221576 169194402 /nfs/dbraw/zinc/19/44/02/169194402.db2.gz XPKNHYOJXLTQIX-MCIONIFRSA-N 1 3 242.407 1.857 10 0 BDAEHO CCC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H](CC)CO)C1 ZINC000037221576 169194404 /nfs/dbraw/zinc/19/44/04/169194404.db2.gz XPKNHYOJXLTQIX-MCIONIFRSA-N 1 3 242.407 1.857 10 0 BDAEHO CCC[N@H+]1CCC[C@@H]([C@@H](C)N[C@@H](CC)CO)C1 ZINC000037221576 169194406 /nfs/dbraw/zinc/19/44/06/169194406.db2.gz XPKNHYOJXLTQIX-MCIONIFRSA-N 1 3 242.407 1.857 10 0 BDAEHO CCCN1CCN(CCCCCCC[NH3+])CC1 ZINC000020073821 169202417 /nfs/dbraw/zinc/20/24/17/169202417.db2.gz UPCWTFUVHOZDHU-UHFFFAOYSA-N 1 3 241.423 1.923 10 0 BDAEHO CCCN1CCN(CC(C)(C)[NH2+]C)CC1 ZINC000061319501 169203397 /nfs/dbraw/zinc/20/33/97/169203397.db2.gz QAIISFZSSKNAOI-UHFFFAOYSA-N 1 3 213.369 1.012 10 0 BDAEHO CCCN1CCN(C[C@]2(CC)CC[NH2+]C2)CC1 ZINC000062910950 169203904 /nfs/dbraw/zinc/20/39/04/169203904.db2.gz VMNFFISAHVGMTQ-CQSZACIVSA-N 1 3 239.407 1.404 10 0 BDAEHO CCC[NH2+]CCCN1CCN([C@H](C)CC)CC1 ZINC000055069217 169257660 /nfs/dbraw/zinc/25/76/60/169257660.db2.gz LLKPEOCGIDCZGE-CQSZACIVSA-N 1 3 241.423 1.792 10 0 BDAEHO CCC[NH2+]CCN(C)C1CCN(C)CC1 ZINC000044380328 169258382 /nfs/dbraw/zinc/25/83/82/169258382.db2.gz BUDVTMLNPFXYLI-UHFFFAOYSA-N 1 3 213.369 1.012 10 0 BDAEHO CCC[NH2+]C[C@@H](CC)N1CCN(C)C(C)(C)C1 ZINC000104131409 169263004 /nfs/dbraw/zinc/26/30/04/169263004.db2.gz OEFPQVWOQCLLFE-CYBMUJFWSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+]C[C@@H]1CCN([C@@H](C)[C@@H]2CCCO2)C1 ZINC000053031166 169262147 /nfs/dbraw/zinc/26/21/47/169262147.db2.gz VODDZMXKMMNWLM-IHRRRGAJSA-N 1 3 240.391 1.875 10 0 BDAEHO CCC[NH2+]C[C@H](CC)N1CCN(C)C(C)(C)C1 ZINC000104131414 169263348 /nfs/dbraw/zinc/26/33/48/169263348.db2.gz OEFPQVWOQCLLFE-ZDUSSCGKSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+]C[C@H](CC)N1CCN(C(C)C)CC1 ZINC000052479990 169263784 /nfs/dbraw/zinc/26/37/84/169263784.db2.gz GNNSANJDBZZSRV-AWEZNQCLSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[C@@H]([NH3+])CN1CCN(C2CCCC2)CC1 ZINC000052061479 169393140 /nfs/dbraw/zinc/39/31/40/169393140.db2.gz NZGOFNAISOGRRC-CYBMUJFWSA-N 1 3 239.407 1.674 10 0 BDAEHO O=C(CNCC1CC[NH2+]CC1)c1cccs1 ZINC000095072817 384344869 /nfs/dbraw/zinc/34/48/69/384344869.db2.gz FRIGEYIKMSUMDU-UHFFFAOYSA-N 1 3 238.356 1.520 10 0 BDAEHO NC[C@H]1CC[N@@H+](C2CCSCC2)C1 ZINC000050245540 384608628 /nfs/dbraw/zinc/60/86/28/384608628.db2.gz QAFCTUSMHXOKLU-SECBINFHSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@H]1CC[N@H+](C2CCSCC2)C1 ZINC000050245540 384608634 /nfs/dbraw/zinc/60/86/34/384608634.db2.gz QAFCTUSMHXOKLU-SECBINFHSA-N 1 3 200.351 1.163 10 0 BDAEHO C[NH+](C)CCn1cccc1[C@@H](N)[C@@H]1CCCO1 ZINC000011848803 384623602 /nfs/dbraw/zinc/62/36/02/384623602.db2.gz LFSUZAFAKHQISJ-QWHCGFSZSA-N 1 3 237.347 1.229 10 0 BDAEHO CO[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)CC1 ZINC000647538425 384666821 /nfs/dbraw/zinc/66/68/21/384666821.db2.gz RCPNLTSOEXQKGK-OLZOCXBDSA-N 1 3 226.364 1.487 10 0 BDAEHO CO[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)CC1 ZINC000647538425 384666824 /nfs/dbraw/zinc/66/68/24/384666824.db2.gz RCPNLTSOEXQKGK-OLZOCXBDSA-N 1 3 226.364 1.487 10 0 BDAEHO COC[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)C1CC1 ZINC000397254890 385415881 /nfs/dbraw/zinc/41/58/81/385415881.db2.gz QQLGEFZSLOLMNT-UTUOFQBUSA-N 1 3 212.337 1.128 10 0 BDAEHO CCCC(CCC)[NH2+]C[C@H]1CNC[C@@H]1O ZINC000336692017 385730918 /nfs/dbraw/zinc/73/09/18/385730918.db2.gz XFCDSVAMGWKRQU-PWSUYJOCSA-N 1 3 214.353 1.125 10 0 BDAEHO CCCC(CCC)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000336692017 385730921 /nfs/dbraw/zinc/73/09/21/385730921.db2.gz XFCDSVAMGWKRQU-PWSUYJOCSA-N 1 3 214.353 1.125 10 0 BDAEHO FC1(F)CCC[C@H](C[NH2+][C@H]2CCNC2)C1 ZINC000334787606 386849750 /nfs/dbraw/zinc/84/97/50/386849750.db2.gz XCLWPJWHOFZYAK-UWVGGRQHSA-N 1 3 218.291 1.763 10 0 BDAEHO CO[C@H](C)CC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000643464089 387356823 /nfs/dbraw/zinc/35/68/23/387356823.db2.gz SOWILKAIHXIRLU-UTUOFQBUSA-N 1 3 214.353 1.389 10 0 BDAEHO C[C@@H](NC[C@H]1CC[C@@H](C)O1)[C@@H]1CCC[NH2+]C1 ZINC000516016505 387448113 /nfs/dbraw/zinc/44/81/13/387448113.db2.gz DMGIMSWPQGQJDT-FDYHWXHSSA-N 1 3 226.364 1.532 10 0 BDAEHO [NH3+][C@H]1CCN([C@H]2CCCSCC2)C1 ZINC000575513255 387385775 /nfs/dbraw/zinc/38/57/75/387385775.db2.gz HMCOSQFOOUKMLN-UWVGGRQHSA-N 1 3 200.351 1.305 10 0 BDAEHO C[C@H](N[C@H]1CCCOC1)[C@H]1CCC[NH2+]C1 ZINC000520792903 387544864 /nfs/dbraw/zinc/54/48/64/387544864.db2.gz WCNDTPWLQGLLQD-SRVKXCTJSA-N 1 3 212.337 1.143 10 0 BDAEHO Cc1ccc2nccc(N(C)CC[NH3+])c2c1 ZINC000212069562 387682162 /nfs/dbraw/zinc/68/21/62/387682162.db2.gz UXMJJNUCCYBBAS-UHFFFAOYSA-N 1 3 215.300 1.938 10 0 BDAEHO c1ccc(CCC[NH2+][C@H]2CCCNCC2)nc1 ZINC000422996558 387803612 /nfs/dbraw/zinc/80/36/12/387803612.db2.gz MMSVQGBIKMEFRT-AWEZNQCLSA-N 1 3 233.359 1.746 10 0 BDAEHO c1ccc(CCCN[C@H]2CCC[NH2+]CC2)nc1 ZINC000422996558 387803615 /nfs/dbraw/zinc/80/36/15/387803615.db2.gz MMSVQGBIKMEFRT-AWEZNQCLSA-N 1 3 233.359 1.746 10 0 BDAEHO C[C@H](NCCN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643459131 387832054 /nfs/dbraw/zinc/83/20/54/387832054.db2.gz BCVANIZKEUJYAX-UONOGXRCSA-N 1 3 239.407 1.450 10 0 BDAEHO C(C[NH2+][C@@H]1CCNC1)C[C@@H]1CCCCO1 ZINC000423035446 387850482 /nfs/dbraw/zinc/85/04/82/387850482.db2.gz JMQOXNJUHGTQBC-NEPJUHHUSA-N 1 3 212.337 1.287 10 0 BDAEHO CN1CCC[C@@H]2C[N@@H+](C3CCC3)CC[C@H]21 ZINC000245584703 387963191 /nfs/dbraw/zinc/96/31/91/387963191.db2.gz DAHQLXBLVVDNQD-DGCLKSJQSA-N 1 3 208.349 1.955 10 0 BDAEHO CN1CCC[C@@H]2C[N@H+](C3CCC3)CC[C@H]21 ZINC000245584703 387963192 /nfs/dbraw/zinc/96/31/92/387963192.db2.gz DAHQLXBLVVDNQD-DGCLKSJQSA-N 1 3 208.349 1.955 10 0 BDAEHO C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400367483 388370494 /nfs/dbraw/zinc/37/04/94/388370494.db2.gz FRVPZUKHAKSHJS-GCHJQGSQSA-N 1 3 212.337 1.140 10 0 BDAEHO CC(C)(CO)CCC[NH2+][C@@H]1CCCNCC1 ZINC000393404232 388428318 /nfs/dbraw/zinc/42/83/18/388428318.db2.gz SMZNJGCUYSVNLX-GFCCVEGCSA-N 1 3 228.380 1.517 10 0 BDAEHO CC(C)(CO)CCC[NH2+][C@H]1CCCNCC1 ZINC000393404234 388428750 /nfs/dbraw/zinc/42/87/50/388428750.db2.gz SMZNJGCUYSVNLX-LBPRGKRZSA-N 1 3 228.380 1.517 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000530224373 388634064 /nfs/dbraw/zinc/63/40/64/388634064.db2.gz LVTWJOKFUZNQIK-KIJLLGNVSA-N 1 3 226.364 1.530 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000530224373 388634065 /nfs/dbraw/zinc/63/40/65/388634065.db2.gz LVTWJOKFUZNQIK-KIJLLGNVSA-N 1 3 226.364 1.530 10 0 BDAEHO C[C@@H]1CN(CC2CSC2)CC[C@H]1[NH3+] ZINC000575488492 388880384 /nfs/dbraw/zinc/88/03/84/388880384.db2.gz SMDQROCNKRCAIN-PSASIEDQSA-N 1 3 200.351 1.019 10 0 BDAEHO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@@H]1CCCNC1 ZINC000564825726 388891222 /nfs/dbraw/zinc/89/12/22/388891222.db2.gz DRQSVHQVAFJMMA-YNEHKIRRSA-N 1 3 242.407 1.761 10 0 BDAEHO CCC[C@H](CCO)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000565769200 388967592 /nfs/dbraw/zinc/96/75/92/388967592.db2.gz QUPCGDVJTGLLLK-BFHYXJOUSA-N 1 3 242.407 1.763 10 0 BDAEHO CC[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)OC ZINC000566004106 388981656 /nfs/dbraw/zinc/98/16/56/388981656.db2.gz QZZYNZAZLONXKP-QJPTWQEYSA-N 1 3 214.353 1.389 10 0 BDAEHO CC(C)OCCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000566056409 388986048 /nfs/dbraw/zinc/98/60/48/388986048.db2.gz ZNSUORGABOVFSM-OLZOCXBDSA-N 1 3 228.380 1.779 10 0 BDAEHO C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H]1CCCNC1 ZINC000566088883 388986691 /nfs/dbraw/zinc/98/66/91/388986691.db2.gz FOVQISWERCHGML-VXGBXAGGSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@@H](NCC(C)(C)C(C)(C)O)[C@@H]1CCC[NH2+]C1 ZINC000566088883 388986694 /nfs/dbraw/zinc/98/66/94/388986694.db2.gz FOVQISWERCHGML-VXGBXAGGSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@H](N[C@H]1COCC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000566088989 388986923 /nfs/dbraw/zinc/98/69/23/388986923.db2.gz XZEAJAATBPJTHD-SRVKXCTJSA-N 1 3 226.364 1.389 10 0 BDAEHO C[C@H]([NH2+][C@H]1COCC1(C)C)[C@H]1CCCNC1 ZINC000566088989 388986925 /nfs/dbraw/zinc/98/69/25/388986925.db2.gz XZEAJAATBPJTHD-SRVKXCTJSA-N 1 3 226.364 1.389 10 0 BDAEHO C[C@@H](NCC1(O)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400575628 533361936 /nfs/dbraw/zinc/36/19/36/533361936.db2.gz OUOBHBPGVQBXOK-VXGBXAGGSA-N 1 3 226.364 1.269 10 0 BDAEHO C[C@@H](NCCc1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000400535255 533405524 /nfs/dbraw/zinc/40/55/24/533405524.db2.gz SYAAGUOTFTUITH-YPMHNXCESA-N 1 3 236.334 1.956 10 0 BDAEHO C[C@H](CC[NH3+])CN1CCN(c2ccccc2)CC1 ZINC000049835980 132358361 /nfs/dbraw/zinc/35/83/61/132358361.db2.gz YLKQBALSQMJNCM-CQSZACIVSA-N 1 3 247.386 1.794 10 0 BDAEHO C([C@@H]1CCN(C2CCC2)C1)[NH+]1CCCC1 ZINC000179578574 134321971 /nfs/dbraw/zinc/32/19/71/134321971.db2.gz XPWSGPHKAOJJQX-LBPRGKRZSA-N 1 3 208.349 1.957 10 0 BDAEHO C([C@@H]1CC[N@@H+](C2CCC2)C1)N1CCCC1 ZINC000179578574 134321972 /nfs/dbraw/zinc/32/19/72/134321972.db2.gz XPWSGPHKAOJJQX-LBPRGKRZSA-N 1 3 208.349 1.957 10 0 BDAEHO C([C@@H]1CC[N@H+](C2CCC2)C1)N1CCCC1 ZINC000179578574 134321973 /nfs/dbraw/zinc/32/19/73/134321973.db2.gz XPWSGPHKAOJJQX-LBPRGKRZSA-N 1 3 208.349 1.957 10 0 BDAEHO CC1(C)CN(C[C@@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000261581407 135110267 /nfs/dbraw/zinc/11/02/67/135110267.db2.gz NOKDPXUKKHIHEZ-NWDGAFQWSA-N 1 3 226.364 1.472 10 0 BDAEHO CC1(CN2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000261536821 135173038 /nfs/dbraw/zinc/17/30/38/135173038.db2.gz TUZZSACGNHGNGW-RYUDHWBXSA-N 1 3 208.349 1.718 10 0 BDAEHO CCC1(C[NH2+][C@H]2CCNC[C@@H]2C)CCOCC1 ZINC000261544979 135186178 /nfs/dbraw/zinc/18/61/78/135186178.db2.gz FLLJQPJDYLIEQN-STQMWFEESA-N 1 3 240.391 1.781 10 0 BDAEHO CCC1CCC(NC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263142398 135335675 /nfs/dbraw/zinc/33/56/75/135335675.db2.gz CLLOFFVUQYQCCC-KPFVRQRISA-N 1 3 226.364 1.125 10 0 BDAEHO CCC1CCC([NH2+]C[C@H]2CNC[C@@H]2O)CC1 ZINC000263142398 135335676 /nfs/dbraw/zinc/33/56/76/135335676.db2.gz CLLOFFVUQYQCCC-KPFVRQRISA-N 1 3 226.364 1.125 10 0 BDAEHO CC1(C)CCC(CNC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263150630 135335870 /nfs/dbraw/zinc/33/58/70/135335870.db2.gz DASDEVHILWRTJM-OLZOCXBDSA-N 1 3 240.391 1.373 10 0 BDAEHO CC1(C)CCC(C[NH2+]C[C@@H]2CNC[C@@H]2O)CC1 ZINC000263150630 135335872 /nfs/dbraw/zinc/33/58/72/135335872.db2.gz DASDEVHILWRTJM-OLZOCXBDSA-N 1 3 240.391 1.373 10 0 BDAEHO C[C@@H]1OCC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000348185636 136044290 /nfs/dbraw/zinc/04/42/90/136044290.db2.gz BWICRPDCUDVSFF-TUAOUCFPSA-N 1 3 212.337 1.238 10 0 BDAEHO C[C@@H]1OCC[C@@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000348185636 136044291 /nfs/dbraw/zinc/04/42/91/136044291.db2.gz BWICRPDCUDVSFF-TUAOUCFPSA-N 1 3 212.337 1.238 10 0 BDAEHO C[C@@H]1OCC[C@@H]1NCC[C@H]1CCC[N@H+]1C ZINC000348185636 136044292 /nfs/dbraw/zinc/04/42/92/136044292.db2.gz BWICRPDCUDVSFF-TUAOUCFPSA-N 1 3 212.337 1.238 10 0 BDAEHO COc1ccc(CNC(C)(C)CC[NH3+])cc1 ZINC000258859694 322879141 /nfs/dbraw/zinc/87/91/41/322879141.db2.gz OLKKHXRALUWSBV-UHFFFAOYSA-N 1 3 222.332 1.912 10 0 BDAEHO CCCN1CC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000665274082 410743641 /nfs/dbraw/zinc/74/36/41/410743641.db2.gz JKSPTKRLEWKOFV-IHRRRGAJSA-N 1 3 239.407 1.448 10 0 BDAEHO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H](N)C(C)(C)C ZINC000049220382 167395816 /nfs/dbraw/zinc/39/58/16/167395816.db2.gz NLFXWZKIWFAPLI-GHMZBOCLSA-N 1 3 243.395 1.062 10 0 BDAEHO CCN1CCc2ccccc2[C@@H]1CC[NH3+] ZINC000011802508 170025678 /nfs/dbraw/zinc/02/56/78/170025678.db2.gz HHMKRRDOOPRYOB-ZDUSSCGKSA-N 1 3 204.317 1.955 10 0 BDAEHO CC[NH2+]CC(C)(C)CN1CCC[C@@H]1CCCO ZINC000052763375 170111060 /nfs/dbraw/zinc/11/10/60/170111060.db2.gz HAOTULPSYMRHKF-CYBMUJFWSA-N 1 3 242.407 1.859 10 0 BDAEHO CC[NH2+]C[C@@H](C(C)C)N1CCN(C)C(C)(C)C1 ZINC000104131390 170118022 /nfs/dbraw/zinc/11/80/22/170118022.db2.gz NLEITTJMDUYTHF-ZDUSSCGKSA-N 1 3 241.423 1.647 10 0 BDAEHO CC[NH2+]C[C@H](C(C)C)N1CCN(C(C)C)CC1 ZINC000052479953 170120745 /nfs/dbraw/zinc/12/07/45/170120745.db2.gz FJPCTNDHQUAPFH-CQSZACIVSA-N 1 3 241.423 1.647 10 0 BDAEHO CC[NH2+]C[C@H](CC)N1CCN(CC(C)C)CC1 ZINC000055082996 170122176 /nfs/dbraw/zinc/12/21/76/170122176.db2.gz IPHOEDRSFUKFBA-AWEZNQCLSA-N 1 3 241.423 1.648 10 0 BDAEHO CC[NH2+]C[C@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC000095091545 170122381 /nfs/dbraw/zinc/12/23/81/170122381.db2.gz NDTHGBXTJCOSAV-CABCVRRESA-N 1 3 248.370 1.479 10 0 BDAEHO CC[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000052379500 170126310 /nfs/dbraw/zinc/12/63/10/170126310.db2.gz VPROPRKMRPEVJL-UHFFFAOYSA-N 1 3 247.386 1.544 10 0 BDAEHO CC[NH2+]Cc1ccccc1CN(C)CCOC ZINC000052572957 170128723 /nfs/dbraw/zinc/12/87/23/170128723.db2.gz VIVZLHUWENYMNF-UHFFFAOYSA-N 1 3 236.359 1.874 10 0 BDAEHO CC[NH2+][C@@H](C)[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055079189 170140157 /nfs/dbraw/zinc/14/01/57/170140157.db2.gz HQBDNAVHWCVYEK-UONOGXRCSA-N 1 3 241.423 1.647 10 0 BDAEHO CC[NH2+][C@H](C)[C@H]1CCCN([C@@H]2CCC[C@@H]2O)C1 ZINC000104420291 170159310 /nfs/dbraw/zinc/15/93/10/170159310.db2.gz UMVHJIDKZMECFY-RQJABVFESA-N 1 3 240.391 1.610 10 0 BDAEHO CC[NH2+][C@H]1CCC[C@@H]1CN1CCCC[C@@H]1CO ZINC000053877171 170166879 /nfs/dbraw/zinc/16/68/79/170166879.db2.gz GZJUWNKFJJDCKU-MCIONIFRSA-N 1 3 240.391 1.611 10 0 BDAEHO CCOC1CCN(C[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053870215 170332121 /nfs/dbraw/zinc/33/21/21/170332121.db2.gz WOAJRIPVUPNIKY-YPMHNXCESA-N 1 3 226.364 1.615 10 0 BDAEHO CCOC1CC[NH+]([C@H](C)[C@@H](C)N)CC1 ZINC000041053897 170332193 /nfs/dbraw/zinc/33/21/93/170332193.db2.gz DDHAWXMFYUOUNI-NXEZZACHSA-N 1 3 200.326 1.223 10 0 BDAEHO CC[C@@H]1CCN([C@@H]2CCCN(CC)C2)CC[NH2+]1 ZINC000049662454 171014792 /nfs/dbraw/zinc/01/47/92/171014792.db2.gz MIYZGYVZWQBPRU-ZIAGYGMSSA-N 1 3 239.407 1.545 10 0 BDAEHO CC[C@@]1(CN2CCCN(C)CC2)CCC[NH2+]C1 ZINC000062861836 171211188 /nfs/dbraw/zinc/21/11/88/171211188.db2.gz RGKMNDUHEFTQNO-CQSZACIVSA-N 1 3 239.407 1.404 10 0 BDAEHO CC[C@H](C)N1CCN(CC(C)(C)[NH3+])CC1 ZINC000055083389 171318645 /nfs/dbraw/zinc/31/86/45/171318645.db2.gz BCAGIXSSBAZVAO-NSHDSACASA-N 1 3 213.369 1.140 10 0 BDAEHO CC[C@H](C)[C@@H]([NH3+])CN(CCN(C)C)CC(C)C ZINC000042781879 171372269 /nfs/dbraw/zinc/37/22/69/171372269.db2.gz MIFDJGFPGLPQOV-KBPBESRZSA-N 1 3 243.439 1.879 10 0 BDAEHO C[C@H](NCCO[C@H]1CC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000665243907 412186853 /nfs/dbraw/zinc/18/68/53/412186853.db2.gz AUUBCYMYSPNWSV-DCAQKATOSA-N 1 3 248.317 1.388 10 0 BDAEHO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)[C@H]1CCCNC1 ZINC000665243907 412186857 /nfs/dbraw/zinc/18/68/57/412186857.db2.gz AUUBCYMYSPNWSV-DCAQKATOSA-N 1 3 248.317 1.388 10 0 BDAEHO CC[C@@H]([NH2+]C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000662493897 412194227 /nfs/dbraw/zinc/19/42/27/412194227.db2.gz SXFUDOYHYHOIQB-NWDGAFQWSA-N 1 3 243.395 1.077 10 0 BDAEHO C[C@H](NCCc1ccoc1)[C@@H]1CCC[NH2+]C1 ZINC000665263507 412207673 /nfs/dbraw/zinc/20/76/73/412207673.db2.gz NPEWZSQROQEMNO-WCQYABFASA-N 1 3 222.332 1.800 10 0 BDAEHO CN(C)C(=O)CC[N@H+](CCCN)C1CCCC1 ZINC000037897735 172357907 /nfs/dbraw/zinc/35/79/07/172357907.db2.gz SYHQLQCTANTAHX-UHFFFAOYSA-N 1 3 241.379 1.058 10 0 BDAEHO CN(C)C(=O)CC[N@@H+](CCCN)C1CCCC1 ZINC000037897735 172357909 /nfs/dbraw/zinc/35/79/09/172357909.db2.gz SYHQLQCTANTAHX-UHFFFAOYSA-N 1 3 241.379 1.058 10 0 BDAEHO C[NH+](C)C1CCN([C@H](CN)c2ccccc2)CC1 ZINC000036191598 172407363 /nfs/dbraw/zinc/40/73/63/172407363.db2.gz CWNLODXCELMOPY-OAHLLOKOSA-N 1 3 247.386 1.712 10 0 BDAEHO CN(C)CCN(C)[C@H](C[NH3+])c1ccccc1 ZINC000041239076 172454703 /nfs/dbraw/zinc/45/47/03/172454703.db2.gz MAVUCIUBZKGQEG-CYBMUJFWSA-N 1 3 221.348 1.180 10 0 BDAEHO CN(c1ncc(C[NH3+])s1)[C@H]1CCCN(C)C1 ZINC000054896325 173043593 /nfs/dbraw/zinc/04/35/93/173043593.db2.gz XQBYWFJPXOBQGX-VIFPVBQESA-N 1 3 240.376 1.132 10 0 BDAEHO CN1CCN(Cc2ccccc2)[C@H](CC[NH3+])C1 ZINC000082342688 173086800 /nfs/dbraw/zinc/08/68/00/173086800.db2.gz NKHOOAGRABKSIR-CQSZACIVSA-N 1 3 233.359 1.151 10 0 BDAEHO CN1CCN(Cc2ccccc2)C[C@@H]1CC[NH3+] ZINC000082342745 173088111 /nfs/dbraw/zinc/08/81/11/173088111.db2.gz QAPSBGJETDAJBS-AWEZNQCLSA-N 1 3 233.359 1.151 10 0 BDAEHO C[N@@H+]1CC[C@](CN)(N2Cc3ccccc3C2)C1 ZINC000061990773 173163710 /nfs/dbraw/zinc/16/37/10/173163710.db2.gz PZKBHHSFSBOXNP-CQSZACIVSA-N 1 3 231.343 1.035 10 0 BDAEHO C[N@H+]1CC[C@](CN)(N2Cc3ccccc3C2)C1 ZINC000061990773 173163712 /nfs/dbraw/zinc/16/37/12/173163712.db2.gz PZKBHHSFSBOXNP-CQSZACIVSA-N 1 3 231.343 1.035 10 0 BDAEHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCN(C)C1CC1 ZINC000062011477 173323757 /nfs/dbraw/zinc/32/37/57/173323757.db2.gz PJABJARRKAZLFQ-QXMXGUDHSA-N 1 3 237.391 1.295 10 0 BDAEHO C[NH2+]C[C@@H]1CCCN(C2CCSCC2)C1 ZINC000042335293 173367700 /nfs/dbraw/zinc/36/77/00/173367700.db2.gz IJOUMZDPQZHSKE-NSHDSACASA-N 1 3 228.405 1.813 10 0 BDAEHO CNC[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000042335293 173367701 /nfs/dbraw/zinc/36/77/01/173367701.db2.gz IJOUMZDPQZHSKE-NSHDSACASA-N 1 3 228.405 1.813 10 0 BDAEHO CNC[C@@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000042335293 173367703 /nfs/dbraw/zinc/36/77/03/173367703.db2.gz IJOUMZDPQZHSKE-NSHDSACASA-N 1 3 228.405 1.813 10 0 BDAEHO C[NH2+]C[C@@]1(CN(C)C[C@@H]2C[C@@H]2C)CCCOC1 ZINC000104408439 173373105 /nfs/dbraw/zinc/37/31/05/173373105.db2.gz LOKYEQMUJUATNM-MELADBBJSA-N 1 3 240.391 1.590 10 0 BDAEHO CNC[C@@]1(C[N@H+](C)C[C@@H]2C[C@@H]2C)CCCOC1 ZINC000104408439 173373107 /nfs/dbraw/zinc/37/31/07/173373107.db2.gz LOKYEQMUJUATNM-MELADBBJSA-N 1 3 240.391 1.590 10 0 BDAEHO CNC[C@@]1(C[N@@H+](C)C[C@@H]2C[C@@H]2C)CCCOC1 ZINC000104408439 173373109 /nfs/dbraw/zinc/37/31/09/173373109.db2.gz LOKYEQMUJUATNM-MELADBBJSA-N 1 3 240.391 1.590 10 0 BDAEHO C[NH2+]C[C@]1(CN2CCC(C)CC2)CCOC1 ZINC000051207915 173384051 /nfs/dbraw/zinc/38/40/51/173384051.db2.gz VEGLXKQUDZPAQR-ZDUSSCGKSA-N 1 3 226.364 1.344 10 0 BDAEHO CNC[C@]1(C[NH+]2CCC(C)CC2)CCOC1 ZINC000051207915 173384053 /nfs/dbraw/zinc/38/40/53/173384053.db2.gz VEGLXKQUDZPAQR-ZDUSSCGKSA-N 1 3 226.364 1.344 10 0 BDAEHO C[NH2+]Cc1ccoc1CN1CCCSCC1 ZINC000052371027 173391511 /nfs/dbraw/zinc/39/15/11/173391511.db2.gz QKBSTGGCVVSMQI-UHFFFAOYSA-N 1 3 240.372 1.938 10 0 BDAEHO C[NH2+]Cc1coc(CN2CCCCC2)c1 ZINC000052421249 173393597 /nfs/dbraw/zinc/39/35/97/173393597.db2.gz QOCQJRODXHDGTJ-UHFFFAOYSA-N 1 3 208.305 1.985 10 0 BDAEHO COC1CC[NH+](CC2(N)CCCC2)CC1 ZINC000037479618 174027606 /nfs/dbraw/zinc/02/76/06/174027606.db2.gz OTOZZEFRHVIKHY-UHFFFAOYSA-N 1 3 212.337 1.369 10 0 BDAEHO COCCN(Cc1ccc(C[NH3+])cc1)C1CC1 ZINC000042517588 174299602 /nfs/dbraw/zinc/29/96/02/174299602.db2.gz MNHGPURKCBVOJJ-UHFFFAOYSA-N 1 3 234.343 1.756 10 0 BDAEHO C[C@@H]1CCCC[N@@H+]1C1(CN)CCN(C)CC1 ZINC000019482418 176069732 /nfs/dbraw/zinc/06/97/32/176069732.db2.gz QJVDBKMTGANEHE-GFCCVEGCSA-N 1 3 225.380 1.284 10 0 BDAEHO C[C@@H]1CCCC[N@H+]1C1(CN)CCN(C)CC1 ZINC000019482418 176069734 /nfs/dbraw/zinc/06/97/34/176069734.db2.gz QJVDBKMTGANEHE-GFCCVEGCSA-N 1 3 225.380 1.284 10 0 BDAEHO C[C@@H]1CCCC[N@@H+]1CCCNCCCO ZINC000048695461 176071210 /nfs/dbraw/zinc/07/12/10/176071210.db2.gz QWSLYFQFLKGPIQ-GFCCVEGCSA-N 1 3 214.353 1.223 10 0 BDAEHO C[C@@H]1CCCC[N@H+]1CCCNCCCO ZINC000048695461 176071212 /nfs/dbraw/zinc/07/12/12/176071212.db2.gz QWSLYFQFLKGPIQ-GFCCVEGCSA-N 1 3 214.353 1.223 10 0 BDAEHO C[C@@H]1CCCCN1CCC[NH2+]CCCO ZINC000048695461 176071214 /nfs/dbraw/zinc/07/12/14/176071214.db2.gz QWSLYFQFLKGPIQ-GFCCVEGCSA-N 1 3 214.353 1.223 10 0 BDAEHO C[C@@H]1CCCN1[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037910609 176110303 /nfs/dbraw/zinc/11/03/03/176110303.db2.gz QHXAJOPZXATHCZ-GRYCIOLGSA-N 1 3 240.347 1.094 10 0 BDAEHO C[C@@H]1CC[NH+](CC2CCOCC2)CC[C@@H](C)N1 ZINC000104188322 176168190 /nfs/dbraw/zinc/16/81/90/176168190.db2.gz ZJDFWVWKCVIXBB-CHWSQXEVSA-N 1 3 240.391 1.875 10 0 BDAEHO C[C@@H]1CN(CCCC2CC[NH2+]CC2)CCN1C ZINC000104351608 176288529 /nfs/dbraw/zinc/28/85/29/176288529.db2.gz KLMODVVHPZWDDF-CYBMUJFWSA-N 1 3 239.407 1.402 10 0 BDAEHO C[C@H](Cc1ccccc1)[NH2+]C1CCNCC1 ZINC000062184773 176724560 /nfs/dbraw/zinc/72/45/60/176724560.db2.gz WEXOWAKNZAMGIC-GFCCVEGCSA-N 1 3 218.344 1.959 10 0 BDAEHO C[C@H](Cc1ccccc1)NC1CC[NH2+]CC1 ZINC000062184773 176724561 /nfs/dbraw/zinc/72/45/61/176724561.db2.gz WEXOWAKNZAMGIC-GFCCVEGCSA-N 1 3 218.344 1.959 10 0 BDAEHO C[C@H]1CCCCN1CCC[N@@H+]1CC[C@H](CO)C1 ZINC000049474384 177074762 /nfs/dbraw/zinc/07/47/62/177074762.db2.gz USNLPSRFNIQQTD-KBPBESRZSA-N 1 3 240.391 1.565 10 0 BDAEHO C[C@H]1CCCCN1CCC[N@H+]1CC[C@H](CO)C1 ZINC000049474384 177074764 /nfs/dbraw/zinc/07/47/64/177074764.db2.gz USNLPSRFNIQQTD-KBPBESRZSA-N 1 3 240.391 1.565 10 0 BDAEHO C[C@H]1CCCC[C@]1(CN)[NH+]1CCN(C)CC1 ZINC000019435311 177090543 /nfs/dbraw/zinc/09/05/43/177090543.db2.gz FAZWFZCWQAGAJL-QWHCGFSZSA-N 1 3 225.380 1.141 10 0 BDAEHO C[C@H]1CCC[C@@H]([N@H+](C)CCNCCN(C)C)C1 ZINC000053426679 177120072 /nfs/dbraw/zinc/12/00/72/177120072.db2.gz MLRURICTDAQGJO-UONOGXRCSA-N 1 3 241.423 1.648 10 0 BDAEHO C[C@H]1CCC[C@@H]([N@@H+](C)CCNCCN(C)C)C1 ZINC000053426679 177120073 /nfs/dbraw/zinc/12/00/73/177120073.db2.gz MLRURICTDAQGJO-UONOGXRCSA-N 1 3 241.423 1.648 10 0 BDAEHO C[C@H]1CC[N@@H+](C2CCOCC2)CCCN1 ZINC000049666366 177157076 /nfs/dbraw/zinc/15/70/76/177157076.db2.gz IGJNGTFSWGDKFP-NSHDSACASA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@H]1CC[N@H+](C2CCOCC2)CCCN1 ZINC000049666366 177157077 /nfs/dbraw/zinc/15/70/77/177157077.db2.gz IGJNGTFSWGDKFP-NSHDSACASA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@@H](Cc1ccco1)[N@@H+]1CCN[C@@H](C)CC1 ZINC000049662356 177169730 /nfs/dbraw/zinc/16/97/30/177169730.db2.gz QVDQIXWOPCWZQP-RYUDHWBXSA-N 1 3 222.332 1.894 10 0 BDAEHO C[C@@H](Cc1ccco1)[N@H+]1CCN[C@@H](C)CC1 ZINC000049662356 177169731 /nfs/dbraw/zinc/16/97/31/177169731.db2.gz QVDQIXWOPCWZQP-RYUDHWBXSA-N 1 3 222.332 1.894 10 0 BDAEHO C[C@H]1CN(CCCCCC[NH3+])C[C@H](C)O1 ZINC000020071752 177247407 /nfs/dbraw/zinc/24/74/07/177247407.db2.gz IVZFQBOMOAPJIM-RYUDHWBXSA-N 1 3 214.353 1.615 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@H](C)CN(CCc2ccco2)C1 ZINC000049667387 177285398 /nfs/dbraw/zinc/28/53/98/177285398.db2.gz YXTFDZYKZZORGC-BETUJISGSA-N 1 3 236.359 2.000 10 0 BDAEHO C[C@H]1C[NH2+]C[C@H](C)CN(CCc2ccncc2)C1 ZINC000049666821 177285628 /nfs/dbraw/zinc/28/56/28/177285628.db2.gz NMYNZILLPNQADY-KBPBESRZSA-N 1 3 247.386 1.802 10 0 BDAEHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(C)C1 ZINC000037646709 177370594 /nfs/dbraw/zinc/37/05/94/177370594.db2.gz GHVQRJOPFQJKEL-RFGFWPKPSA-N 1 3 239.407 1.256 10 0 BDAEHO C[C@H](N[C@@H](CO)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400334854 226340945 /nfs/dbraw/zinc/34/09/45/226340945.db2.gz FQWSERZPJKDPBH-AEGPPILISA-N 1 3 248.370 1.178 10 0 BDAEHO COCC1(CN[C@@H](C)[C@@H]2CC[NH2+]C2)CCC1 ZINC000400377287 226342111 /nfs/dbraw/zinc/34/21/11/226342111.db2.gz JBJDSSUPCDIZJQ-NWDGAFQWSA-N 1 3 226.364 1.391 10 0 BDAEHO C[C@H](NCCN1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400591919 226347687 /nfs/dbraw/zinc/34/76/87/226347687.db2.gz UOOYVGNVOUEOQJ-QWHCGFSZSA-N 1 3 225.380 1.060 10 0 BDAEHO Cn1cncc1CCCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000314898620 487670230 /nfs/dbraw/zinc/67/02/30/487670230.db2.gz NCYHVXMNLDCDRG-YUTCNCBUSA-N 1 3 248.374 1.022 10 0 BDAEHO CN1CCC[C@H]2C[N@@H+]([C@@H]3CCC[C@H]3O)CC[C@@H]21 ZINC000226289361 487709212 /nfs/dbraw/zinc/70/92/12/487709212.db2.gz SUSDEALAKFKBDK-IGQOVBAYSA-N 1 3 238.375 1.316 10 0 BDAEHO CN1CCC[C@H]2C[N@H+]([C@@H]3CCC[C@H]3O)CC[C@@H]21 ZINC000226289361 487709217 /nfs/dbraw/zinc/70/92/17/487709217.db2.gz SUSDEALAKFKBDK-IGQOVBAYSA-N 1 3 238.375 1.316 10 0 BDAEHO CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCCNC2)C1(C)C ZINC000562958362 323035262 /nfs/dbraw/zinc/03/52/62/323035262.db2.gz CGUJUMQQLUUZJC-FVCCEPFGSA-N 1 3 240.391 1.778 10 0 BDAEHO CO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000562958362 323035263 /nfs/dbraw/zinc/03/52/63/323035263.db2.gz CGUJUMQQLUUZJC-FVCCEPFGSA-N 1 3 240.391 1.778 10 0 BDAEHO Cc1ncsc1CCN[C@@H]1CCC[NH2+]CC1 ZINC000391189425 323099642 /nfs/dbraw/zinc/09/96/42/323099642.db2.gz NGOUTIGMWOUFEM-LLVKDONJSA-N 1 3 239.388 1.726 10 0 BDAEHO CCOCCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000568987922 326385052 /nfs/dbraw/zinc/38/50/52/326385052.db2.gz VMCTVHISNYISMX-GHMZBOCLSA-N 1 3 200.326 1.001 10 0 BDAEHO CCOCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000568987922 326385053 /nfs/dbraw/zinc/38/50/53/326385053.db2.gz VMCTVHISNYISMX-GHMZBOCLSA-N 1 3 200.326 1.001 10 0 BDAEHO C[NH2+][C@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000054076156 488206022 /nfs/dbraw/zinc/20/60/22/488206022.db2.gz HBYDNOYEHUIGGT-YPMHNXCESA-N 1 3 249.358 1.013 10 0 BDAEHO C[C@H]([NH2+][C@H]1CCSC1)[C@@H]1CCCNC1 ZINC000560943270 491130823 /nfs/dbraw/zinc/13/08/23/491130823.db2.gz JANAIXYJPGLAMA-AXFHLTTASA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@H](N[C@H]1CCSC1)[C@@H]1CCC[NH2+]C1 ZINC000560943270 491130824 /nfs/dbraw/zinc/13/08/24/491130824.db2.gz JANAIXYJPGLAMA-AXFHLTTASA-N 1 3 214.378 1.470 10 0 BDAEHO CN1CCC2(CC1)[NH2+][C@@H]1CCCC[C@@H]1CO2 ZINC000757138598 582518118 /nfs/dbraw/zinc/51/81/18/582518118.db2.gz CPIOTGKNFWAKIH-VXGBXAGGSA-N 1 3 224.348 1.587 10 0 BDAEHO CCN1CCC2(CC1)[NH2+]C[C@@H]1CCC[C@@H]1O2 ZINC000757138723 582518498 /nfs/dbraw/zinc/51/84/98/582518498.db2.gz DFDXIDWDRACKCA-RYUDHWBXSA-N 1 3 224.348 1.587 10 0 BDAEHO C[C@@H]1CCC[C@]2(C1)[NH2+]CCC1(CNC1)O2 ZINC000757145815 582528769 /nfs/dbraw/zinc/52/87/69/582528769.db2.gz ITJSANHGQJKLOV-PWSUYJOCSA-N 1 3 210.321 1.245 10 0 BDAEHO [NH3+]C[C@@H]1CNC[C@@H](c2ccc(C=O)s2)C1 ZINC000757213023 582561138 /nfs/dbraw/zinc/56/11/38/582561138.db2.gz KSEURASCQFOBJR-BDAKNGLRSA-N 1 3 224.329 1.212 10 0 BDAEHO C[C@H](NCC[C@@H]1CCCCO1)[C@H]1CC[NH2+]C1 ZINC000400569842 533864144 /nfs/dbraw/zinc/86/41/44/533864144.db2.gz NJXUVEUAZMVXFS-AVGNSLFASA-N 1 3 226.364 1.533 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@H]1CCC[C@H]1C[NH3+] ZINC000306708200 527820815 /nfs/dbraw/zinc/82/08/15/527820815.db2.gz SNDIWFIHFNNRCZ-GUBZILKMSA-N 1 3 214.378 1.597 10 0 BDAEHO CC1(C)SC[C@@H]1[NH2+][C@H]1CCC[C@H]1CN ZINC000306708200 527820818 /nfs/dbraw/zinc/82/08/18/527820818.db2.gz SNDIWFIHFNNRCZ-GUBZILKMSA-N 1 3 214.378 1.597 10 0 BDAEHO CCCCOCCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400402365 528610535 /nfs/dbraw/zinc/61/05/35/528610535.db2.gz QPRSCIAOSCXQGS-NWDGAFQWSA-N 1 3 214.353 1.391 10 0 BDAEHO CCN1CCC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400335876 529092617 /nfs/dbraw/zinc/09/26/17/529092617.db2.gz ABUVVNMSMIYJJS-AGIUHOORSA-N 1 3 225.380 1.201 10 0 BDAEHO CCCN1CCN(c2cc[nH+]cc2N)CC1 ZINC000020370412 534937088 /nfs/dbraw/zinc/93/70/88/534937088.db2.gz SXUCDQKGXLVTPA-UHFFFAOYSA-N 1 3 220.320 1.196 10 0 BDAEHO COC[C@H](C)C[N@@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757128257 582503317 /nfs/dbraw/zinc/50/33/17/582503317.db2.gz JWMQKBGFOKQSFE-HZSPNIEDSA-N 1 3 240.391 1.875 10 0 BDAEHO COC[C@H](C)C[N@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757128257 582503319 /nfs/dbraw/zinc/50/33/19/582503319.db2.gz JWMQKBGFOKQSFE-HZSPNIEDSA-N 1 3 240.391 1.875 10 0 BDAEHO COC[C@H](C)C[N@@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757128265 582503462 /nfs/dbraw/zinc/50/34/62/582503462.db2.gz JWMQKBGFOKQSFE-RDBSUJKOSA-N 1 3 240.391 1.875 10 0 BDAEHO COC[C@H](C)C[N@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757128265 582503464 /nfs/dbraw/zinc/50/34/64/582503464.db2.gz JWMQKBGFOKQSFE-RDBSUJKOSA-N 1 3 240.391 1.875 10 0 BDAEHO C1CC1[NH+]1CCC2(CC1)NC[C@H]1CCC[C@@H]1O2 ZINC000757143130 582522984 /nfs/dbraw/zinc/52/29/84/582522984.db2.gz MEGQNEQCMIZOJN-YPMHNXCESA-N 1 3 236.359 1.729 10 0 BDAEHO CC(C)CN1CCN([C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396623667 583086902 /nfs/dbraw/zinc/08/69/02/583086902.db2.gz DECHGTWSZKLZLO-KGLIPLIRSA-N 1 3 239.407 1.401 10 0 BDAEHO C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](c2cccc(N)c2)N1 ZINC000757210026 586438597 /nfs/dbraw/zinc/43/85/97/586438597.db2.gz DTMPPWAYWWQFMY-DJBIQUGXSA-N 1 3 233.359 1.903 10 0 BDAEHO CC(=O)c1cccc([C@@H]2CNCC[C@@H]2[NH3+])c1 ZINC000757219049 586442087 /nfs/dbraw/zinc/44/20/87/586442087.db2.gz XSZUJEUUVVCCQC-STQMWFEESA-N 1 3 218.300 1.293 10 0 BDAEHO CC(=O)c1cccc([C@@H]2C[NH2+]CC[C@@H]2N)c1 ZINC000757219049 586442088 /nfs/dbraw/zinc/44/20/88/586442088.db2.gz XSZUJEUUVVCCQC-STQMWFEESA-N 1 3 218.300 1.293 10 0 BDAEHO [NH3+]C[C@H]1CNC[C@@H](c2cccc(C=O)c2)C1 ZINC000757219959 586442355 /nfs/dbraw/zinc/44/23/55/586442355.db2.gz ZLXJTMVYHDJBKB-AAEUAGOBSA-N 1 3 218.300 1.151 10 0 BDAEHO NC[C@H]1C[NH2+]C[C@@H](c2cccc(C=O)c2)C1 ZINC000757219959 586442356 /nfs/dbraw/zinc/44/23/56/586442356.db2.gz ZLXJTMVYHDJBKB-AAEUAGOBSA-N 1 3 218.300 1.151 10 0 BDAEHO Cc1ccc(N)cc1[C@H]1CC[C@H](C[NH3+])NC1 ZINC000757229609 586443307 /nfs/dbraw/zinc/44/33/07/586443307.db2.gz FBHWSTKNSIIFRQ-CMPLNLGQSA-N 1 3 219.332 1.372 10 0 BDAEHO Cc1ccc(N)cc1[C@H]1CC[C@@H](C[NH3+])NC1 ZINC000757229622 586443380 /nfs/dbraw/zinc/44/33/80/586443380.db2.gz FBHWSTKNSIIFRQ-JQWIXIFHSA-N 1 3 219.332 1.372 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@H]1CN1CCN2CCCC[C@@H]2C1 ZINC000094440520 631577886 /nfs/dbraw/zinc/57/78/86/631577886.db2.gz XIMSNBVORXDHLI-HZSPNIEDSA-N 1 3 237.391 1.012 10 0 BDAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CSC1(C)C)[NH2+]2 ZINC000709344542 712220207 /nfs/dbraw/zinc/22/02/07/712220207.db2.gz JSQDOAPTQVFSOY-LVEVGFFFSA-N 1 3 240.416 1.999 10 0 BDAEHO CCC[N@H+](C[C@H]1CCCO1)C1CCNCC1 ZINC000037469623 712642556 /nfs/dbraw/zinc/64/25/56/712642556.db2.gz KDPQPLCFQOMGRH-CYBMUJFWSA-N 1 3 226.364 1.629 10 0 BDAEHO CCC[N@@H+](C[C@H]1CCCO1)C1CCNCC1 ZINC000037469623 712642557 /nfs/dbraw/zinc/64/25/57/712642557.db2.gz KDPQPLCFQOMGRH-CYBMUJFWSA-N 1 3 226.364 1.629 10 0 BDAEHO CCCN(C[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000037469623 712642558 /nfs/dbraw/zinc/64/25/58/712642558.db2.gz KDPQPLCFQOMGRH-CYBMUJFWSA-N 1 3 226.364 1.629 10 0 BDAEHO Cc1cc(CN2CC[C@@H](C[NH3+])C2)cc(C)c1O ZINC000050245166 178000479 /nfs/dbraw/zinc/00/04/79/178000479.db2.gz PNZUWZZVIDITOB-LBPRGKRZSA-N 1 3 234.343 1.790 10 0 BDAEHO CC(C)N1CC[C@@H]([NH3+])C12CCSCC2 ZINC000606283144 538929453 /nfs/dbraw/zinc/92/94/53/538929453.db2.gz VTGYVMGKESWHBC-SNVBAGLBSA-N 1 3 214.378 1.694 10 0 BDAEHO CCC(CC)N(CCOC)C[C@@H]1C[NH2+]C[C@@H]1C ZINC000104216426 168373393 /nfs/dbraw/zinc/37/33/93/168373393.db2.gz GJYXXJMCRTWHSF-STQMWFEESA-N 1 3 242.407 1.979 10 0 BDAEHO COc1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631838660 398285719 /nfs/dbraw/zinc/28/57/19/398285719.db2.gz SKNUIMHOZGJYME-YPMHNXCESA-N 1 3 234.343 1.722 10 0 BDAEHO N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000212726972 539027732 /nfs/dbraw/zinc/02/77/32/539027732.db2.gz DVYMZSUMQKZFGP-ZYHUDNBSSA-N 1 3 204.273 1.201 10 0 BDAEHO C[C@@H]1C[NH+]=C(NCC(C)(C)N(C)C)S1 ZINC000043412004 343066576 /nfs/dbraw/zinc/06/65/76/343066576.db2.gz QVAOSKFCESIBPE-MRVPVSSYSA-N 1 3 215.366 1.408 10 0 BDAEHO C[C@H](NC[C@@H](O)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000562957169 323035122 /nfs/dbraw/zinc/03/51/22/323035122.db2.gz SHZHLUBXNCDHKN-WCFLWFBJSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H]([NH2+]C[C@@H](O)C1CCC1)[C@H]1CCCNC1 ZINC000562957169 323035123 /nfs/dbraw/zinc/03/51/23/323035123.db2.gz SHZHLUBXNCDHKN-WCFLWFBJSA-N 1 3 226.364 1.125 10 0 BDAEHO COCCN(CCOC)[C@H]1CCCC[C@H]1C[NH3+] ZINC000036199176 187259414 /nfs/dbraw/zinc/25/94/14/187259414.db2.gz UCTNGFFUORETFA-STQMWFEESA-N 1 3 244.379 1.099 10 0 BDAEHO C[NH2+]Cc1ccccc1CN(C)[C@H](C)COC ZINC000052511942 187270910 /nfs/dbraw/zinc/27/09/10/187270910.db2.gz HEEHBZMOFRBSLZ-GFCCVEGCSA-N 1 3 236.359 1.873 10 0 BDAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1C[Si](C)(C)C ZINC000401837783 343733745 /nfs/dbraw/zinc/73/37/45/343733745.db2.gz FSRRWKNZONWOPL-UWVGGRQHSA-N 1 3 200.402 1.675 10 0 BDAEHO C[C@H]1C[C@@H](N)CC[N@H+]1C[Si](C)(C)C ZINC000401837783 343733747 /nfs/dbraw/zinc/73/37/47/343733747.db2.gz FSRRWKNZONWOPL-UWVGGRQHSA-N 1 3 200.402 1.675 10 0 BDAEHO C[NH2+]Cc1ccc(N(C)[C@H]2CCCN(C)C2)nc1 ZINC000053249084 187272174 /nfs/dbraw/zinc/27/21/74/187272174.db2.gz QEERCTSCJLBMMA-ZDUSSCGKSA-N 1 3 248.374 1.331 10 0 BDAEHO CC(C)N1CCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC000054135052 187272376 /nfs/dbraw/zinc/27/23/76/187272376.db2.gz VMUIXXRAGFONRZ-CYBMUJFWSA-N 1 3 225.380 1.155 10 0 BDAEHO [NH3+]CCCN1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409427989 343802480 /nfs/dbraw/zinc/80/24/80/343802480.db2.gz LNEXUDFHYZDEGV-VHSXEESVSA-N 1 3 218.291 1.702 10 0 BDAEHO NCCC[N@@H+]1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409427989 343802481 /nfs/dbraw/zinc/80/24/81/343802481.db2.gz LNEXUDFHYZDEGV-VHSXEESVSA-N 1 3 218.291 1.702 10 0 BDAEHO NCCC[N@H+]1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409427989 343802483 /nfs/dbraw/zinc/80/24/83/343802483.db2.gz LNEXUDFHYZDEGV-VHSXEESVSA-N 1 3 218.291 1.702 10 0 BDAEHO NC[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000044528011 343781498 /nfs/dbraw/zinc/78/14/98/343781498.db2.gz OXMDQHSBSBQRPV-LBPRGKRZSA-N 1 3 230.355 1.825 10 0 BDAEHO NC[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000044528011 343781501 /nfs/dbraw/zinc/78/15/01/343781501.db2.gz OXMDQHSBSBQRPV-LBPRGKRZSA-N 1 3 230.355 1.825 10 0 BDAEHO [NH3+]C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000044528011 343781502 /nfs/dbraw/zinc/78/15/02/343781502.db2.gz OXMDQHSBSBQRPV-LBPRGKRZSA-N 1 3 230.355 1.825 10 0 BDAEHO C1C[C@@H]2[C@H](C1)COCC[N@H+]2C1CCNCC1 ZINC000409430322 343807970 /nfs/dbraw/zinc/80/79/70/343807970.db2.gz VFRJYNBGLZBNRG-DGCLKSJQSA-N 1 3 224.348 1.239 10 0 BDAEHO C1C[C@@H]2[C@H](C1)COCC[N@@H+]2C1CCNCC1 ZINC000409430322 343807973 /nfs/dbraw/zinc/80/79/73/343807973.db2.gz VFRJYNBGLZBNRG-DGCLKSJQSA-N 1 3 224.348 1.239 10 0 BDAEHO C1C[C@@H]2[C@H](C1)COCCN2C1CC[NH2+]CC1 ZINC000409430322 343807975 /nfs/dbraw/zinc/80/79/75/343807975.db2.gz VFRJYNBGLZBNRG-DGCLKSJQSA-N 1 3 224.348 1.239 10 0 BDAEHO COC[C@]12C[N@H+](CCCN)C[C@@H]1CCCC2 ZINC000409435569 343834342 /nfs/dbraw/zinc/83/43/42/343834342.db2.gz VLJFTZXUAKUAJC-STQMWFEESA-N 1 3 226.364 1.474 10 0 BDAEHO COC[C@]12C[N@@H+](CCCN)C[C@@H]1CCCC2 ZINC000409435569 343834343 /nfs/dbraw/zinc/83/43/43/343834343.db2.gz VLJFTZXUAKUAJC-STQMWFEESA-N 1 3 226.364 1.474 10 0 BDAEHO CCC[C@@H]1C[N@@H+](C2CCNCC2)CC[C@@H]1O ZINC000409436405 343839447 /nfs/dbraw/zinc/83/94/47/343839447.db2.gz ZPSDJSYCRWWVGS-YPMHNXCESA-N 1 3 226.364 1.221 10 0 BDAEHO CCC[C@@H]1C[N@H+](C2CCNCC2)CC[C@@H]1O ZINC000409436405 343839449 /nfs/dbraw/zinc/83/94/49/343839449.db2.gz ZPSDJSYCRWWVGS-YPMHNXCESA-N 1 3 226.364 1.221 10 0 BDAEHO CCC[C@@H]1CN(C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409436405 343839452 /nfs/dbraw/zinc/83/94/52/343839452.db2.gz ZPSDJSYCRWWVGS-YPMHNXCESA-N 1 3 226.364 1.221 10 0 BDAEHO C1CC[C@@H]2COCC[N@H+](C3CCNCC3)[C@@H]2C1 ZINC000409435864 343839836 /nfs/dbraw/zinc/83/98/36/343839836.db2.gz WZNDWOSRBJCHED-TZMCWYRMSA-N 1 3 238.375 1.629 10 0 BDAEHO C1CC[C@@H]2COCC[N@@H+](C3CCNCC3)[C@@H]2C1 ZINC000409435864 343839837 /nfs/dbraw/zinc/83/98/37/343839837.db2.gz WZNDWOSRBJCHED-TZMCWYRMSA-N 1 3 238.375 1.629 10 0 BDAEHO C1CC[C@@H]2COCCN(C3CC[NH2+]CC3)[C@@H]2C1 ZINC000409435864 343839838 /nfs/dbraw/zinc/83/98/38/343839838.db2.gz WZNDWOSRBJCHED-TZMCWYRMSA-N 1 3 238.375 1.629 10 0 BDAEHO C1CC[C@H]2[C@H](C1)COCC[N@@H+]2C1CCNCC1 ZINC000409435863 343839949 /nfs/dbraw/zinc/83/99/49/343839949.db2.gz WZNDWOSRBJCHED-OCCSQVGLSA-N 1 3 238.375 1.629 10 0 BDAEHO C1CC[C@H]2[C@H](C1)COCC[N@H+]2C1CCNCC1 ZINC000409435863 343839950 /nfs/dbraw/zinc/83/99/50/343839950.db2.gz WZNDWOSRBJCHED-OCCSQVGLSA-N 1 3 238.375 1.629 10 0 BDAEHO C1CC[C@H]2[C@H](C1)COCCN2C1CC[NH2+]CC1 ZINC000409435863 343839951 /nfs/dbraw/zinc/83/99/51/343839951.db2.gz WZNDWOSRBJCHED-OCCSQVGLSA-N 1 3 238.375 1.629 10 0 BDAEHO CCOC[C@@H]1C[N@H+](CCCN)CC12CCC2 ZINC000409435872 343840013 /nfs/dbraw/zinc/84/00/13/343840013.db2.gz XAKOBKNJORRMEA-LBPRGKRZSA-N 1 3 226.364 1.474 10 0 BDAEHO CCOC[C@@H]1C[N@@H+](CCCN)CC12CCC2 ZINC000409435872 343840014 /nfs/dbraw/zinc/84/00/14/343840014.db2.gz XAKOBKNJORRMEA-LBPRGKRZSA-N 1 3 226.364 1.474 10 0 BDAEHO CCSCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)CN ZINC000600886927 344386231 /nfs/dbraw/zinc/38/62/31/344386231.db2.gz UPXORAGGYDOBHP-QWRGUYRKSA-N 1 3 232.393 1.178 10 0 BDAEHO CCSCC[N@H+]1C[C@@H](OC)C[C@@]1(C)CN ZINC000600886927 344386234 /nfs/dbraw/zinc/38/62/34/344386234.db2.gz UPXORAGGYDOBHP-QWRGUYRKSA-N 1 3 232.393 1.178 10 0 BDAEHO CC[NH2+]C[C@@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC000248253512 345092566 /nfs/dbraw/zinc/09/25/66/345092566.db2.gz NDTHGBXTJCOSAV-LSDHHAIUSA-N 1 3 248.370 1.479 10 0 BDAEHO CCC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000635004586 345207743 /nfs/dbraw/zinc/20/77/43/345207743.db2.gz PQYCPOACFDTEDR-RWMBFGLXSA-N 1 3 228.380 1.515 10 0 BDAEHO C[C@H]1OCC[C@H]1NCC[C@@H]1CCCC[N@@H+]1C ZINC000134547302 345697814 /nfs/dbraw/zinc/69/78/14/345697814.db2.gz DMLMAZVKVZTTOO-FRRDWIJNSA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@H]1OCC[C@H]1NCC[C@@H]1CCCC[N@H+]1C ZINC000134547302 345697815 /nfs/dbraw/zinc/69/78/15/345697815.db2.gz DMLMAZVKVZTTOO-FRRDWIJNSA-N 1 3 226.364 1.628 10 0 BDAEHO N[C@H](C[NH3+])C[C@@H]1CCc2ccccc2C1 ZINC000169191697 345839057 /nfs/dbraw/zinc/83/90/57/345839057.db2.gz OVTZQVVSWMGEDH-MFKMUULPSA-N 1 3 204.317 1.468 10 0 BDAEHO Cc1nccn1CC[N@@H+]1[C@H](C)CCC[C@@H]1CN ZINC000104159226 180254537 /nfs/dbraw/zinc/25/45/37/180254537.db2.gz AVSFVSXBAUYPKX-DGCLKSJQSA-N 1 3 236.363 1.393 10 0 BDAEHO Cc1nccn1CC[N@H+]1[C@H](C)CCC[C@@H]1CN ZINC000104159226 180254540 /nfs/dbraw/zinc/25/45/40/180254540.db2.gz AVSFVSXBAUYPKX-DGCLKSJQSA-N 1 3 236.363 1.393 10 0 BDAEHO C[C@H]1C[N@@H+](C2CCSCC2)CC[C@H]1N ZINC000251864481 362971547 /nfs/dbraw/zinc/97/15/47/362971547.db2.gz STQBOCVSJPVVMW-GXSJLCMTSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@H]1C[N@H+](C2CCSCC2)CC[C@H]1N ZINC000251864481 362971554 /nfs/dbraw/zinc/97/15/54/362971554.db2.gz STQBOCVSJPVVMW-GXSJLCMTSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@H]1CN(C2CCSCC2)CC[C@H]1[NH3+] ZINC000251864481 362971559 /nfs/dbraw/zinc/97/15/59/362971559.db2.gz STQBOCVSJPVVMW-GXSJLCMTSA-N 1 3 214.378 1.551 10 0 BDAEHO NCC[N@@H+]1CCCC[C@H](c2ccncc2)C1 ZINC000616603095 350789244 /nfs/dbraw/zinc/78/92/44/350789244.db2.gz AUGTXRDRIKUIFG-ZDUSSCGKSA-N 1 3 219.332 1.610 10 0 BDAEHO NCC[N@H+]1CCCC[C@H](c2ccncc2)C1 ZINC000616603095 350789246 /nfs/dbraw/zinc/78/92/46/350789246.db2.gz AUGTXRDRIKUIFG-ZDUSSCGKSA-N 1 3 219.332 1.610 10 0 BDAEHO CNc1ccccc1[C@@H]1CC[N@H+](CCN)C1 ZINC000616614868 350841406 /nfs/dbraw/zinc/84/14/06/350841406.db2.gz YRBLUJROQWBJAS-LLVKDONJSA-N 1 3 219.332 1.476 10 0 BDAEHO CNc1ccccc1[C@@H]1CC[N@@H+](CCN)C1 ZINC000616614868 350841409 /nfs/dbraw/zinc/84/14/09/350841409.db2.gz YRBLUJROQWBJAS-LLVKDONJSA-N 1 3 219.332 1.476 10 0 BDAEHO C[C@@H]1CSCCN1[C@H]1CC[C@H]1C[NH3+] ZINC000251847106 350904529 /nfs/dbraw/zinc/90/45/29/350904529.db2.gz RAJRFBCWWDRINF-UTLUCORTSA-N 1 3 200.351 1.161 10 0 BDAEHO CO[C@H](C)[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](N)C1 ZINC000252943370 350917273 /nfs/dbraw/zinc/91/72/73/350917273.db2.gz KMGBGAOPMDHDBA-LMLFDSFASA-N 1 3 200.326 1.079 10 0 BDAEHO CO[C@H](C)[C@H](C)[N@H+]1C[C@H](C)C[C@@H](N)C1 ZINC000252943370 350917274 /nfs/dbraw/zinc/91/72/74/350917274.db2.gz KMGBGAOPMDHDBA-LMLFDSFASA-N 1 3 200.326 1.079 10 0 BDAEHO NCC[N@@H+]1CCCC[C@@H](c2ccncc2)C1 ZINC000616627399 351094682 /nfs/dbraw/zinc/09/46/82/351094682.db2.gz AUGTXRDRIKUIFG-CYBMUJFWSA-N 1 3 219.332 1.610 10 0 BDAEHO NCC[N@H+]1CCCC[C@@H](c2ccncc2)C1 ZINC000616627399 351094685 /nfs/dbraw/zinc/09/46/85/351094685.db2.gz AUGTXRDRIKUIFG-CYBMUJFWSA-N 1 3 219.332 1.610 10 0 BDAEHO C[C@H]1C[C@H](NC(N)=[NH2+])CCN1Cc1ccccc1 ZINC000306830934 351145505 /nfs/dbraw/zinc/14/55/05/351145505.db2.gz LXXPHOVTEDRCFA-WCQYABFASA-N 1 3 246.358 1.523 10 0 BDAEHO C[NH2+]C[C@H](O)CCN(C)Cc1ccccc1 ZINC000307030674 351431706 /nfs/dbraw/zinc/43/17/06/351431706.db2.gz DSSHOVACAIPXKD-CYBMUJFWSA-N 1 3 222.332 1.089 10 0 BDAEHO C[C@H]1CC[C@H](C[NH3+])CN1C1CSC1 ZINC000307131046 351494950 /nfs/dbraw/zinc/49/49/50/351494950.db2.gz SPRPYGDTPGOQDZ-DTWKUNHWSA-N 1 3 200.351 1.161 10 0 BDAEHO COCCCNC[C@H]1C[NH2+]CC12CCC2 ZINC000725269335 538101744 /nfs/dbraw/zinc/10/17/44/538101744.db2.gz RLONJQBEJCGNBL-NSHDSACASA-N 1 3 212.337 1.002 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@@H]1CC[C@H]([NH3+])C1 ZINC000307587568 352661936 /nfs/dbraw/zinc/66/19/36/352661936.db2.gz UNPIRRPEEONHLY-YIZRAAEISA-N 1 3 200.351 1.350 10 0 BDAEHO CC1(O)CC[NH+](CCCN2CCCC2)CC1 ZINC000088023583 535196343 /nfs/dbraw/zinc/19/63/43/535196343.db2.gz VMRRCGPSOQOLMN-UHFFFAOYSA-N 1 3 226.364 1.319 10 0 BDAEHO C[C@@H]([NH3+])C1CCN(C2CSC2)CC1 ZINC000307500277 353079317 /nfs/dbraw/zinc/07/93/17/353079317.db2.gz MKRVIYYKMDCTBJ-MRVPVSSYSA-N 1 3 200.351 1.161 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@H]1CCCSC1 ZINC000307161227 188007837 /nfs/dbraw/zinc/00/78/37/188007837.db2.gz WWDSUDMXZZGSEY-SNVBAGLBSA-N 1 3 214.378 1.471 10 0 BDAEHO CN([C@@H]1CCSC1)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223119038 353137562 /nfs/dbraw/zinc/13/75/62/353137562.db2.gz AWAMYEUJIJIUQA-OPRDCNLKSA-N 1 3 200.351 1.304 10 0 BDAEHO CC1(C)[C@H]([NH3+])C[C@H]1N[C@@H]1CCSC1 ZINC000405448346 353419893 /nfs/dbraw/zinc/41/98/93/353419893.db2.gz FYTAMQUTCDPNGN-IWSPIJDZSA-N 1 3 200.351 1.207 10 0 BDAEHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H](O)C(C)(C)C ZINC000324568476 356400715 /nfs/dbraw/zinc/40/07/15/356400715.db2.gz VYXBVVQWWPFWRQ-IJLUTSLNSA-N 1 3 228.380 1.514 10 0 BDAEHO C[C@H]([NH2+]CC1(C)CCOCC1)[C@H]1CCCNC1 ZINC000582235692 356652169 /nfs/dbraw/zinc/65/21/69/356652169.db2.gz UZQZRQNLAIRHQQ-STQMWFEESA-N 1 3 240.391 1.781 10 0 BDAEHO [NH3+][C@H]1C=C(CCC(F)(F)Cl)CNC1 ZINC000675078738 538516873 /nfs/dbraw/zinc/51/68/73/538516873.db2.gz RWUAZKAQDNVYKN-ZETCQYMHSA-N 1 3 210.655 1.455 10 0 BDAEHO COCC1(C[NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000656200475 538784592 /nfs/dbraw/zinc/78/45/92/538784592.db2.gz NBIABZXUMDCAJO-RYUDHWBXSA-N 1 3 226.364 1.391 10 0 BDAEHO C[C@H](NCCOCC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000583687484 357119560 /nfs/dbraw/zinc/11/95/60/357119560.db2.gz FVHLOAPFJHFTEH-WCQYABFASA-N 1 3 226.364 1.391 10 0 BDAEHO C[C@H]([NH2+]CCOCC1CC1)[C@@H]1CCCNC1 ZINC000583687484 357119564 /nfs/dbraw/zinc/11/95/64/357119564.db2.gz FVHLOAPFJHFTEH-WCQYABFASA-N 1 3 226.364 1.391 10 0 BDAEHO C[C@H](NCCOCC1CC1)[C@H]1CCC[NH2+]C1 ZINC000583687482 357120138 /nfs/dbraw/zinc/12/01/38/357120138.db2.gz FVHLOAPFJHFTEH-AAEUAGOBSA-N 1 3 226.364 1.391 10 0 BDAEHO C[C@H]([NH2+]CCOCC1CC1)[C@H]1CCCNC1 ZINC000583687482 357120142 /nfs/dbraw/zinc/12/01/42/357120142.db2.gz FVHLOAPFJHFTEH-AAEUAGOBSA-N 1 3 226.364 1.391 10 0 BDAEHO C[C@@]1(O)CCCN(CCC[NH+]2CCCC2)CC1 ZINC000230379318 357532459 /nfs/dbraw/zinc/53/24/59/357532459.db2.gz UFNIUXWFBLWGQR-CQSZACIVSA-N 1 3 240.391 1.709 10 0 BDAEHO COC[C@H](CCC[NH3+])N[C@H](C)c1ccc(C)o1 ZINC000234696174 357822719 /nfs/dbraw/zinc/82/27/19/357822719.db2.gz JGINEWINQCGPLN-NEPJUHHUSA-N 1 3 240.347 1.993 10 0 BDAEHO CC[N@@H+]1CC[C@@](CN)(c2ccccc2)C1 ZINC000584634017 358317326 /nfs/dbraw/zinc/31/73/26/358317326.db2.gz YEDZOISMUGLCHF-ZDUSSCGKSA-N 1 3 204.317 1.609 10 0 BDAEHO CC[N@H+]1CC[C@@](CN)(c2ccccc2)C1 ZINC000584634017 358317330 /nfs/dbraw/zinc/31/73/30/358317330.db2.gz YEDZOISMUGLCHF-ZDUSSCGKSA-N 1 3 204.317 1.609 10 0 BDAEHO CCN1CC[C@@](C[NH3+])(c2ccccc2)C1 ZINC000584634017 358317333 /nfs/dbraw/zinc/31/73/33/358317333.db2.gz YEDZOISMUGLCHF-ZDUSSCGKSA-N 1 3 204.317 1.609 10 0 BDAEHO CCN1CCC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000086403460 358967951 /nfs/dbraw/zinc/96/79/51/358967951.db2.gz FTRAGLXJAYIQHV-XQQFMLRXSA-N 1 3 225.380 1.330 10 0 BDAEHO C1C[C@H](N[C@@H]2CCC[NH2+]CC2)CS1 ZINC000231347017 359859874 /nfs/dbraw/zinc/85/98/74/359859874.db2.gz LZWRIFCEMDEFLV-ZJUUUORDSA-N 1 3 200.351 1.224 10 0 BDAEHO C1C[C@H]([NH2+][C@@H]2CCCNCC2)CS1 ZINC000231347017 359859876 /nfs/dbraw/zinc/85/98/76/359859876.db2.gz LZWRIFCEMDEFLV-ZJUUUORDSA-N 1 3 200.351 1.224 10 0 BDAEHO CCC[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)OCC ZINC000629515056 361112461 /nfs/dbraw/zinc/11/24/61/361112461.db2.gz PZZBKGYBMCVHCU-YNEHKIRRSA-N 1 3 228.380 1.779 10 0 BDAEHO C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000629550541 361442489 /nfs/dbraw/zinc/44/24/89/361442489.db2.gz ZCDHDJWSMSSQET-XYJRDEOASA-N 1 3 224.348 1.142 10 0 BDAEHO CO[C@H]1CN(CCC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630369878 364087349 /nfs/dbraw/zinc/08/73/49/364087349.db2.gz XGHBHAXXZSOAJS-OLZOCXBDSA-N 1 3 226.364 1.615 10 0 BDAEHO [NH3+]CC1(CN2CCCSCC2)CCCC1 ZINC000051284197 181359626 /nfs/dbraw/zinc/35/96/26/181359626.db2.gz DHAMFXAIOFMGFW-UHFFFAOYSA-N 1 3 228.405 1.944 10 0 BDAEHO [NH3+]CCCNCCSc1ccccc1 ZINC000027211648 181383937 /nfs/dbraw/zinc/38/39/37/181383937.db2.gz XVWMTUURNMVNJE-UHFFFAOYSA-N 1 3 210.346 1.717 10 0 BDAEHO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCCNC1 ZINC000581185029 367285811 /nfs/dbraw/zinc/28/58/11/367285811.db2.gz DETHAZOXOVDSLD-RKQHYHRCSA-N 1 3 240.391 1.778 10 0 BDAEHO C[N@H+](C1CCC1)[C@@H]1CC2(CC[C@H]1N)OCCO2 ZINC000252979260 368176994 /nfs/dbraw/zinc/17/69/94/368176994.db2.gz HATBHBIKZPYZQK-VXGBXAGGSA-N 1 3 240.347 1.094 10 0 BDAEHO C[N@@H+](C1CCC1)[C@@H]1CC2(CC[C@H]1N)OCCO2 ZINC000252979260 368177000 /nfs/dbraw/zinc/17/70/00/368177000.db2.gz HATBHBIKZPYZQK-VXGBXAGGSA-N 1 3 240.347 1.094 10 0 BDAEHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)[C@H](C)O ZINC000567639406 326236714 /nfs/dbraw/zinc/23/67/14/326236714.db2.gz NDCPTJXPKQGRSZ-RHYQMDGZSA-N 1 3 214.353 1.124 10 0 BDAEHO C[C@H](CN1CCS[C@@H](C)[C@@H]1C)C(N)=[NH2+] ZINC000132440290 371822180 /nfs/dbraw/zinc/82/21/80/371822180.db2.gz VKMLZBJAIIZLSM-VGMNWLOBSA-N 1 3 215.366 1.384 10 0 BDAEHO C([NH2+][C@H]1CCCNCC1)[C@H]1CCSC1 ZINC000228555321 372047009 /nfs/dbraw/zinc/04/70/09/372047009.db2.gz WXOCJGMGMVHACD-MNOVXSKESA-N 1 3 214.378 1.471 10 0 BDAEHO C[C@@H](CNC1=[NH+][C@H](C)CCS1)N(C)C ZINC000133595005 372080923 /nfs/dbraw/zinc/08/09/23/372080923.db2.gz DTGHJEQRGYPRGI-BDAKNGLRSA-N 1 3 215.366 1.408 10 0 BDAEHO CO[C@H](C)[C@H](C)[N@H+]1C[C@H](N)C[C@H](C)C1 ZINC000229408157 372149888 /nfs/dbraw/zinc/14/98/88/372149888.db2.gz KMGBGAOPMDHDBA-UKKRHICBSA-N 1 3 200.326 1.079 10 0 BDAEHO CO[C@H](C)[C@H](C)[N@@H+]1C[C@H](N)C[C@H](C)C1 ZINC000229408157 372149891 /nfs/dbraw/zinc/14/98/91/372149891.db2.gz KMGBGAOPMDHDBA-UKKRHICBSA-N 1 3 200.326 1.079 10 0 BDAEHO C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1CN ZINC000631836720 372625003 /nfs/dbraw/zinc/62/50/03/372625003.db2.gz FTKHCKMVVAAXRH-FRRDWIJNSA-N 1 3 226.364 1.472 10 0 BDAEHO C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1CN ZINC000631836720 372625007 /nfs/dbraw/zinc/62/50/07/372625007.db2.gz FTKHCKMVVAAXRH-FRRDWIJNSA-N 1 3 226.364 1.472 10 0 BDAEHO CCCCOCCN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842238 372641550 /nfs/dbraw/zinc/64/15/50/372641550.db2.gz XKSLLMTXYADUND-NEPJUHHUSA-N 1 3 214.353 1.330 10 0 BDAEHO OCCCNCCC[NH+]1CCCCCC1 ZINC000049478027 183056105 /nfs/dbraw/zinc/05/61/05/183056105.db2.gz KOHUEGVYUNQCQX-UHFFFAOYSA-N 1 3 214.353 1.225 10 0 BDAEHO OCCC[NH2+]CCCN1CCCCCC1 ZINC000049478027 183056107 /nfs/dbraw/zinc/05/61/07/183056107.db2.gz KOHUEGVYUNQCQX-UHFFFAOYSA-N 1 3 214.353 1.225 10 0 BDAEHO OCCC[C@H]1CCCN1CCC[NH+]1CCCC1 ZINC000052762385 183065159 /nfs/dbraw/zinc/06/51/59/183065159.db2.gz NKJYLFXYMWPOEB-CQSZACIVSA-N 1 3 240.391 1.709 10 0 BDAEHO OCCNCCC[NH2+]Cc1ccc(Cl)cc1 ZINC000013732653 183078228 /nfs/dbraw/zinc/07/82/28/183078228.db2.gz WDDINUZRTFGNPJ-UHFFFAOYSA-N 1 3 242.750 1.402 10 0 BDAEHO CCCN1CCN([C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000019405917 169205527 /nfs/dbraw/zinc/20/55/27/169205527.db2.gz QFEWKKWUCUACPO-STQMWFEESA-N 1 3 225.380 1.284 10 0 BDAEHO CCC[NH2+][C@H](C)CN1CCN(C)[C@H](CC)C1 ZINC000082478001 169286085 /nfs/dbraw/zinc/28/60/85/169286085.db2.gz BUNBGMVQOCTYCO-CHWSQXEVSA-N 1 3 227.396 1.401 10 0 BDAEHO CCC[NH2+][C@H](C)[C@H]1CCCN(CCN(C)C)C1 ZINC000104421694 169287032 /nfs/dbraw/zinc/28/70/32/169287032.db2.gz OKECURDVGIMDIX-KGLIPLIRSA-N 1 3 241.423 1.648 10 0 BDAEHO CCC[NH2+]C[C@](C)(CC)CN(C)CCN(C)C ZINC000104189025 169264610 /nfs/dbraw/zinc/26/46/10/169264610.db2.gz CPOJPKGCHUOJPY-AWEZNQCLSA-N 1 3 243.439 1.896 10 0 BDAEHO CCC[NH2+][C@@H]1CCCC[C@H]1N(C)CCN(C)C ZINC000104202024 169282316 /nfs/dbraw/zinc/28/23/16/169282316.db2.gz VCLFWHLYQRHFMY-ZIAGYGMSSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+][C@H]1CCN(C2CCOCC2)C[C@@H]1C ZINC000049711413 169291435 /nfs/dbraw/zinc/29/14/35/169291435.db2.gz OLCYMYXCSWMMLW-JSGCOSHPSA-N 1 3 240.391 1.875 10 0 BDAEHO C[C@H]([C@@H]1CCCO1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000309394624 383933902 /nfs/dbraw/zinc/93/39/02/383933902.db2.gz IGBZZQUKPCOATQ-FVCCEPFGSA-N 1 3 226.364 1.471 10 0 BDAEHO C[C@H]([C@@H]1CCCO1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000309394624 383933904 /nfs/dbraw/zinc/93/39/04/383933904.db2.gz IGBZZQUKPCOATQ-FVCCEPFGSA-N 1 3 226.364 1.471 10 0 BDAEHO O[C@@H]1CCCC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000168746381 384306547 /nfs/dbraw/zinc/30/65/47/384306547.db2.gz UROPBMCZFOKPNX-IJLUTSLNSA-N 1 3 212.337 1.022 10 0 BDAEHO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000168746381 384306556 /nfs/dbraw/zinc/30/65/56/384306556.db2.gz UROPBMCZFOKPNX-IJLUTSLNSA-N 1 3 212.337 1.022 10 0 BDAEHO CCc1ccc(C[NH2+]CCCNCCO)cc1 ZINC000013732683 384373370 /nfs/dbraw/zinc/37/33/70/384373370.db2.gz QDHVTWZIYNHJOZ-UHFFFAOYSA-N 1 3 236.359 1.311 10 0 BDAEHO COC[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)C(C)C ZINC000084222772 384379107 /nfs/dbraw/zinc/37/91/07/384379107.db2.gz BXTGYDZMDGHJEQ-UTUOFQBUSA-N 1 3 214.353 1.374 10 0 BDAEHO [NH3+][C@H]1CC[C@H](NCc2ccnc(Cl)n2)CC1 ZINC000100267996 384628728 /nfs/dbraw/zinc/62/87/28/384628728.db2.gz SSPBJOOBDAZPHR-DTORHVGOSA-N 1 3 240.738 1.490 10 0 BDAEHO [NH3+][C@H]1CC[C@H](NCc2ccc(Cl)nn2)CC1 ZINC000100268004 384631963 /nfs/dbraw/zinc/63/19/63/384631963.db2.gz JREKBTAHPHKVRN-DTORHVGOSA-N 1 3 240.738 1.490 10 0 BDAEHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)NC ZINC000054071608 384726462 /nfs/dbraw/zinc/72/64/62/384726462.db2.gz RMNCPBVKYNJEOX-VXGBXAGGSA-N 1 3 243.395 1.221 10 0 BDAEHO C[C@@H](C[NH3+])Nc1ccnc2ccccc21 ZINC000082576312 384772584 /nfs/dbraw/zinc/77/25/84/384772584.db2.gz KIEOUMPFNGJDLW-VIFPVBQESA-N 1 3 201.273 1.994 10 0 BDAEHO c1ccc([C@@H]2C[C@H]2CNC[C@@H]2CC[NH2+]C2)cc1 ZINC000398286185 384887864 /nfs/dbraw/zinc/88/78/64/384887864.db2.gz IVPNYIAMZJLUAI-SNPRPXQTSA-N 1 3 230.355 1.989 10 0 BDAEHO COc1cccc(CNCC[C@H](C)[NH3+])c1 ZINC000258779361 384943475 /nfs/dbraw/zinc/94/34/75/384943475.db2.gz OXMOVSIDHNVZGK-JTQLQIEISA-N 1 3 208.305 1.522 10 0 BDAEHO C[C@@H]1CNCC[N@@H+]([C@@H]2CCSC2)C1 ZINC000258093461 385537343 /nfs/dbraw/zinc/53/73/43/385537343.db2.gz KJGDTWZLCFUXGF-NXEZZACHSA-N 1 3 200.351 1.033 10 0 BDAEHO C[C@@H]1CNCC[N@H+]([C@@H]2CCSC2)C1 ZINC000258093461 385537348 /nfs/dbraw/zinc/53/73/48/385537348.db2.gz KJGDTWZLCFUXGF-NXEZZACHSA-N 1 3 200.351 1.033 10 0 BDAEHO CCCC(CCC)[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000336692016 385730643 /nfs/dbraw/zinc/73/06/43/385730643.db2.gz XFCDSVAMGWKRQU-JQWIXIFHSA-N 1 3 214.353 1.125 10 0 BDAEHO CCCC(CCC)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000336692016 385730645 /nfs/dbraw/zinc/73/06/45/385730645.db2.gz XFCDSVAMGWKRQU-JQWIXIFHSA-N 1 3 214.353 1.125 10 0 BDAEHO CCCC(CCC)[NH2+]C[C@H]1CNC[C@H]1O ZINC000336692018 385732159 /nfs/dbraw/zinc/73/21/59/385732159.db2.gz XFCDSVAMGWKRQU-ZYHUDNBSSA-N 1 3 214.353 1.125 10 0 BDAEHO CCCC(CCC)NC[C@H]1C[NH2+]C[C@H]1O ZINC000336692018 385732165 /nfs/dbraw/zinc/73/21/65/385732165.db2.gz XFCDSVAMGWKRQU-ZYHUDNBSSA-N 1 3 214.353 1.125 10 0 BDAEHO FC1(F)CCC[C@@H](C[NH2+][C@@H]2CCNC2)C1 ZINC000334787599 386848919 /nfs/dbraw/zinc/84/89/19/386848919.db2.gz XCLWPJWHOFZYAK-NXEZZACHSA-N 1 3 218.291 1.763 10 0 BDAEHO N[C@H](CCC[NH3+])c1c(F)cc(F)cc1F ZINC000575439445 387123402 /nfs/dbraw/zinc/12/34/02/387123402.db2.gz LVLMWSKVXBOLQN-SECBINFHSA-N 1 3 218.222 1.843 10 0 BDAEHO COc1ccc(F)cc1[C@@H](N)CCCC[NH3+] ZINC000575439965 387126048 /nfs/dbraw/zinc/12/60/48/387126048.db2.gz ZSCMCBDGHKTTLS-NSHDSACASA-N 1 3 226.295 1.963 10 0 BDAEHO CCN1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2N)C1 ZINC000575601546 387359904 /nfs/dbraw/zinc/35/99/04/387359904.db2.gz HKRGHGVKRMLJMQ-YNEHKIRRSA-N 1 3 225.380 1.330 10 0 BDAEHO CCN1CCC[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000575601546 387359906 /nfs/dbraw/zinc/35/99/06/387359906.db2.gz HKRGHGVKRMLJMQ-YNEHKIRRSA-N 1 3 225.380 1.330 10 0 BDAEHO [NH3+][C@H]1CCN([C@@H]2CCCSCC2)C1 ZINC000575513256 387385493 /nfs/dbraw/zinc/38/54/93/387385493.db2.gz HMCOSQFOOUKMLN-VHSXEESVSA-N 1 3 200.351 1.305 10 0 BDAEHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSC2)CCN1 ZINC000575513201 387386141 /nfs/dbraw/zinc/38/61/41/387386141.db2.gz BNEMMMBJEIODLS-KXUCPTDWSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@@H]1C[C@@H](N[C@@H]2CCSC2)CC[NH2+]1 ZINC000575513201 387386143 /nfs/dbraw/zinc/38/61/43/387386143.db2.gz BNEMMMBJEIODLS-KXUCPTDWSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@@H]1CC[C@H](NC2CC([NH3+])C2)CS1 ZINC000575535232 387574528 /nfs/dbraw/zinc/57/45/28/387574528.db2.gz RUKYQHDISYENCR-RJQCTPFPSA-N 1 3 200.351 1.350 10 0 BDAEHO C[C@@H]1CC[C@H]([NH2+]C2CC(N)C2)CS1 ZINC000575535232 387574533 /nfs/dbraw/zinc/57/45/33/387574533.db2.gz RUKYQHDISYENCR-RJQCTPFPSA-N 1 3 200.351 1.350 10 0 BDAEHO C[C@H]([NH2+]CC[C@H]1CCCO1)[C@H]1CCCNC1 ZINC000643459712 387849301 /nfs/dbraw/zinc/84/93/01/387849301.db2.gz USYGYBLMEVSLLE-RWMBFGLXSA-N 1 3 226.364 1.533 10 0 BDAEHO CCC[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)OC ZINC000643491490 387893405 /nfs/dbraw/zinc/89/34/05/387893405.db2.gz NBIZAHYWVGJOTL-RWMBFGLXSA-N 1 3 228.380 1.779 10 0 BDAEHO C[C@H](NCCC1(F)CCC1)[C@@H]1CC[NH2+]C1 ZINC000423113900 387897009 /nfs/dbraw/zinc/89/70/09/387897009.db2.gz UWYYKKNMMNHPKP-WDEREUQCSA-N 1 3 214.328 1.856 10 0 BDAEHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCCNCC2)[C@H](C)O1 ZINC000423174927 387961493 /nfs/dbraw/zinc/96/14/93/387961493.db2.gz DCLZDNICVXOIGW-XQHKEYJVSA-N 1 3 226.364 1.532 10 0 BDAEHO COCC[C@H](COC)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000519767285 256659667 /nfs/dbraw/zinc/65/96/67/256659667.db2.gz YKIJJXBEVXQYLO-RWMBFGLXSA-N 1 3 244.379 1.016 10 0 BDAEHO COCC[C@H](COC)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000519767285 256659668 /nfs/dbraw/zinc/65/96/68/256659668.db2.gz YKIJJXBEVXQYLO-RWMBFGLXSA-N 1 3 244.379 1.016 10 0 BDAEHO CC1(C)SC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN ZINC000393835779 388444079 /nfs/dbraw/zinc/44/40/79/388444079.db2.gz ODTQRYQRTOAUTJ-VWYCJHECSA-N 1 3 228.405 1.988 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000393835779 388444082 /nfs/dbraw/zinc/44/40/82/388444082.db2.gz ODTQRYQRTOAUTJ-VWYCJHECSA-N 1 3 228.405 1.988 10 0 BDAEHO C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)CN(C)C ZINC000336720618 388468065 /nfs/dbraw/zinc/46/80/65/388468065.db2.gz SFPHKMCQZDSLDO-LPWJVIDDSA-N 1 3 240.391 1.587 10 0 BDAEHO CC(C)(C)C[C@@H](CO)N[C@H]1CCC[NH2+]CC1 ZINC000393481039 388431553 /nfs/dbraw/zinc/43/15/53/388431553.db2.gz VBECSFHULZNLKD-RYUDHWBXSA-N 1 3 228.380 1.515 10 0 BDAEHO CC(C)(C)C[C@@H](CO)[NH2+][C@H]1CCCNCC1 ZINC000393481039 388431555 /nfs/dbraw/zinc/43/15/55/388431555.db2.gz VBECSFHULZNLKD-RYUDHWBXSA-N 1 3 228.380 1.515 10 0 BDAEHO CC[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000517024010 388533574 /nfs/dbraw/zinc/53/35/74/388533574.db2.gz NFKPRWYLBIBPCO-XQQFMLRXSA-N 1 3 228.380 1.373 10 0 BDAEHO [NH3+][C@@H]1CO[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000575471502 388850528 /nfs/dbraw/zinc/85/05/28/388850528.db2.gz AJNRCPPSJUFWFV-GJZGRUSLSA-N 1 3 246.354 1.769 10 0 BDAEHO C[C@@H]([NH2+]CCc1ccco1)[C@@H]1CCCNC1 ZINC000564825402 388891181 /nfs/dbraw/zinc/89/11/81/388891181.db2.gz CYCNMEPNJVVOBH-VXGBXAGGSA-N 1 3 222.332 1.800 10 0 BDAEHO C[C@@H](NCCc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000564825402 388891176 /nfs/dbraw/zinc/89/11/76/388891176.db2.gz CYCNMEPNJVVOBH-VXGBXAGGSA-N 1 3 222.332 1.800 10 0 BDAEHO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@H]1CCCNC1 ZINC000564825724 388891309 /nfs/dbraw/zinc/89/13/09/388891309.db2.gz DRQSVHQVAFJMMA-XQQFMLRXSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@@H]1C[C@H]([NH3+])CCN1CC1CSC1 ZINC000575487119 388874587 /nfs/dbraw/zinc/87/45/87/388874587.db2.gz KZISQSMGLYVLNU-PSASIEDQSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC1CSC1 ZINC000575487119 388874590 /nfs/dbraw/zinc/87/45/90/388874590.db2.gz KZISQSMGLYVLNU-PSASIEDQSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@H](N)CC[N@H+]1CC1CSC1 ZINC000575487119 388874592 /nfs/dbraw/zinc/87/45/92/388874592.db2.gz KZISQSMGLYVLNU-PSASIEDQSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H](NCCN1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400591417 533394647 /nfs/dbraw/zinc/39/46/47/533394647.db2.gz UOOYVGNVOUEOQJ-CHWSQXEVSA-N 1 3 225.380 1.060 10 0 BDAEHO C[C@@H](NCCOC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000400432966 533397822 /nfs/dbraw/zinc/39/78/22/533397822.db2.gz LSPAABRXRKLFRU-SFYZADRCSA-N 1 3 226.242 1.110 10 0 BDAEHO COc1ccc(CCN[C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400332649 533501505 /nfs/dbraw/zinc/50/15/05/533501505.db2.gz FERAYDFBSGGPIR-OCCSQVGLSA-N 1 3 248.370 1.825 10 0 BDAEHO CC(C)CCOCCN[C@H]1CCC[NH2+]CC1 ZINC000168743829 134247909 /nfs/dbraw/zinc/24/79/09/134247909.db2.gz ZWZMHTLNWLBBJT-ZDUSSCGKSA-N 1 3 228.380 1.781 10 0 BDAEHO CCC1(C[NH2+]C[C@H]2CCCNC2)CCOCC1 ZINC000261548559 135187934 /nfs/dbraw/zinc/18/79/34/135187934.db2.gz JQTQWTUYBXWIDR-ZDUSSCGKSA-N 1 3 240.391 1.782 10 0 BDAEHO OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000261599025 135237626 /nfs/dbraw/zinc/23/76/26/135237626.db2.gz ZRXLDCMZQYVEOU-RWMBFGLXSA-N 1 3 226.364 1.269 10 0 BDAEHO CCCC1CCC(NC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000262117599 135279455 /nfs/dbraw/zinc/27/94/55/135279455.db2.gz LKJVEDCFAMJIJM-FKZOYECMSA-N 1 3 240.391 1.515 10 0 BDAEHO CCCC1CCC([NH2+]C[C@H]2CNC[C@H]2O)CC1 ZINC000262117599 135279456 /nfs/dbraw/zinc/27/94/56/135279456.db2.gz LKJVEDCFAMJIJM-FKZOYECMSA-N 1 3 240.391 1.515 10 0 BDAEHO C[C@H](c1ccccc1)[C@H](C)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263261330 135343458 /nfs/dbraw/zinc/34/34/58/135343458.db2.gz QXWUINBXPYMCDK-JURCDPSOSA-N 1 3 248.370 1.349 10 0 BDAEHO C[C@H](NCCc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000564825401 398045841 /nfs/dbraw/zinc/04/58/41/398045841.db2.gz CYCNMEPNJVVOBH-RYUDHWBXSA-N 1 3 222.332 1.800 10 0 BDAEHO C[C@H]([NH2+]CCc1ccco1)[C@H]1CCCNC1 ZINC000564825401 398045843 /nfs/dbraw/zinc/04/58/43/398045843.db2.gz CYCNMEPNJVVOBH-RYUDHWBXSA-N 1 3 222.332 1.800 10 0 BDAEHO CC(C)C[NH2+]C[C@H]1CC[C@H](CN(C)C2CC2)O1 ZINC000052445582 167008459 /nfs/dbraw/zinc/00/84/59/167008459.db2.gz VEUPOYYPVVJXHX-ZIAGYGMSSA-N 1 3 240.391 1.874 10 0 BDAEHO FC(F)(F)OCCN[C@@H]1CCC[NH2+]CC1 ZINC000398247376 322867591 /nfs/dbraw/zinc/86/75/91/322867591.db2.gz IXOADXLUYZEVMY-MRVPVSSYSA-N 1 3 226.242 1.255 10 0 BDAEHO Cc1cc(CNCC[C@@H](C)[NH3+])ccc1F ZINC000258825536 322876666 /nfs/dbraw/zinc/87/66/66/322876666.db2.gz URCFZUDJFIEXSO-SNVBAGLBSA-N 1 3 210.296 1.961 10 0 BDAEHO CO[C@@H](CN(C)[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662266533 409567002 /nfs/dbraw/zinc/56/70/02/409567002.db2.gz IDGPJHNQIJZBLF-KGLIPLIRSA-N 1 3 240.391 1.875 10 0 BDAEHO OCC1(C[NH2+][C@@H]2CCCNCC2)CCCCC1 ZINC000129358256 410372248 /nfs/dbraw/zinc/37/22/48/410372248.db2.gz SEYVGWBPRCZZAE-CYBMUJFWSA-N 1 3 240.391 1.661 10 0 BDAEHO OCC1(CN[C@@H]2CCC[NH2+]CC2)CCCCC1 ZINC000129358256 410372255 /nfs/dbraw/zinc/37/22/55/410372255.db2.gz SEYVGWBPRCZZAE-CYBMUJFWSA-N 1 3 240.391 1.661 10 0 BDAEHO CC[C@@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000040809188 410895045 /nfs/dbraw/zinc/89/50/45/410895045.db2.gz UFVIRDAWUUETSN-OLZOCXBDSA-N 1 3 249.358 1.143 10 0 BDAEHO CC(C)C[NH2+]C[C@H]1CCN([C@@H]2CCN(C)C2)C1 ZINC000053031645 167008417 /nfs/dbraw/zinc/00/84/17/167008417.db2.gz DPDNNBSOIIQCAC-ZIAGYGMSSA-N 1 3 239.407 1.258 10 0 BDAEHO CC(C)[NH2+]C[C@@H]1CCCN([C@@H]2CCN(C)C2)C1 ZINC000063137003 167110774 /nfs/dbraw/zinc/11/07/74/167110774.db2.gz PSUYXCOOATUWAP-UONOGXRCSA-N 1 3 239.407 1.401 10 0 BDAEHO C[C@H](c1ccncc1)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000310529299 411240892 /nfs/dbraw/zinc/24/08/92/411240892.db2.gz PMPMTZOGJQEVEJ-CABNGKKXSA-N 1 3 231.343 1.812 10 0 BDAEHO C[C@H](CNC[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656781974 411357645 /nfs/dbraw/zinc/35/76/45/411357645.db2.gz BKQKIJRHCFRMMZ-CHWSQXEVSA-N 1 3 233.359 1.774 10 0 BDAEHO C[C@H](C[NH2+]C[C@@H]1CCCNC1)c1ccccn1 ZINC000656781974 411357649 /nfs/dbraw/zinc/35/76/49/411357649.db2.gz BKQKIJRHCFRMMZ-CHWSQXEVSA-N 1 3 233.359 1.774 10 0 BDAEHO Cc1cnccc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000129739375 411386524 /nfs/dbraw/zinc/38/65/24/411386524.db2.gz ITYZLKHOOLOZND-WCQYABFASA-N 1 3 219.332 1.607 10 0 BDAEHO CC[NH2+]CC[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055083089 170117245 /nfs/dbraw/zinc/11/72/45/170117245.db2.gz ZGBDSAKQUWIZKT-AWEZNQCLSA-N 1 3 241.423 1.648 10 0 BDAEHO CC[NH2+]C[C@H]1CCN(C2CCOCC2)C1 ZINC000053031285 170122669 /nfs/dbraw/zinc/12/26/69/170122669.db2.gz CFBJVFNBPHUQQR-LLVKDONJSA-N 1 3 212.337 1.097 10 0 BDAEHO CC[NH2+]C[C@]1(CN2CCC(C)CC2)CCOC1 ZINC000051207918 170123329 /nfs/dbraw/zinc/12/33/29/170123329.db2.gz HMFXKFWCVPOFFW-AWEZNQCLSA-N 1 3 240.391 1.735 10 0 BDAEHO CCNC[C@]1(C[NH+]2CCC(C)CC2)CCOC1 ZINC000051207918 170123330 /nfs/dbraw/zinc/12/33/30/170123330.db2.gz HMFXKFWCVPOFFW-AWEZNQCLSA-N 1 3 240.391 1.735 10 0 BDAEHO CC[NH2+][C@@H]1CCC[C@H]1N1CCCN(C)CC1 ZINC000043818335 170151294 /nfs/dbraw/zinc/15/12/94/170151294.db2.gz HLTLZXRCLWOTFQ-CHWSQXEVSA-N 1 3 225.380 1.155 10 0 BDAEHO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1CN(CC)CCO ZINC000053869611 170168475 /nfs/dbraw/zinc/16/84/75/170168475.db2.gz RUKKHNHUGFUSGS-MCIONIFRSA-N 1 3 242.407 1.715 10 0 BDAEHO CC[C@@H]([NH3+])[C@H](C)N1CCN(C2CCCC2)CC1 ZINC000052061241 170867897 /nfs/dbraw/zinc/86/78/97/170867897.db2.gz AJCYFJDBHJRKPU-GXTWGEPZSA-N 1 3 239.407 1.672 10 0 BDAEHO CC[C@@H]1CCN(C[C@@H]2CCOC2)CC[NH2+]1 ZINC000061148131 171012901 /nfs/dbraw/zinc/01/29/01/171012901.db2.gz LLMXAOLKIZQPRA-NWDGAFQWSA-N 1 3 212.337 1.097 10 0 BDAEHO CC[C@@H]1CC[N@H+](C[C@@H]2CCOC2)CCN1 ZINC000061148131 171012904 /nfs/dbraw/zinc/01/29/04/171012904.db2.gz LLMXAOLKIZQPRA-NWDGAFQWSA-N 1 3 212.337 1.097 10 0 BDAEHO CC[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)CCN1 ZINC000061148131 171012905 /nfs/dbraw/zinc/01/29/05/171012905.db2.gz LLMXAOLKIZQPRA-NWDGAFQWSA-N 1 3 212.337 1.097 10 0 BDAEHO CC[C@@H]1CC[C@H]([NH3+])[C@H](CN2CCCOCC2)C1 ZINC000061934657 171055613 /nfs/dbraw/zinc/05/56/13/171055613.db2.gz JPONOIHHCWUBKT-RDBSUJKOSA-N 1 3 240.391 1.862 10 0 BDAEHO CC[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)CCN(C)C)C1 ZINC000104188852 171056807 /nfs/dbraw/zinc/05/68/07/171056807.db2.gz OQDIOFANSXSMHG-MGPQQGTHSA-N 1 3 241.423 1.633 10 0 BDAEHO CC[C@@H]1CN(CC2CCC([NH3+])CC2)CCO1 ZINC000037482481 171079771 /nfs/dbraw/zinc/07/97/71/171079771.db2.gz ZCYJLKRVASPLHC-WXRRBKDZSA-N 1 3 226.364 1.615 10 0 BDAEHO CC[C@@](C)(C[NH3+])N1CCN(C(C)(C)C)CC1 ZINC000042461715 171166702 /nfs/dbraw/zinc/16/67/02/171166702.db2.gz HKLVCEDZMKCKCO-ZDUSSCGKSA-N 1 3 227.396 1.530 10 0 BDAEHO CC[C@H](C)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000055066829 171319218 /nfs/dbraw/zinc/31/92/18/171319218.db2.gz DOHHJNPVDPVRIO-QWHCGFSZSA-N 1 3 225.380 1.155 10 0 BDAEHO C[C@H](NCCO[C@@H]1CC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000665243909 412186605 /nfs/dbraw/zinc/18/66/05/412186605.db2.gz AUUBCYMYSPNWSV-HBNTYKKESA-N 1 3 248.317 1.388 10 0 BDAEHO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@@H]1CCCNC1 ZINC000665243909 412186610 /nfs/dbraw/zinc/18/66/10/412186610.db2.gz AUUBCYMYSPNWSV-HBNTYKKESA-N 1 3 248.317 1.388 10 0 BDAEHO C[C@@H](NC[C@H]1CCC[C@@H](C)O1)[C@@H]1CCC[NH2+]C1 ZINC000665265028 412209349 /nfs/dbraw/zinc/20/93/49/412209349.db2.gz OANJAPWRFZWQRV-AAVRWANBSA-N 1 3 240.391 1.922 10 0 BDAEHO C[C@@H](NC[C@H]1CCC[C@@H](C)O1)[C@H]1CCC[NH2+]C1 ZINC000665265030 412209367 /nfs/dbraw/zinc/20/93/67/412209367.db2.gz OANJAPWRFZWQRV-YIYPIFLZSA-N 1 3 240.391 1.922 10 0 BDAEHO C[NH2+]C[C@H](C)Nc1ccnc2ccccc21 ZINC000663281569 412409176 /nfs/dbraw/zinc/40/91/76/412409176.db2.gz XWKLJZSIUOPAEG-JTQLQIEISA-N 1 3 215.300 1.677 10 0 BDAEHO CN1CCCC[C@@H]1CNc1cc(N)cc[nH+]1 ZINC000044563509 173005005 /nfs/dbraw/zinc/00/50/05/173005005.db2.gz ROJQRRWBUWKPJW-LLVKDONJSA-N 1 3 220.320 1.560 10 0 BDAEHO C[N@@H+]1CCCN[C@@H](Cc2ccccc2)C1 ZINC000062569210 173019118 /nfs/dbraw/zinc/01/91/18/173019118.db2.gz NCXCSRLTYBSEOD-ZDUSSCGKSA-N 1 3 204.317 1.523 10 0 BDAEHO C[N@H+]1CCCN[C@@H](Cc2ccccc2)C1 ZINC000062569210 173019121 /nfs/dbraw/zinc/01/91/21/173019121.db2.gz NCXCSRLTYBSEOD-ZDUSSCGKSA-N 1 3 204.317 1.523 10 0 BDAEHO CN1CC[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000037484653 173118031 /nfs/dbraw/zinc/11/80/31/173118031.db2.gz ZTRKECGWLCFGGM-LBPRGKRZSA-N 1 3 205.305 1.123 10 0 BDAEHO CN1CC[C@H](C[N@H+](C)C[C@H](O)c2ccccc2)C1 ZINC000071190237 173142384 /nfs/dbraw/zinc/14/23/84/173142384.db2.gz GSMUOOFCEJQIFU-ZFWWWQNUSA-N 1 3 248.370 1.604 10 0 BDAEHO CN1CC[C@H](C[N@@H+](C)C[C@H](O)c2ccccc2)C1 ZINC000071190237 173142386 /nfs/dbraw/zinc/14/23/86/173142386.db2.gz GSMUOOFCEJQIFU-ZFWWWQNUSA-N 1 3 248.370 1.604 10 0 BDAEHO C[NH2+]CC1(CN2CC[C@H](O)C2)CCCCC1 ZINC000061711755 173337930 /nfs/dbraw/zinc/33/79/30/173337930.db2.gz DXLJQAAYSQDJEG-LBPRGKRZSA-N 1 3 226.364 1.223 10 0 BDAEHO C[NH2+]CC1(CN2CCC(CO)CC2)CCCC1 ZINC000051205888 173338184 /nfs/dbraw/zinc/33/81/84/173338184.db2.gz ZFXVCYPMAXSMTJ-UHFFFAOYSA-N 1 3 240.391 1.471 10 0 BDAEHO C[NH2+]C[C@@H]1CCCCN1CCN1CCCCC1 ZINC000063169163 173367065 /nfs/dbraw/zinc/36/70/65/173367065.db2.gz MEKJTRGBOXPQSH-AWEZNQCLSA-N 1 3 239.407 1.546 10 0 BDAEHO CNC[C@@]1(C[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC000051210268 173373713 /nfs/dbraw/zinc/37/37/13/173373713.db2.gz HUTDQLIBKHZQHZ-CHWSQXEVSA-N 1 3 226.364 1.344 10 0 BDAEHO CNC[C@@]1(C[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC000051210268 173373714 /nfs/dbraw/zinc/37/37/14/173373714.db2.gz HUTDQLIBKHZQHZ-CHWSQXEVSA-N 1 3 226.364 1.344 10 0 BDAEHO C[NH2+]C[C@@]1(CN2CCC[C@@H](C)C2)CCOC1 ZINC000051210268 173373716 /nfs/dbraw/zinc/37/37/16/173373716.db2.gz HUTDQLIBKHZQHZ-CHWSQXEVSA-N 1 3 226.364 1.344 10 0 BDAEHO C[NH2+]Cc1[nH]c2ccccc2c1CN(C)C ZINC000022863885 173384260 /nfs/dbraw/zinc/38/42/60/173384260.db2.gz MLPQYOVVLPJBDA-UHFFFAOYSA-N 1 3 217.316 1.949 10 0 BDAEHO C[NH2+][C@@H](C)c1ccccc1N(C)CCN(C)C ZINC000104191096 173420192 /nfs/dbraw/zinc/42/01/92/173420192.db2.gz RMNBKDOMCYSIDF-LBPRGKRZSA-N 1 3 235.375 1.965 10 0 BDAEHO COC1CC[NH+]([C@@H]2CCC[C@@H]2CN)CC1 ZINC000037265719 174031268 /nfs/dbraw/zinc/03/12/68/174031268.db2.gz XFJGOIUKVFXBLQ-ZYHUDNBSSA-N 1 3 212.337 1.225 10 0 BDAEHO COC1CCN([C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037265719 174031270 /nfs/dbraw/zinc/03/12/70/174031270.db2.gz XFJGOIUKVFXBLQ-ZYHUDNBSSA-N 1 3 212.337 1.225 10 0 BDAEHO COc1ccc(CC[NH3+])c(OCCN(C)C)c1 ZINC000011801356 175090747 /nfs/dbraw/zinc/09/07/47/175090747.db2.gz LECKUCYFNIKERZ-UHFFFAOYSA-N 1 3 238.331 1.137 10 0 BDAEHO COc1ccc(CN)c(OCCC[NH+](C)C)c1 ZINC000011962276 175096869 /nfs/dbraw/zinc/09/68/69/175096869.db2.gz IEVXMVLQPVYDCU-UHFFFAOYSA-N 1 3 238.331 1.484 10 0 BDAEHO COc1cccc(C[C@@H](C[NH3+])CN(C)C)c1 ZINC000011799973 175270350 /nfs/dbraw/zinc/27/03/50/175270350.db2.gz GXUUCPPWYPXOGN-LBPRGKRZSA-N 1 3 222.332 1.374 10 0 BDAEHO COc1cccc(C[C@@](C)(C[NH3+])CN(C)C)c1 ZINC000011800569 175271324 /nfs/dbraw/zinc/27/13/24/175271324.db2.gz FJBMLUWUMXJXMW-AWEZNQCLSA-N 1 3 236.359 1.764 10 0 BDAEHO COc1cccc(C[C@@](C)(CN)C[NH+](C)C)c1 ZINC000011800569 175271325 /nfs/dbraw/zinc/27/13/25/175271325.db2.gz FJBMLUWUMXJXMW-AWEZNQCLSA-N 1 3 236.359 1.764 10 0 BDAEHO C[C@@H]([C@@H]1CCCO1)N1CCC[NH2+]CCC1 ZINC000049666235 176012155 /nfs/dbraw/zinc/01/21/55/176012155.db2.gz XAWZSKQWJDPAIN-RYUDHWBXSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@@H]([C@@H]1CCCO1)[NH+]1CCCNCCC1 ZINC000049666235 176012156 /nfs/dbraw/zinc/01/21/56/176012156.db2.gz XAWZSKQWJDPAIN-RYUDHWBXSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@@H]1CN(CC[C@H]([NH3+])C(C)(C)C)CCCO1 ZINC000061934327 176293806 /nfs/dbraw/zinc/29/38/06/176293806.db2.gz AVYUOTBBXBUUMB-NEPJUHHUSA-N 1 3 228.380 1.861 10 0 BDAEHO C[C@@H]1C[NH+]=C(NC[C@H]2CCN(C)C2)S1 ZINC000037485235 176323821 /nfs/dbraw/zinc/32/38/21/176323821.db2.gz XHRQKRWYRLLKGD-RKDXNWHRSA-N 1 3 213.350 1.019 10 0 BDAEHO C[C@H]1CCCC[N@@H+]1CCCNCCCO ZINC000048695463 177075469 /nfs/dbraw/zinc/07/54/69/177075469.db2.gz QWSLYFQFLKGPIQ-LBPRGKRZSA-N 1 3 214.353 1.223 10 0 BDAEHO C[C@H]1CCCC[N@H+]1CCCNCCCO ZINC000048695463 177075470 /nfs/dbraw/zinc/07/54/70/177075470.db2.gz QWSLYFQFLKGPIQ-LBPRGKRZSA-N 1 3 214.353 1.223 10 0 BDAEHO C[C@H]1CCCCN1CCC[NH2+]CCCO ZINC000048695463 177075471 /nfs/dbraw/zinc/07/54/71/177075471.db2.gz QWSLYFQFLKGPIQ-LBPRGKRZSA-N 1 3 214.353 1.223 10 0 BDAEHO C[C@H]1CCC[N@@H+]1Cc1cccnc1CN ZINC000061656648 177109874 /nfs/dbraw/zinc/10/98/74/177109874.db2.gz BIJIUZVTCAYQAY-JTQLQIEISA-N 1 3 205.305 1.525 10 0 BDAEHO C[C@H]1CCC[N@H+]1Cc1cccnc1CN ZINC000061656648 177109876 /nfs/dbraw/zinc/10/98/76/177109876.db2.gz BIJIUZVTCAYQAY-JTQLQIEISA-N 1 3 205.305 1.525 10 0 BDAEHO C[C@H]1CCCN1[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037910610 177112036 /nfs/dbraw/zinc/11/20/36/177112036.db2.gz QHXAJOPZXATHCZ-SDDRHHMPSA-N 1 3 240.347 1.094 10 0 BDAEHO C[C@H]1CCN([C@]2(C[NH3+])CCSC2)C1 ZINC000040717267 177169714 /nfs/dbraw/zinc/16/97/14/177169714.db2.gz QDWJCWZVZIOOBA-UWVGGRQHSA-N 1 3 200.351 1.163 10 0 BDAEHO C[C@@H]1C[NH2+][C@@H](C)CCN(CCc2cccnc2)C1 ZINC000049666865 177162323 /nfs/dbraw/zinc/16/23/23/177162323.db2.gz ZGPFLENVUJNTGI-KGLIPLIRSA-N 1 3 247.386 1.944 10 0 BDAEHO C[C@H]1C[N@@H+](C2CCCCCC2)C[C@H](CN)O1 ZINC000071532963 177241806 /nfs/dbraw/zinc/24/18/06/177241806.db2.gz IVXJAOYUURNWBL-AAEUAGOBSA-N 1 3 226.364 1.757 10 0 BDAEHO C[C@H]1C[N@H+](C2CCCCCC2)C[C@H](CN)O1 ZINC000071532963 177241808 /nfs/dbraw/zinc/24/18/08/177241808.db2.gz IVXJAOYUURNWBL-AAEUAGOBSA-N 1 3 226.364 1.757 10 0 BDAEHO C[C@H]1CSC(NC2CCN(C)CC2)=[NH+]1 ZINC000035295406 177303068 /nfs/dbraw/zinc/30/30/68/177303068.db2.gz CSQSNSWEEZUSTB-QMMMGPOBSA-N 1 3 213.350 1.162 10 0 BDAEHO C[C@H](CN1CCCCC1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400361771 226341677 /nfs/dbraw/zinc/34/16/77/226341677.db2.gz QHEDAYRDLOOGHW-RDBSUJKOSA-N 1 3 239.407 1.448 10 0 BDAEHO COCC(C)(C)CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400354910 226341799 /nfs/dbraw/zinc/34/17/99/226341799.db2.gz LSUKSMXWXMJFCA-GHMZBOCLSA-N 1 3 214.353 1.247 10 0 BDAEHO CO[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400721344 226350125 /nfs/dbraw/zinc/35/01/25/226350125.db2.gz ONTQVTPYOSYLJR-QJPTWQEYSA-N 1 3 214.353 1.245 10 0 BDAEHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[C@H]3O)CC[C@H]21 ZINC000252476640 487824830 /nfs/dbraw/zinc/82/48/30/487824830.db2.gz SUSDEALAKFKBDK-AAVRWANBSA-N 1 3 238.375 1.316 10 0 BDAEHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CCC[C@H]3O)CC[C@H]21 ZINC000252476640 487824835 /nfs/dbraw/zinc/82/48/35/487824835.db2.gz SUSDEALAKFKBDK-AAVRWANBSA-N 1 3 238.375 1.316 10 0 BDAEHO COCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000666774675 487878386 /nfs/dbraw/zinc/87/83/86/487878386.db2.gz RHBSJFQIIJULFY-QJPTWQEYSA-N 1 3 214.353 1.389 10 0 BDAEHO C[C@H]([NH2+]C[C@]1(C)CCCO1)[C@H]1CCCNC1 ZINC000570663828 323066406 /nfs/dbraw/zinc/06/64/06/323066406.db2.gz FNUGBPQFOBXPFL-AVGNSLFASA-N 1 3 226.364 1.533 10 0 BDAEHO C[C@H](NC[C@]1(C)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000570663828 323066407 /nfs/dbraw/zinc/06/64/07/323066407.db2.gz FNUGBPQFOBXPFL-AVGNSLFASA-N 1 3 226.364 1.533 10 0 BDAEHO C[C@@H]([NH2+]CC1CC=CC1)[C@@H]1CCCNC1 ZINC000530215895 323216960 /nfs/dbraw/zinc/21/69/60/323216960.db2.gz KBHWSSGOBSKIAR-DGCLKSJQSA-N 1 3 208.349 1.930 10 0 BDAEHO CCOCCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000566791114 326082573 /nfs/dbraw/zinc/08/25/73/326082573.db2.gz RORFQAVBASANGD-VXGBXAGGSA-N 1 3 214.353 1.391 10 0 BDAEHO CCCN1CC[C@H](N[C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400756212 487987252 /nfs/dbraw/zinc/98/72/52/487987252.db2.gz XAMYSXOPQAWTNH-AGIUHOORSA-N 1 3 225.380 1.058 10 0 BDAEHO CCN1CCC[C@@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088019 490668587 /nfs/dbraw/zinc/66/85/87/490668587.db2.gz YNYPXYRILCKKHW-LLVKDONJSA-N 1 3 241.379 1.104 10 0 BDAEHO COC[C@H](C)C[N@@H+]1CCC[C@@]12CCCNC2 ZINC000757129254 582505025 /nfs/dbraw/zinc/50/50/25/582505025.db2.gz LAYRDXDLGLKRDM-CHWSQXEVSA-N 1 3 226.364 1.487 10 0 BDAEHO COC[C@H](C)C[N@H+]1CCC[C@@]12CCCNC2 ZINC000757129254 582505027 /nfs/dbraw/zinc/50/50/27/582505027.db2.gz LAYRDXDLGLKRDM-CHWSQXEVSA-N 1 3 226.364 1.487 10 0 BDAEHO CCC[C@H]1CCO[C@]2(CCCN(C)CC2)[NH2+]1 ZINC000757147739 582531381 /nfs/dbraw/zinc/53/13/81/582531381.db2.gz SQPNYSHFLRQLME-STQMWFEESA-N 1 3 226.364 1.977 10 0 BDAEHO C[C@H](NC[C@@H]1CCCC[C@@H]1O)[C@@H]1CC[NH2+]C1 ZINC000400382463 533881586 /nfs/dbraw/zinc/88/15/86/533881586.db2.gz KSBHVODMMJASLK-RNJOBUHISA-N 1 3 226.364 1.125 10 0 BDAEHO COc1ccccc1CCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400486752 534047207 /nfs/dbraw/zinc/04/72/07/534047207.db2.gz XSLQUXZMQBIBIN-OCCSQVGLSA-N 1 3 248.370 1.825 10 0 BDAEHO CC(C)C[C@H](CN(C)C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400720590 528503063 /nfs/dbraw/zinc/50/30/63/528503063.db2.gz OGVDQHSTVGMRHD-MGPQQGTHSA-N 1 3 241.423 1.693 10 0 BDAEHO CCN1CCC[C@H](N[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400335880 529092412 /nfs/dbraw/zinc/09/24/12/529092412.db2.gz ABUVVNMSMIYJJS-FRRDWIJNSA-N 1 3 225.380 1.201 10 0 BDAEHO COCCC[N@@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757130731 582504630 /nfs/dbraw/zinc/50/46/30/582504630.db2.gz NYPCJUOSHWJLRP-STQMWFEESA-N 1 3 226.364 1.629 10 0 BDAEHO COCCC[N@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757130731 582504631 /nfs/dbraw/zinc/50/46/31/582504631.db2.gz NYPCJUOSHWJLRP-STQMWFEESA-N 1 3 226.364 1.629 10 0 BDAEHO CC(C)CN1CCC2(CC1)[NH2+]CC1(CC1)CO2 ZINC000757144778 582525383 /nfs/dbraw/zinc/52/53/83/582525383.db2.gz PDJCGSRULMGTMM-UHFFFAOYSA-N 1 3 238.375 1.835 10 0 BDAEHO CCCC1(CCC)[NH2+]CCC2(CNC2)O1 ZINC000757145933 582528933 /nfs/dbraw/zinc/52/89/33/582528933.db2.gz IYLJAIFVFKZOBU-UHFFFAOYSA-N 1 3 212.337 1.635 10 0 BDAEHO [NH3+]C[C@@H]1CCN[C@H](c2ccc(C=O)s2)C1 ZINC000757218138 586441948 /nfs/dbraw/zinc/44/19/48/586441948.db2.gz UCXXZXRPNIWGCD-SCZZXKLOSA-N 1 3 224.329 1.560 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1N[C@H](C)CC[C@@H]1C[NH3+] ZINC000757238527 586444320 /nfs/dbraw/zinc/44/43/20/586444320.db2.gz SNBNPHHBLVWCQI-JTNHKYCSSA-N 1 3 233.359 1.965 10 0 BDAEHO CC[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251917074 644830002 /nfs/dbraw/zinc/83/00/02/644830002.db2.gz YEBJTXUOXGBRBZ-GRYCIOLGSA-N 1 3 212.337 1.225 10 0 BDAEHO C1=CO[C@H](CN[C@H]2CCC[NH2+]CC2)CC1 ZINC000380028103 712683248 /nfs/dbraw/zinc/68/32/48/712683248.db2.gz WRIOGXZMHXXOTF-RYUDHWBXSA-N 1 3 210.321 1.411 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@H]1CSCCS1 ZINC000229587894 711838455 /nfs/dbraw/zinc/83/84/55/711838455.db2.gz WJSWIJDGYVXLKH-JTQLQIEISA-N 1 3 232.418 1.177 10 0 BDAEHO C(NC1CC[NH2+]CC1)[C@H]1CSCCS1 ZINC000229587894 711838456 /nfs/dbraw/zinc/83/84/56/711838456.db2.gz WJSWIJDGYVXLKH-JTQLQIEISA-N 1 3 232.418 1.177 10 0 BDAEHO Cc1ccc(OCCN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000708839367 712200767 /nfs/dbraw/zinc/20/07/67/712200767.db2.gz CWDHGJGCJISVIS-UONOGXRCSA-N 1 3 248.370 1.900 10 0 BDAEHO NC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720788236 712865627 /nfs/dbraw/zinc/86/56/27/712865627.db2.gz IUZIJSBIPIDZJG-MROQNXINSA-N 1 3 224.348 1.367 10 0 BDAEHO NC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720788236 712865629 /nfs/dbraw/zinc/86/56/29/712865629.db2.gz IUZIJSBIPIDZJG-MROQNXINSA-N 1 3 224.348 1.367 10 0 BDAEHO CC(C)N1CC[C@@H]([NH3+])[C@@]12CCCSC2 ZINC000685952688 538896971 /nfs/dbraw/zinc/89/69/71/538896971.db2.gz CBPPPMBIHPJTRS-MNOVXSKESA-N 1 3 214.378 1.694 10 0 BDAEHO OCC[C@H]1CCCN1CCC[NH+]1CCCC1 ZINC000303741074 187327357 /nfs/dbraw/zinc/32/73/57/187327357.db2.gz GXEWQRDYGFKVRH-CYBMUJFWSA-N 1 3 226.364 1.319 10 0 BDAEHO CC(C)N1CC[C@H]([NH3+])C12CCSCC2 ZINC000606283140 538929640 /nfs/dbraw/zinc/92/96/40/538929640.db2.gz VTGYVMGKESWHBC-JTQLQIEISA-N 1 3 214.378 1.694 10 0 BDAEHO C[NH2+]C[C@@H]1CCN([C@@H]2CCSC2)C1 ZINC000070798620 361758239 /nfs/dbraw/zinc/75/82/39/361758239.db2.gz UTNWOJGRNGUCHA-VHSXEESVSA-N 1 3 200.351 1.033 10 0 BDAEHO Cc1cc([C@@H](C)[NH3+])ccc1OCCN(C)C ZINC000041241505 178220703 /nfs/dbraw/zinc/22/07/03/178220703.db2.gz XTNUYDYAQIQYPC-LLVKDONJSA-N 1 3 222.332 1.955 10 0 BDAEHO C[C@H]([NH2+]CCCCF)[C@@H]1CCCNC1 ZINC000566088834 398253479 /nfs/dbraw/zinc/25/34/79/398253479.db2.gz VMYWBYMRGGJKEZ-WDEREUQCSA-N 1 3 202.317 1.714 10 0 BDAEHO C[C@@H]1CC[C@H](CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)O1 ZINC000381387439 398255344 /nfs/dbraw/zinc/25/53/44/398255344.db2.gz MNKXNYHXZRVWTF-FHUSYTEZSA-N 1 3 224.348 1.223 10 0 BDAEHO CCC(CC)[N@H+](CCO)[C@H]1CCCC[C@@H]1CN ZINC000042499806 168373818 /nfs/dbraw/zinc/37/38/18/168373818.db2.gz JVFXVVFCPZUECI-OCCSQVGLSA-N 1 3 242.407 1.987 10 0 BDAEHO CCC(CC)[N@@H+](CCO)[C@H]1CCCC[C@@H]1CN ZINC000042499806 168373820 /nfs/dbraw/zinc/37/38/20/168373820.db2.gz JVFXVVFCPZUECI-OCCSQVGLSA-N 1 3 242.407 1.987 10 0 BDAEHO c1ccc2c(c1)C[C@H]2C[NH2+]C1CCNCC1 ZINC000038041448 398335787 /nfs/dbraw/zinc/33/57/87/398335787.db2.gz DVLNXSDQLSWZPM-LBPRGKRZSA-N 1 3 216.328 1.668 10 0 BDAEHO c1ccc2c(c1)C[C@H]2CNC1CC[NH2+]CC1 ZINC000038041448 398335788 /nfs/dbraw/zinc/33/57/88/398335788.db2.gz DVLNXSDQLSWZPM-LBPRGKRZSA-N 1 3 216.328 1.668 10 0 BDAEHO CN(C)C(C)(C)CNC1=[NH+]CCCS1 ZINC000043411998 343066572 /nfs/dbraw/zinc/06/65/72/343066572.db2.gz QLDUVVWTFYGHOO-UHFFFAOYSA-N 1 3 215.366 1.409 10 0 BDAEHO CN(C)CCOc1ccc(CC(N)=[NH2+])cc1 ZINC000019474513 187252796 /nfs/dbraw/zinc/25/27/96/187252796.db2.gz GMRPAEKZAQCVDE-UHFFFAOYSA-N 1 3 221.304 1.105 10 0 BDAEHO CC(C)N(Cc1ccccc1)C[C@H](O)C[NH3+] ZINC000019280097 187251665 /nfs/dbraw/zinc/25/16/65/187251665.db2.gz XNCKYPANXYTZCU-CYBMUJFWSA-N 1 3 222.332 1.217 10 0 BDAEHO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)CN ZINC000019280097 187251666 /nfs/dbraw/zinc/25/16/66/187251666.db2.gz XNCKYPANXYTZCU-CYBMUJFWSA-N 1 3 222.332 1.217 10 0 BDAEHO CC(C)[N@H+](Cc1ccccc1)C[C@H](O)CN ZINC000019280097 187251668 /nfs/dbraw/zinc/25/16/68/187251668.db2.gz XNCKYPANXYTZCU-CYBMUJFWSA-N 1 3 222.332 1.217 10 0 BDAEHO CC(C)N1CCN([C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000036170974 187259121 /nfs/dbraw/zinc/25/91/21/187259121.db2.gz GMIIDQRUYCCXGM-ZIAGYGMSSA-N 1 3 239.407 1.672 10 0 BDAEHO CC(C)N1CCN([C@](C)(C[NH3+])C(C)C)CC1 ZINC000041053666 187263891 /nfs/dbraw/zinc/26/38/91/187263891.db2.gz BHUSQPHNFKXXJT-CYBMUJFWSA-N 1 3 227.396 1.386 10 0 BDAEHO CC(C)(C)N1CCN([C@H]2CCC[C@H]2[NH3+])CC1 ZINC000042461990 187266078 /nfs/dbraw/zinc/26/60/78/187266078.db2.gz VEJDIXUFYRDEDC-NEPJUHHUSA-N 1 3 225.380 1.282 10 0 BDAEHO CN([C@@H](C[NH3+])C(C)(C)C)[C@@H]1CCCN(C)C1 ZINC000053205483 187271388 /nfs/dbraw/zinc/27/13/88/187271388.db2.gz LHDQTZFXXXWALW-NEPJUHHUSA-N 1 3 227.396 1.386 10 0 BDAEHO CN1CCC[C@@H]([N@H+](C)[C@@H](CN)C(C)(C)C)C1 ZINC000053205483 187271390 /nfs/dbraw/zinc/27/13/90/187271390.db2.gz LHDQTZFXXXWALW-NEPJUHHUSA-N 1 3 227.396 1.386 10 0 BDAEHO CN1CCC[C@@H]([N@@H+](C)[C@@H](CN)C(C)(C)C)C1 ZINC000053205483 187271392 /nfs/dbraw/zinc/27/13/92/187271392.db2.gz LHDQTZFXXXWALW-NEPJUHHUSA-N 1 3 227.396 1.386 10 0 BDAEHO CCOC[C@H]1C[N@@H+](C2CCNCC2)C[C@H]1C ZINC000409435586 343834279 /nfs/dbraw/zinc/83/42/79/343834279.db2.gz VLVWIBMQTBAGLV-VXGBXAGGSA-N 1 3 226.364 1.343 10 0 BDAEHO CCOC[C@H]1C[N@H+](C2CCNCC2)C[C@H]1C ZINC000409435586 343834282 /nfs/dbraw/zinc/83/42/82/343834282.db2.gz VLVWIBMQTBAGLV-VXGBXAGGSA-N 1 3 226.364 1.343 10 0 BDAEHO CCOC[C@H]1C[N@H+](CCCN)CC12CCC2 ZINC000409435871 343839889 /nfs/dbraw/zinc/83/98/89/343839889.db2.gz XAKOBKNJORRMEA-GFCCVEGCSA-N 1 3 226.364 1.474 10 0 BDAEHO CCOC[C@H]1C[N@@H+](CCCN)CC12CCC2 ZINC000409435871 343839890 /nfs/dbraw/zinc/83/98/90/343839890.db2.gz XAKOBKNJORRMEA-GFCCVEGCSA-N 1 3 226.364 1.474 10 0 BDAEHO C[C@@H]1CCN([C@@]2(C[NH3+])CCSC2)C1 ZINC000226756649 344685612 /nfs/dbraw/zinc/68/56/12/344685612.db2.gz QDWJCWZVZIOOBA-NXEZZACHSA-N 1 3 200.351 1.163 10 0 BDAEHO CS[C@H]1CC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000235266855 344864062 /nfs/dbraw/zinc/86/40/62/344864062.db2.gz JETIVIALQULFCH-MNOVXSKESA-N 1 3 214.378 1.612 10 0 BDAEHO COc1cc(CC[NH3+])ccc1CN1CCCC1 ZINC000140519639 345855658 /nfs/dbraw/zinc/85/56/58/345855658.db2.gz DUNRVWWMEJBGSG-UHFFFAOYSA-N 1 3 234.343 1.792 10 0 BDAEHO C[NH2+]C[C@H]1CCN([C@H]2CCSC2)C1 ZINC000250770547 362819454 /nfs/dbraw/zinc/81/94/54/362819454.db2.gz UTNWOJGRNGUCHA-ZJUUUORDSA-N 1 3 200.351 1.033 10 0 BDAEHO Cc1ccccc1[C@@H]([NH3+])CCN(C)C[C@@H](C)O ZINC000054023285 179325073 /nfs/dbraw/zinc/32/50/73/179325073.db2.gz HOWLKHLXGZTFGM-OCCSQVGLSA-N 1 3 236.359 1.698 10 0 BDAEHO Cc1ccccc1[C@@H](N)CC[N@@H+](C)C[C@@H](C)O ZINC000054023285 179325075 /nfs/dbraw/zinc/32/50/75/179325075.db2.gz HOWLKHLXGZTFGM-OCCSQVGLSA-N 1 3 236.359 1.698 10 0 BDAEHO Cc1ccccc1[C@@H](N)CC[N@H+](C)C[C@@H](C)O ZINC000054023285 179325076 /nfs/dbraw/zinc/32/50/76/179325076.db2.gz HOWLKHLXGZTFGM-OCCSQVGLSA-N 1 3 236.359 1.698 10 0 BDAEHO Cc1nc2ccc(NCCC[NH3+])cc2[nH]1 ZINC000082593195 180093709 /nfs/dbraw/zinc/09/37/09/180093709.db2.gz MJAYYUKBFNUZMB-UHFFFAOYSA-N 1 3 204.277 1.632 10 0 BDAEHO C[C@@H]1CSCC[N@@H+]([C@H]2CC[C@@H]2CN)C1 ZINC000307461974 352611216 /nfs/dbraw/zinc/61/12/16/352611216.db2.gz GAATWQHDLFUULT-AXFHLTTASA-N 1 3 214.378 1.409 10 0 BDAEHO C[C@@H]1CSCC[N@H+]([C@H]2CC[C@@H]2CN)C1 ZINC000307461974 352611219 /nfs/dbraw/zinc/61/12/19/352611219.db2.gz GAATWQHDLFUULT-AXFHLTTASA-N 1 3 214.378 1.409 10 0 BDAEHO C[C@@H]1CSCCN([C@H]2CC[C@@H]2C[NH3+])C1 ZINC000307461974 352611220 /nfs/dbraw/zinc/61/12/20/352611220.db2.gz GAATWQHDLFUULT-AXFHLTTASA-N 1 3 214.378 1.409 10 0 BDAEHO CO[C@H](CC[NH3+])CN(C)Cc1ccccc1 ZINC000307490971 352621297 /nfs/dbraw/zinc/62/12/97/352621297.db2.gz GDRUQNSHAJTMFC-CYBMUJFWSA-N 1 3 222.332 1.482 10 0 BDAEHO C[C@@H]1COC[C@H](C)N1CCC1CC[NH2+]CC1 ZINC000334602935 354282745 /nfs/dbraw/zinc/28/27/45/354282745.db2.gz UFIHKPLMAZRZFS-TXEJJXNPSA-N 1 3 226.364 1.485 10 0 BDAEHO C[C@H](CCCO)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000582175389 355578069 /nfs/dbraw/zinc/57/80/69/355578069.db2.gz CURQQHGGNRPGRM-UPJWGTAASA-N 1 3 228.380 1.373 10 0 BDAEHO COCCNC[C@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675051077 538473654 /nfs/dbraw/zinc/47/36/54/538473654.db2.gz KGACHSMWHHYVLL-UONOGXRCSA-N 1 3 240.391 1.638 10 0 BDAEHO [NH3+][C@H]1C=C(C[C@@H]2CCCC2(F)F)CNC1 ZINC000675078841 538515768 /nfs/dbraw/zinc/51/57/68/538515768.db2.gz URNNAOKQCKSRIQ-UWVGGRQHSA-N 1 3 216.275 1.669 10 0 BDAEHO CC(C)N(C)[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080493 538519455 /nfs/dbraw/zinc/51/94/55/538519455.db2.gz RVBNTZBVYFGHSR-QWRGUYRKSA-N 1 3 212.337 1.223 10 0 BDAEHO C[C@@H]1C[C@@H]([NH3+])CCN1[C@@H]1CCSC1 ZINC000168830609 357246814 /nfs/dbraw/zinc/24/68/14/357246814.db2.gz SAYLLDLONJIPQJ-KXUCPTDWSA-N 1 3 200.351 1.304 10 0 BDAEHO CO[C@@H]1CCC[N@@H+](C2[C@H](C)CNC[C@H]2C)C1 ZINC000685951386 538894686 /nfs/dbraw/zinc/89/46/86/538894686.db2.gz RUUZHICKVWVEAJ-IJLUTSLNSA-N 1 3 226.364 1.341 10 0 BDAEHO CO[C@@H]1CCC[N@H+](C2[C@H](C)CNC[C@H]2C)C1 ZINC000685951386 538894687 /nfs/dbraw/zinc/89/46/87/538894687.db2.gz RUUZHICKVWVEAJ-IJLUTSLNSA-N 1 3 226.364 1.341 10 0 BDAEHO CCOC[C@H](N[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000233788235 357749228 /nfs/dbraw/zinc/74/92/28/357749228.db2.gz GPJWIWIEMHKMDJ-OLZOCXBDSA-N 1 3 228.380 1.779 10 0 BDAEHO CCOC[C@H]([NH2+][C@@H]1CCCNCC1)C(C)C ZINC000233788235 357749230 /nfs/dbraw/zinc/74/92/30/357749230.db2.gz GPJWIWIEMHKMDJ-OLZOCXBDSA-N 1 3 228.380 1.779 10 0 BDAEHO CC[C@H](O)C1CC[NH+](C2CCNCC2)CC1 ZINC000584612570 358275643 /nfs/dbraw/zinc/27/56/43/358275643.db2.gz BGRIBZLCNWYISV-ZDUSSCGKSA-N 1 3 226.364 1.221 10 0 BDAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@H]1CCSC1 ZINC000252689741 366412655 /nfs/dbraw/zinc/41/26/55/366412655.db2.gz SAYLLDLONJIPQJ-BBBLOLIVSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@H]1SCC[C@H]1[NH2+]C1CCNCC1 ZINC000306489449 360178425 /nfs/dbraw/zinc/17/84/25/360178425.db2.gz LMJANJNMQRYJTC-PSASIEDQSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@H]1SCC[C@H]1NC1CC[NH2+]CC1 ZINC000306489449 360178431 /nfs/dbraw/zinc/17/84/31/360178431.db2.gz LMJANJNMQRYJTC-PSASIEDQSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)[C@@H]1CCCNC1 ZINC000578979044 366684532 /nfs/dbraw/zinc/68/45/32/366684532.db2.gz LHVCJIRJOAHCRI-DMDPSCGWSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](NC[C@@](C)(O)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000578979044 366684535 /nfs/dbraw/zinc/68/45/35/366684535.db2.gz LHVCJIRJOAHCRI-DMDPSCGWSA-N 1 3 226.364 1.125 10 0 BDAEHO CCC[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)OCC ZINC000629515054 361113237 /nfs/dbraw/zinc/11/32/37/361113237.db2.gz PZZBKGYBMCVHCU-JHJVBQTASA-N 1 3 228.380 1.779 10 0 BDAEHO [NH3+]C[C@H]1CCC[C@@H]1NCC1=CCCOC1 ZINC000379735525 361574155 /nfs/dbraw/zinc/57/41/55/361574155.db2.gz JAVFMMGVTICWII-NEPJUHHUSA-N 1 3 210.321 1.050 10 0 BDAEHO NC[C@H]1CCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379735525 361574159 /nfs/dbraw/zinc/57/41/59/361574159.db2.gz JAVFMMGVTICWII-NEPJUHHUSA-N 1 3 210.321 1.050 10 0 BDAEHO [NH3+]CC1(CN2CCCSCC2)CCOCC1 ZINC000052197960 181358598 /nfs/dbraw/zinc/35/85/98/181358598.db2.gz DLOWMCALPAIUBT-UHFFFAOYSA-N 1 3 244.404 1.181 10 0 BDAEHO [NH3+]CCCNCc1c[nH]nc1-c1ccccc1 ZINC000041652818 181383018 /nfs/dbraw/zinc/38/30/18/181383018.db2.gz QUQBHTBDUWNMTA-UHFFFAOYSA-N 1 3 230.315 1.515 10 0 BDAEHO C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@H]1CCCNC1 ZINC000581661076 367661620 /nfs/dbraw/zinc/66/16/20/367661620.db2.gz JAWFUAKRVNVRTO-WYUUTHIRSA-N 1 3 228.405 1.716 10 0 BDAEHO OC[C@H]([NH2+][C@@H]1CCCNCC1)C1CCCCC1 ZINC000386305910 367948035 /nfs/dbraw/zinc/94/80/35/367948035.db2.gz WEDPFBQXMCQLEB-KGLIPLIRSA-N 1 3 240.391 1.659 10 0 BDAEHO OC[C@H](N[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000386305910 367948036 /nfs/dbraw/zinc/94/80/36/367948036.db2.gz WEDPFBQXMCQLEB-KGLIPLIRSA-N 1 3 240.391 1.659 10 0 BDAEHO C[C@@H]1CN([C@H]2CC[C@H]2C[NH3+])CCS1 ZINC000252982957 368179017 /nfs/dbraw/zinc/17/90/17/368179017.db2.gz YPJSJJBXXBTJEN-UTLUCORTSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@H]1C[N@H+](C[Si](C)(C)C)CC[C@H]1N ZINC000401638614 371796397 /nfs/dbraw/zinc/79/63/97/371796397.db2.gz GODILJJHBWUOJY-VHSXEESVSA-N 1 3 200.402 1.533 10 0 BDAEHO C[C@H]1C[N@@H+](C[Si](C)(C)C)CC[C@H]1N ZINC000401638614 371796404 /nfs/dbraw/zinc/79/64/04/371796404.db2.gz GODILJJHBWUOJY-VHSXEESVSA-N 1 3 200.402 1.533 10 0 BDAEHO Cc1nccn1CCC[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631837785 372629845 /nfs/dbraw/zinc/62/98/45/372629845.db2.gz FMFIYEACABBTIO-AAEUAGOBSA-N 1 3 236.363 1.108 10 0 BDAEHO Cc1nccn1CCC[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631837785 372629850 /nfs/dbraw/zinc/62/98/50/372629850.db2.gz FMFIYEACABBTIO-AAEUAGOBSA-N 1 3 236.363 1.108 10 0 BDAEHO COc1ccc(CC[N@@H+]2C[C@@H](C)[C@@H](CN)C2)cc1 ZINC000631842785 372641795 /nfs/dbraw/zinc/64/17/95/372641795.db2.gz FSDDHOORHKTCAZ-OCCSQVGLSA-N 1 3 248.370 1.764 10 0 BDAEHO COc1ccc(CC[N@H+]2C[C@@H](C)[C@@H](CN)C2)cc1 ZINC000631842785 372641798 /nfs/dbraw/zinc/64/17/98/372641798.db2.gz FSDDHOORHKTCAZ-OCCSQVGLSA-N 1 3 248.370 1.764 10 0 BDAEHO COc1ccc(CCN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631842785 372641804 /nfs/dbraw/zinc/64/18/04/372641804.db2.gz FSDDHOORHKTCAZ-OCCSQVGLSA-N 1 3 248.370 1.764 10 0 BDAEHO OCC[C@@H]1CCCN1CCC[NH+]1CCCC1 ZINC000303741075 183093168 /nfs/dbraw/zinc/09/31/68/183093168.db2.gz GXEWQRDYGFKVRH-ZDUSSCGKSA-N 1 3 226.364 1.319 10 0 BDAEHO OC[C@@H](CCc1ccccc1)[N@@H+]1CCCNCC1 ZINC000061625893 183104190 /nfs/dbraw/zinc/10/41/90/183104190.db2.gz DBEOSKFZZCRRTO-OAHLLOKOSA-N 1 3 248.370 1.275 10 0 BDAEHO OC[C@@H](CCc1ccccc1)[N@H+]1CCCNCC1 ZINC000061625893 183104191 /nfs/dbraw/zinc/10/41/91/183104191.db2.gz DBEOSKFZZCRRTO-OAHLLOKOSA-N 1 3 248.370 1.275 10 0 BDAEHO O[C@H](CN[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128944102 183224914 /nfs/dbraw/zinc/22/49/14/183224914.db2.gz OFOYHEZLQGIHIM-UONOGXRCSA-N 1 3 234.343 1.452 10 0 BDAEHO CCCN(CCN1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000104330917 169159001 /nfs/dbraw/zinc/15/90/01/169159001.db2.gz WWUFQZRUFSLGKK-CQSZACIVSA-N 1 3 239.407 1.546 10 0 BDAEHO CCCN1CCN(CC[NH2+]CCC(C)C)CC1 ZINC000053344719 169202739 /nfs/dbraw/zinc/20/27/39/169202739.db2.gz JZTMTZNFCOQOFP-UHFFFAOYSA-N 1 3 241.423 1.650 10 0 BDAEHO CCCN1CCN([C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000037157879 169203144 /nfs/dbraw/zinc/20/31/44/169203144.db2.gz HLDHSCJGRDNIPD-QWHCGFSZSA-N 1 3 225.380 1.141 10 0 BDAEHO CCC[NH2+][C@H]1CCCC[C@H]1CN(CC)CCO ZINC000053858513 169291054 /nfs/dbraw/zinc/29/10/54/169291054.db2.gz ZBQPPKUBDOXSCS-KBPBESRZSA-N 1 3 242.407 1.859 10 0 BDAEHO CCC[C@@H](C[NH3+])N1CCN(C[C@@H](C)CC)CC1 ZINC000104068082 169383746 /nfs/dbraw/zinc/38/37/46/169383746.db2.gz GFYBOTDSUXQTSP-KBPBESRZSA-N 1 3 241.423 1.778 10 0 BDAEHO OCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000224121191 134341887 /nfs/dbraw/zinc/34/18/87/134341887.db2.gz KRYRYTARVGMLCE-FRRDWIJNSA-N 1 3 226.364 1.269 10 0 BDAEHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000068590924 384003074 /nfs/dbraw/zinc/00/30/74/384003074.db2.gz CZRLDAXSBGABDL-ZIAGYGMSSA-N 1 3 218.344 1.946 10 0 BDAEHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1 ZINC000068590924 384003084 /nfs/dbraw/zinc/00/30/84/384003084.db2.gz CZRLDAXSBGABDL-ZIAGYGMSSA-N 1 3 218.344 1.946 10 0 BDAEHO C[C@H](C[NH3+])Nc1ccnc2ccccc21 ZINC000082576314 384239135 /nfs/dbraw/zinc/23/91/35/384239135.db2.gz KIEOUMPFNGJDLW-SECBINFHSA-N 1 3 201.273 1.994 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N)c1ccc[nH]1 ZINC000095068304 384329588 /nfs/dbraw/zinc/32/95/88/384329588.db2.gz BNGCEMOQZAFMLM-JBLDHEPKSA-N 1 3 207.321 1.935 10 0 BDAEHO C[NH+](C)CCn1cccc1[C@H](N)[C@H]1CCCO1 ZINC000011848806 384621263 /nfs/dbraw/zinc/62/12/63/384621263.db2.gz LFSUZAFAKHQISJ-OLZOCXBDSA-N 1 3 237.347 1.229 10 0 BDAEHO CC(C)CSCC[NH2+]C1CCNCC1 ZINC000397374003 385149479 /nfs/dbraw/zinc/14/94/79/385149479.db2.gz QOERBUVSDRLELW-UHFFFAOYSA-N 1 3 216.394 1.717 10 0 BDAEHO CC(C)CSCCNC1CC[NH2+]CC1 ZINC000397374003 385149484 /nfs/dbraw/zinc/14/94/84/385149484.db2.gz QOERBUVSDRLELW-UHFFFAOYSA-N 1 3 216.394 1.717 10 0 BDAEHO C[C@H]1CC[C@H](NC2CC([NH3+])C2)CS1 ZINC000575535218 385902271 /nfs/dbraw/zinc/90/22/71/385902271.db2.gz RUKYQHDISYENCR-FMLYDFSMSA-N 1 3 200.351 1.350 10 0 BDAEHO C[C@H]1CC[C@H]([NH2+]C2CC(N)C2)CS1 ZINC000575535218 385902275 /nfs/dbraw/zinc/90/22/75/385902275.db2.gz RUKYQHDISYENCR-FMLYDFSMSA-N 1 3 200.351 1.350 10 0 BDAEHO C[C@]1(C2CC[NH2+]CC2)NCCCS1 ZINC000306893500 386520371 /nfs/dbraw/zinc/52/03/71/386520371.db2.gz JPDKALJYCQVSKR-JTQLQIEISA-N 1 3 200.351 1.429 10 0 BDAEHO CN(C[C@H]1CC[NH2+]C1)[C@@H]1CCSC1 ZINC000051889930 386577585 /nfs/dbraw/zinc/57/75/85/386577585.db2.gz WDEVTXFLMOBNIE-VHSXEESVSA-N 1 3 200.351 1.033 10 0 BDAEHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@@H](CCO)C1 ZINC000228349670 387083598 /nfs/dbraw/zinc/08/35/98/387083598.db2.gz JQRICNAUWKGZMH-KBPBESRZSA-N 1 3 240.391 1.565 10 0 BDAEHO C[N@H+]1CCCC[C@H]1CCN1CC[C@@H](CCO)C1 ZINC000228349670 387083602 /nfs/dbraw/zinc/08/36/02/387083602.db2.gz JQRICNAUWKGZMH-KBPBESRZSA-N 1 3 240.391 1.565 10 0 BDAEHO N[C@H](CCC[NH3+])c1cccc2c1OCO2 ZINC000575440010 387127424 /nfs/dbraw/zinc/12/74/24/387127424.db2.gz RDQOWFIQTNGPMT-SECBINFHSA-N 1 3 208.261 1.154 10 0 BDAEHO COc1c(Cl)cc(C[NH3+])cc1CN ZINC000575601506 387360109 /nfs/dbraw/zinc/36/01/09/387360109.db2.gz CLQKHXUTSHVRSZ-UHFFFAOYSA-N 1 3 200.669 1.266 10 0 BDAEHO C[C@@H]([NH2+]CCCOC(F)F)[C@@H]1CCCNC1 ZINC000643488129 387362435 /nfs/dbraw/zinc/36/24/35/387362435.db2.gz HJHQVTCGPWTYSL-NXEZZACHSA-N 1 3 236.306 1.593 10 0 BDAEHO Cc1ccc(CCN[C@@H]2CCC[NH2+]CC2)o1 ZINC000515053331 387326569 /nfs/dbraw/zinc/32/65/69/387326569.db2.gz OKCVXBXLRHOVIW-GFCCVEGCSA-N 1 3 222.332 1.862 10 0 BDAEHO CN(CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[C@H]1O ZINC000352669584 387431913 /nfs/dbraw/zinc/43/19/13/387431913.db2.gz BBJDJFMQACOZJA-HZSPNIEDSA-N 1 3 240.391 1.706 10 0 BDAEHO CN(CC[C@H]1CCCC[N@H+]1C)[C@H]1CCC[C@H]1O ZINC000352669584 387431917 /nfs/dbraw/zinc/43/19/17/387431917.db2.gz BBJDJFMQACOZJA-HZSPNIEDSA-N 1 3 240.391 1.706 10 0 BDAEHO C[C@H](N[C@H]1CCN(C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643454660 387385392 /nfs/dbraw/zinc/38/53/92/387385392.db2.gz LDXCZWQCGPSSJG-XQQFMLRXSA-N 1 3 237.391 1.201 10 0 BDAEHO Cc1cnn(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000300409711 387520169 /nfs/dbraw/zinc/52/01/69/387520169.db2.gz NSCJJIJRVKNILN-KGLIPLIRSA-N 1 3 248.374 1.408 10 0 BDAEHO Cc1cnn(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000300409711 387520172 /nfs/dbraw/zinc/52/01/72/387520172.db2.gz NSCJJIJRVKNILN-KGLIPLIRSA-N 1 3 248.374 1.408 10 0 BDAEHO CS[C@H]1CC[C@H]1[N@@H+]1CCCNCC1 ZINC000575548365 387645608 /nfs/dbraw/zinc/64/56/08/387645608.db2.gz CXJVEWXICQFEPO-ZJUUUORDSA-N 1 3 200.351 1.176 10 0 BDAEHO CS[C@H]1CC[C@H]1[N@H+]1CCCNCC1 ZINC000575548365 387645613 /nfs/dbraw/zinc/64/56/13/387645613.db2.gz CXJVEWXICQFEPO-ZJUUUORDSA-N 1 3 200.351 1.176 10 0 BDAEHO CN1C[C@@H]2C[N@@H+](CCc3ccccn3)C[C@@H]2C1 ZINC000193645119 387860555 /nfs/dbraw/zinc/86/05/55/387860555.db2.gz DWRVRPNVMQPPPO-BETUJISGSA-N 1 3 231.343 1.118 10 0 BDAEHO CN1C[C@@H]2C[N@H+](CCc3ccccn3)C[C@@H]2C1 ZINC000193645119 387860559 /nfs/dbraw/zinc/86/05/59/387860559.db2.gz DWRVRPNVMQPPPO-BETUJISGSA-N 1 3 231.343 1.118 10 0 BDAEHO Cc1cccnc1CCCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000423158960 387938657 /nfs/dbraw/zinc/93/86/57/387938657.db2.gz XOMZWGYBFOPDQX-KGLIPLIRSA-N 1 3 247.386 1.910 10 0 BDAEHO Cc1cccnc1CCCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423158963 387939673 /nfs/dbraw/zinc/93/96/73/387939673.db2.gz XOMZWGYBFOPDQX-ZIAGYGMSSA-N 1 3 247.386 1.910 10 0 BDAEHO CC[C@H](CCO)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000517024011 388533854 /nfs/dbraw/zinc/53/38/54/388533854.db2.gz NFKPRWYLBIBPCO-YNEHKIRRSA-N 1 3 228.380 1.373 10 0 BDAEHO C[C@H](N[C@H]1COCC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000566088990 388986132 /nfs/dbraw/zinc/98/61/32/388986132.db2.gz XZEAJAATBPJTHD-TUAOUCFPSA-N 1 3 226.364 1.389 10 0 BDAEHO C[C@H]([NH2+][C@H]1COCC1(C)C)[C@@H]1CCCNC1 ZINC000566088990 388986136 /nfs/dbraw/zinc/98/61/36/388986136.db2.gz XZEAJAATBPJTHD-TUAOUCFPSA-N 1 3 226.364 1.389 10 0 BDAEHO CCN1CCN(c2ccccc2C[NH3+])CC1 ZINC000020075600 132329242 /nfs/dbraw/zinc/32/92/42/132329242.db2.gz HHDQTYHVVQRHNQ-UHFFFAOYSA-N 1 3 219.332 1.287 10 0 BDAEHO C[C@@H](NCCOC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400355981 533397667 /nfs/dbraw/zinc/39/76/67/533397667.db2.gz OMUABONOHQRPLK-OLZOCXBDSA-N 1 3 240.391 1.923 10 0 BDAEHO OCCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000224121245 134342196 /nfs/dbraw/zinc/34/21/96/134342196.db2.gz KRYRYTARVGMLCE-RWMBFGLXSA-N 1 3 226.364 1.269 10 0 BDAEHO Cc1nccc(CNCC2(C)CC[NH+](C)CC2)n1 ZINC000226345968 134361162 /nfs/dbraw/zinc/36/11/62/134361162.db2.gz KBTWPVORMIBVCW-UHFFFAOYSA-N 1 3 248.374 1.607 10 0 BDAEHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000261582402 135223567 /nfs/dbraw/zinc/22/35/67/135223567.db2.gz RDQUMQPTINBFQJ-VGMNWLOBSA-N 1 3 248.330 1.243 10 0 BDAEHO C[C@@H]1C[C@@H]([NH3+])CN1[C@H]1CCS[C@H]1C ZINC000575592406 397991052 /nfs/dbraw/zinc/99/10/52/397991052.db2.gz RLPISWKGEPOMSZ-RGOKHQFPSA-N 1 3 200.351 1.302 10 0 BDAEHO C[C@@H]([NH2+]CC1(CO)CCCC1)[C@H]1CCCNC1 ZINC000564826526 398045587 /nfs/dbraw/zinc/04/55/87/398045587.db2.gz RVFPVBRUODNSJV-OLZOCXBDSA-N 1 3 240.391 1.517 10 0 BDAEHO C[C@@H](NCC1(CO)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000564826526 398045590 /nfs/dbraw/zinc/04/55/90/398045590.db2.gz RVFPVBRUODNSJV-OLZOCXBDSA-N 1 3 240.391 1.517 10 0 BDAEHO CC(C)[NH2+]C[C@@H](O)CN(C)[C@@H]1CCCC[C@@H]1C ZINC000042607055 167111551 /nfs/dbraw/zinc/11/15/51/167111551.db2.gz PWJFATGANZLGAN-BFHYXJOUSA-N 1 3 242.407 1.856 10 0 BDAEHO Cc1cc(CNCC[C@H](C)[NH3+])ccc1F ZINC000258825530 322876955 /nfs/dbraw/zinc/87/69/55/322876955.db2.gz URCFZUDJFIEXSO-JTQLQIEISA-N 1 3 210.296 1.961 10 0 BDAEHO CO[C@H](CN(C)[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662266535 409567013 /nfs/dbraw/zinc/56/70/13/409567013.db2.gz IDGPJHNQIJZBLF-UONOGXRCSA-N 1 3 240.391 1.875 10 0 BDAEHO CCCN1CC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000665274083 410743987 /nfs/dbraw/zinc/74/39/87/410743987.db2.gz JKSPTKRLEWKOFV-MCIONIFRSA-N 1 3 239.407 1.448 10 0 BDAEHO CC[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000053664434 170111905 /nfs/dbraw/zinc/11/19/05/170111905.db2.gz RIVABRRKFYWBRU-UHFFFAOYSA-N 1 3 219.332 1.908 10 0 BDAEHO CC[NH2+]C[C@H]1CCCN(c2ccncc2)C1 ZINC000053696004 170123016 /nfs/dbraw/zinc/12/30/16/170123016.db2.gz ALWNSWSTMDKXBQ-GFCCVEGCSA-N 1 3 219.332 1.908 10 0 BDAEHO CC[C@@H]1CCN([C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000049667028 171015176 /nfs/dbraw/zinc/01/51/76/171015176.db2.gz IDMHKKUTRCTIRH-ZIAGYGMSSA-N 1 3 239.407 1.545 10 0 BDAEHO CC[C@@H]1CSC(NC[C@H]2CC[N@H+](C)C2)=N1 ZINC000037485229 171113190 /nfs/dbraw/zinc/11/31/90/171113190.db2.gz VEQKCBCEPTVWLU-NXEZZACHSA-N 1 3 227.377 1.409 10 0 BDAEHO CC[C@@H]1CSC(NC[C@H]2CC[N@@H+](C)C2)=N1 ZINC000037485229 171113194 /nfs/dbraw/zinc/11/31/94/171113194.db2.gz VEQKCBCEPTVWLU-NXEZZACHSA-N 1 3 227.377 1.409 10 0 BDAEHO CC[C@@](O)(C[NH3+])C1CN(Cc2ccccc2)C1 ZINC000083105982 171194956 /nfs/dbraw/zinc/19/49/56/171194956.db2.gz KYMUOYAJHGLOLX-CQSZACIVSA-N 1 3 234.343 1.218 10 0 BDAEHO CC[C@H](C)C[C@](CC)(CN)[NH+]1CCN(C)CC1 ZINC000019423386 171299568 /nfs/dbraw/zinc/29/95/68/171299568.db2.gz OVOYMHDGPSQJII-UONOGXRCSA-N 1 3 241.423 1.778 10 0 BDAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])CC(C)C)CC1 ZINC000055064532 171319557 /nfs/dbraw/zinc/31/95/57/171319557.db2.gz NTLKXZZNMDQTTB-KBPBESRZSA-N 1 3 241.423 1.776 10 0 BDAEHO C[C@@H]1CCC[C@@H](CN[C@@H]2CCC[NH2+]CC2)O1 ZINC000665264549 412207551 /nfs/dbraw/zinc/20/75/51/412207551.db2.gz BJYPFZMFWYWVCK-UPJWGTAASA-N 1 3 226.364 1.676 10 0 BDAEHO C[C@]1(CN[C@@H]2CCC[NH2+]CC2)CC1(F)F ZINC000665265008 412208861 /nfs/dbraw/zinc/20/88/61/412208861.db2.gz NTZTWAUQVOVTJO-NXEZZACHSA-N 1 3 218.291 1.763 10 0 BDAEHO C[C@]1(C[NH2+][C@@H]2CCCNCC2)CC1(F)F ZINC000665265008 412208863 /nfs/dbraw/zinc/20/88/63/412208863.db2.gz NTZTWAUQVOVTJO-NXEZZACHSA-N 1 3 218.291 1.763 10 0 BDAEHO C[C@H]([NH2+][C@H](CO)C1CCC1)[C@@H]1CCCNC1 ZINC000665235062 412166010 /nfs/dbraw/zinc/16/60/10/412166010.db2.gz PBHHURWQFPDROB-CYZMBNFOSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](N[C@H](CO)C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000665235062 412166012 /nfs/dbraw/zinc/16/60/12/412166012.db2.gz PBHHURWQFPDROB-CYZMBNFOSA-N 1 3 226.364 1.125 10 0 BDAEHO CC[C@H]1CN(CC(CC)(CC)C[NH3+])CCN1C ZINC000104134983 171656091 /nfs/dbraw/zinc/65/60/91/171656091.db2.gz VJLDWXJOHGCEQZ-ZDUSSCGKSA-N 1 3 241.423 1.778 10 0 BDAEHO CCn1ncc(CN2CCC(C[NH3+])CC2)c1C ZINC000020315729 172254804 /nfs/dbraw/zinc/25/48/04/172254804.db2.gz YMIWSAGYKQYAME-UHFFFAOYSA-N 1 3 236.363 1.382 10 0 BDAEHO CN1CC[C@](C[NH3+])(N2CCC(C)(C)CC2)C1 ZINC000061990821 173163043 /nfs/dbraw/zinc/16/30/43/173163043.db2.gz LJOVPSMUWABSLN-CYBMUJFWSA-N 1 3 225.380 1.141 10 0 BDAEHO CNC(C)(C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000061316364 173318611 /nfs/dbraw/zinc/31/86/11/173318611.db2.gz PPRWMVJTNBLJJW-UHFFFAOYSA-N 1 3 249.358 1.685 10 0 BDAEHO C[NH2+]CCCCCN1CCN(C(C)(C)C)CC1 ZINC000052571676 173345477 /nfs/dbraw/zinc/34/54/77/173345477.db2.gz OZUHHJCMAQOENG-UHFFFAOYSA-N 1 3 241.423 1.792 10 0 BDAEHO C[NH2+]Cc1ccc(OC2CCN(C)CC2)nc1 ZINC000051522123 173388890 /nfs/dbraw/zinc/38/88/90/173388890.db2.gz FFKBSYHZEJLUQH-UHFFFAOYSA-N 1 3 235.331 1.274 10 0 BDAEHO C[NH2+]Cc1ccc(OCCN(C)C2CC2)cc1 ZINC000052445391 173389147 /nfs/dbraw/zinc/38/91/47/173389147.db2.gz HHXWPFXWVATJSM-UHFFFAOYSA-N 1 3 234.343 1.879 10 0 BDAEHO C[NH2+]Cc1ccccc1CN1CCSCC1 ZINC000052443307 173390229 /nfs/dbraw/zinc/39/02/29/173390229.db2.gz RHBZVJONRDYCLO-UHFFFAOYSA-N 1 3 236.384 1.955 10 0 BDAEHO COC1CCN(Cc2cccc(C[NH3+])c2)CC1 ZINC000037265744 174030285 /nfs/dbraw/zinc/03/02/85/174030285.db2.gz FZXRNPPBIOVNEW-UHFFFAOYSA-N 1 3 234.343 1.756 10 0 BDAEHO COCCCN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000031994544 174230738 /nfs/dbraw/zinc/23/07/38/174230738.db2.gz YWOVKUMHWPADDD-CYBMUJFWSA-N 1 3 226.364 1.489 10 0 BDAEHO COCCC[N@@H+]1CCC[C@@]2(CCCNC2)C1 ZINC000031994544 174230739 /nfs/dbraw/zinc/23/07/39/174230739.db2.gz YWOVKUMHWPADDD-CYBMUJFWSA-N 1 3 226.364 1.489 10 0 BDAEHO COCCC[N@H+]1CCC[C@@]2(CCCNC2)C1 ZINC000031994544 174230740 /nfs/dbraw/zinc/23/07/40/174230740.db2.gz YWOVKUMHWPADDD-CYBMUJFWSA-N 1 3 226.364 1.489 10 0 BDAEHO COCCN(C[C@](C)([NH3+])C1CC1)[C@@H](C)C1CC1 ZINC000042689297 174297615 /nfs/dbraw/zinc/29/76/15/174297615.db2.gz AYBXCOXNVAADKH-FZMZJTMJSA-N 1 3 240.391 1.861 10 0 BDAEHO COCC[N@H+](C[C@](C)(N)C1CC1)[C@@H](C)C1CC1 ZINC000042689297 174297616 /nfs/dbraw/zinc/29/76/16/174297616.db2.gz AYBXCOXNVAADKH-FZMZJTMJSA-N 1 3 240.391 1.861 10 0 BDAEHO COCC[N@@H+](C[C@](C)(N)C1CC1)[C@@H](C)C1CC1 ZINC000042689297 174297618 /nfs/dbraw/zinc/29/76/18/174297618.db2.gz AYBXCOXNVAADKH-FZMZJTMJSA-N 1 3 240.391 1.861 10 0 BDAEHO COc1ccc(CC[N@H+](C)C[C@@H](C)CN)cc1 ZINC000049828325 175089622 /nfs/dbraw/zinc/08/96/22/175089622.db2.gz BYTYJGKLLPBJSV-LBPRGKRZSA-N 1 3 236.359 1.764 10 0 BDAEHO COc1ccc(CC[N@@H+](C)C[C@@H](C)CN)cc1 ZINC000049828325 175089624 /nfs/dbraw/zinc/08/96/24/175089624.db2.gz BYTYJGKLLPBJSV-LBPRGKRZSA-N 1 3 236.359 1.764 10 0 BDAEHO C[C@@H]1CCN(CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000044510698 176169873 /nfs/dbraw/zinc/16/98/73/176169873.db2.gz MQACKZGAGONALR-OLZOCXBDSA-N 1 3 226.364 1.629 10 0 BDAEHO C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000044510698 176169874 /nfs/dbraw/zinc/16/98/74/176169874.db2.gz MQACKZGAGONALR-OLZOCXBDSA-N 1 3 226.364 1.629 10 0 BDAEHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000044510698 176169876 /nfs/dbraw/zinc/16/98/76/176169876.db2.gz MQACKZGAGONALR-OLZOCXBDSA-N 1 3 226.364 1.629 10 0 BDAEHO C[C@@H]1CN(CC2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000037482376 176286161 /nfs/dbraw/zinc/28/61/61/176286161.db2.gz KWHMOFFJKRSZIK-OKZRHMCRSA-N 1 3 226.364 1.613 10 0 BDAEHO C[C@@H]1CN(C[C@@H]2CCCCC[C@@H]2[NH3+])CCN1C ZINC000104143117 176297725 /nfs/dbraw/zinc/29/77/25/176297725.db2.gz RIXFDPNVBCYGLQ-RDBSUJKOSA-N 1 3 239.407 1.530 10 0 BDAEHO C[C@@H]1CN([C@@](C)(C[NH3+])C2CC2)CCCO1 ZINC000061915151 176317107 /nfs/dbraw/zinc/31/71/07/176317107.db2.gz VZOLMKMGUYIHNG-PWSUYJOCSA-N 1 3 212.337 1.225 10 0 BDAEHO C[C@@H]1C[NH2+]CCCN(C[C@@H]2CCCCO2)C1 ZINC000044417630 176324320 /nfs/dbraw/zinc/32/43/20/176324320.db2.gz NPGPMCPECQAQMA-OLZOCXBDSA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1CC1CCOCC1 ZINC000052173163 177189619 /nfs/dbraw/zinc/18/96/19/177189619.db2.gz FOCBECLADCKFDF-AAEUAGOBSA-N 1 3 226.364 1.472 10 0 BDAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1CC1CCOCC1 ZINC000052173163 177189621 /nfs/dbraw/zinc/18/96/21/177189621.db2.gz FOCBECLADCKFDF-AAEUAGOBSA-N 1 3 226.364 1.472 10 0 BDAEHO C[C@H]1CN(CCCCC[NH2+]C2CC2)CCN1C ZINC000104132392 177248434 /nfs/dbraw/zinc/24/84/34/177248434.db2.gz LXGMSUAPHWVTKK-ZDUSSCGKSA-N 1 3 239.407 1.545 10 0 BDAEHO C[C@H]1CN(CCC[C@@H]2CCC[NH2+]C2)CCN1C ZINC000104349861 177249633 /nfs/dbraw/zinc/24/96/33/177249633.db2.gz WUYGOGVQPRPYOO-KBPBESRZSA-N 1 3 239.407 1.402 10 0 BDAEHO C[C@H]1CN(CCN2CCCCC2)[C@@H](C)C[NH2+]1 ZINC000062611957 177251466 /nfs/dbraw/zinc/25/14/66/177251466.db2.gz WNPCFADLLSTMQP-STQMWFEESA-N 1 3 225.380 1.155 10 0 BDAEHO C[C@H](N[C@@H](CO)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400334859 225014152 /nfs/dbraw/zinc/01/41/52/225014152.db2.gz FQWSERZPJKDPBH-NWANDNLSSA-N 1 3 248.370 1.178 10 0 BDAEHO COCC1(CN[C@H](C)[C@H]2CC[NH2+]C2)CCC1 ZINC000400377283 226342046 /nfs/dbraw/zinc/34/20/46/226342046.db2.gz JBJDSSUPCDIZJQ-NEPJUHHUSA-N 1 3 226.364 1.391 10 0 BDAEHO CC(C)C[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)N(C)C ZINC000400350161 528532044 /nfs/dbraw/zinc/53/20/44/528532044.db2.gz JRFYCFGKHUAAIM-MELADBBJSA-N 1 3 241.423 1.550 10 0 BDAEHO CC[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000566555655 323004844 /nfs/dbraw/zinc/00/48/44/323004844.db2.gz HHSTZZZSDOQOFC-TUAOUCFPSA-N 1 3 214.353 1.125 10 0 BDAEHO CC[C@H](O)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566555655 323004845 /nfs/dbraw/zinc/00/48/45/323004845.db2.gz HHSTZZZSDOQOFC-TUAOUCFPSA-N 1 3 214.353 1.125 10 0 BDAEHO Cc1ncsc1CCN[C@H]1CCC[NH2+]CC1 ZINC000391189426 323099580 /nfs/dbraw/zinc/09/95/80/323099580.db2.gz NGOUTIGMWOUFEM-NSHDSACASA-N 1 3 239.388 1.726 10 0 BDAEHO C[C@H](NC[C@H]1CCCCS1)[C@@H]1CC[NH2+]C1 ZINC000400341724 324166827 /nfs/dbraw/zinc/16/68/27/324166827.db2.gz GWQIJGXDNHTFLF-QJPTWQEYSA-N 1 3 228.405 1.860 10 0 BDAEHO C[C@H](N[C@@H]1CSC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000568868847 326378791 /nfs/dbraw/zinc/37/87/91/326378791.db2.gz UWPNWJGDMRPROX-HBNTYKKESA-N 1 3 228.405 1.858 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CSC1(C)C)[C@@H]1CCCNC1 ZINC000568868847 326378793 /nfs/dbraw/zinc/37/87/93/326378793.db2.gz UWPNWJGDMRPROX-HBNTYKKESA-N 1 3 228.405 1.858 10 0 BDAEHO COCC1(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CCC1 ZINC000568974420 326384307 /nfs/dbraw/zinc/38/43/07/326384307.db2.gz QOPUXISGBUCZHX-QWHCGFSZSA-N 1 3 240.391 1.781 10 0 BDAEHO C[C@H](CC(C)(C)O)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000569093362 326389384 /nfs/dbraw/zinc/38/93/84/326389384.db2.gz LMITWSWNPQHFAG-UTUOFQBUSA-N 1 3 228.380 1.514 10 0 BDAEHO C[C@H](CC(C)(C)O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000569093362 326389386 /nfs/dbraw/zinc/38/93/86/326389386.db2.gz LMITWSWNPQHFAG-UTUOFQBUSA-N 1 3 228.380 1.514 10 0 BDAEHO CN(C)C1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000310537503 488099904 /nfs/dbraw/zinc/09/99/04/488099904.db2.gz RQZRZHNJUTUTCX-GXTWGEPZSA-N 1 3 240.391 1.564 10 0 BDAEHO CC(C)[C@@H](C)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000390221759 488141895 /nfs/dbraw/zinc/14/18/95/488141895.db2.gz ZHDAYYKRSUGSBT-CHWSQXEVSA-N 1 3 225.380 1.010 10 0 BDAEHO COC[C@@H](C)C[N@@H+]1CCC[C@]12CCCNC2 ZINC000757129277 582504882 /nfs/dbraw/zinc/50/48/82/582504882.db2.gz LAYRDXDLGLKRDM-STQMWFEESA-N 1 3 226.364 1.487 10 0 BDAEHO COC[C@@H](C)C[N@H+]1CCC[C@]12CCCNC2 ZINC000757129277 582504884 /nfs/dbraw/zinc/50/48/84/582504884.db2.gz LAYRDXDLGLKRDM-STQMWFEESA-N 1 3 226.364 1.487 10 0 BDAEHO C1CC[C@@H]2[NH2+]C3(CCNCC3)OC[C@H]2C1 ZINC000757138671 582518614 /nfs/dbraw/zinc/51/86/14/582518614.db2.gz CYVQUGFXWWUVOL-MNOVXSKESA-N 1 3 210.321 1.245 10 0 BDAEHO CCN1CCC2(CC1)[NH2+]C[C@@H]1CCC[C@H]1O2 ZINC000757138718 582518522 /nfs/dbraw/zinc/51/85/22/582518522.db2.gz DFDXIDWDRACKCA-NWDGAFQWSA-N 1 3 224.348 1.587 10 0 BDAEHO CCC[C@@H]1CCO[C@]2(CCCN(C)CC2)[NH2+]1 ZINC000757147722 582531372 /nfs/dbraw/zinc/53/13/72/582531372.db2.gz SQPNYSHFLRQLME-OLZOCXBDSA-N 1 3 226.364 1.977 10 0 BDAEHO C[N@@H+]1CCC[C@]2(CC1)N[C@@H](C1CC1)CCO2 ZINC000757148929 582532862 /nfs/dbraw/zinc/53/28/62/582532862.db2.gz VXGAIEHOKOACTK-OLZOCXBDSA-N 1 3 224.348 1.587 10 0 BDAEHO C[N@H+]1CCC[C@]2(CC1)N[C@@H](C1CC1)CCO2 ZINC000757148929 582532863 /nfs/dbraw/zinc/53/28/63/582532863.db2.gz VXGAIEHOKOACTK-OLZOCXBDSA-N 1 3 224.348 1.587 10 0 BDAEHO CN1CCC[C@]2(CC1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757148929 582532864 /nfs/dbraw/zinc/53/28/64/582532864.db2.gz VXGAIEHOKOACTK-OLZOCXBDSA-N 1 3 224.348 1.587 10 0 BDAEHO C[C@H](NCCc1cccc(F)c1)[C@H]1CC[NH2+]C1 ZINC000400513194 533872440 /nfs/dbraw/zinc/87/24/40/533872440.db2.gz MDLZHPVBTPMVDA-AAEUAGOBSA-N 1 3 236.334 1.956 10 0 BDAEHO CN(C[C@@H](O)C(C)(C)C)C[C@@H]1CC[N@H+](C)C1 ZINC000070823123 536414580 /nfs/dbraw/zinc/41/45/80/536414580.db2.gz QRFLDTMKYYXGQU-VXGBXAGGSA-N 1 3 228.380 1.277 10 0 BDAEHO CN(C[C@@H](O)C(C)(C)C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070823123 536414581 /nfs/dbraw/zinc/41/45/81/536414581.db2.gz QRFLDTMKYYXGQU-VXGBXAGGSA-N 1 3 228.380 1.277 10 0 BDAEHO CC(C)CCOCCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400743775 527759629 /nfs/dbraw/zinc/75/96/29/527759629.db2.gz UENXTLCWNRQVFC-CHWSQXEVSA-N 1 3 228.380 1.637 10 0 BDAEHO CCC(CC)(CO)CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400747438 528708010 /nfs/dbraw/zinc/70/80/10/528708010.db2.gz UTUGANCAHLESMO-RYUDHWBXSA-N 1 3 228.380 1.373 10 0 BDAEHO CC(C)N1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000043568974 535202297 /nfs/dbraw/zinc/20/22/97/535202297.db2.gz UVWJAPZAFFCJTF-UHFFFAOYSA-N 1 3 220.320 1.194 10 0 BDAEHO CC[C@H](COC)[NH2+][C@H]1CCC[C@H]1CN ZINC000251030728 536122365 /nfs/dbraw/zinc/12/23/65/536122365.db2.gz AFORADNUJQKUDK-AXFHLTTASA-N 1 3 200.326 1.128 10 0 BDAEHO CN(C[C@@H](O)C(C)(C)C)C[C@H]1CC[N@H+](C)C1 ZINC000250708672 536415659 /nfs/dbraw/zinc/41/56/59/536415659.db2.gz QRFLDTMKYYXGQU-NWDGAFQWSA-N 1 3 228.380 1.277 10 0 BDAEHO CN(C[C@@H](O)C(C)(C)C)C[C@H]1CC[N@@H+](C)C1 ZINC000250708672 536415661 /nfs/dbraw/zinc/41/56/61/536415661.db2.gz QRFLDTMKYYXGQU-NWDGAFQWSA-N 1 3 228.380 1.277 10 0 BDAEHO COCCC[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757130882 582504914 /nfs/dbraw/zinc/50/49/14/582504914.db2.gz OKFGBVQXBQCOFL-STQMWFEESA-N 1 3 226.364 1.487 10 0 BDAEHO COCCC[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757130882 582504917 /nfs/dbraw/zinc/50/49/17/582504917.db2.gz OKFGBVQXBQCOFL-STQMWFEESA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@@H]1CC(C)(C)C[C@]2(C1)[NH2+]CCC1(CNC1)O2 ZINC000757146320 582529900 /nfs/dbraw/zinc/52/99/00/582529900.db2.gz KFZVTQFZWKUSSM-BXUZGUMPSA-N 1 3 238.375 1.881 10 0 BDAEHO CC(C)(C)[C@H]1CCOC2(CCNCC2)[NH2+]1 ZINC000757139719 586427550 /nfs/dbraw/zinc/42/75/50/586427550.db2.gz JJDUQTAUMZMEQS-SNVBAGLBSA-N 1 3 212.337 1.491 10 0 BDAEHO N[C@H]1CC[C@@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757213631 586439852 /nfs/dbraw/zinc/43/98/52/586439852.db2.gz LGBOEFDMKBOAFS-JQWIXIFHSA-N 1 3 215.300 1.920 10 0 BDAEHO CC(=O)c1ccc([C@H]2C[NH2+]CC[C@H]2N)cc1 ZINC000757213423 586439930 /nfs/dbraw/zinc/43/99/30/586439930.db2.gz KEIGGQGJKMKQHU-CHWSQXEVSA-N 1 3 218.300 1.293 10 0 BDAEHO CC(=O)c1ccc([C@H]2CNCC[C@H]2[NH3+])cc1 ZINC000757213423 586439931 /nfs/dbraw/zinc/43/99/31/586439931.db2.gz KEIGGQGJKMKQHU-CHWSQXEVSA-N 1 3 218.300 1.293 10 0 BDAEHO CN(C[C@@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000250377966 635470069 /nfs/dbraw/zinc/47/00/69/635470069.db2.gz IRFPNBAPLVTDPV-RYUDHWBXSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@@H](Cc1ccco1)N[C@@H]1CCC[NH2+]CC1 ZINC000168724008 633146749 /nfs/dbraw/zinc/14/67/49/633146749.db2.gz VRQIYKNWEUTVKI-NWDGAFQWSA-N 1 3 222.332 1.942 10 0 BDAEHO [NH3+]C[C@@H]1CCN([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000250827185 635498044 /nfs/dbraw/zinc/49/80/44/635498044.db2.gz YIGJNWGQFWEZSG-FPMFFAJLSA-N 1 3 216.328 1.823 10 0 BDAEHO C[C@H]1CN2CCCC[C@@H]2CN1C[C@H]1CCC[NH2+]1 ZINC000227650122 640844152 /nfs/dbraw/zinc/84/41/52/640844152.db2.gz GPMYQYDMYDTXTA-BFHYXJOUSA-N 1 3 237.391 1.297 10 0 BDAEHO CC(C)OC[C@H](O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000252682722 644878500 /nfs/dbraw/zinc/87/85/00/644878500.db2.gz COQROLKSQMNNLO-OLZOCXBDSA-N 1 3 246.395 1.078 10 0 BDAEHO CC1(C)CC[C@H](CN[C@H]2CCC[NH2+]CC2)OC1 ZINC000711390896 712297479 /nfs/dbraw/zinc/29/74/79/712297479.db2.gz PGSBJAPKXVVFAR-QWHCGFSZSA-N 1 3 240.391 1.923 10 0 BDAEHO C(NC1CC[NH2+]CC1)[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722312393 711734554 /nfs/dbraw/zinc/73/45/54/711734554.db2.gz KUMWMRSDBFXJST-STQMWFEESA-N 1 3 224.348 1.286 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722312393 711734556 /nfs/dbraw/zinc/73/45/56/711734556.db2.gz KUMWMRSDBFXJST-STQMWFEESA-N 1 3 224.348 1.286 10 0 BDAEHO CO[C@H]1C[C@H](NC2CC([NH+](C)C)C2)C12CCC2 ZINC000701483227 712024206 /nfs/dbraw/zinc/02/42/06/712024206.db2.gz OSKOLFBQUSDPAV-TYUFSLCMSA-N 1 3 238.375 1.626 10 0 BDAEHO C[C@@H]1CN(C[C@@H](O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000708813953 712199387 /nfs/dbraw/zinc/19/93/87/712199387.db2.gz GMZYKURPMVGZOP-KWCYVHTRSA-N 1 3 234.343 1.247 10 0 BDAEHO C[C@H]1CN(C[C@@H](O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000708851946 712201263 /nfs/dbraw/zinc/20/12/63/712201263.db2.gz GMZYKURPMVGZOP-FPMFFAJLSA-N 1 3 234.343 1.247 10 0 BDAEHO [NH3+][C@H]1C[C@@H](CNc2ccnc3ccccc32)C1 ZINC000715067332 712505708 /nfs/dbraw/zinc/50/57/08/712505708.db2.gz NRILAEBZYIJWLG-PHIMTYICSA-N 1 3 227.311 1.806 10 0 BDAEHO C[C@H]1CN(CCc2ccns2)C[C@@H]1C[NH3+] ZINC000719873039 712824717 /nfs/dbraw/zinc/82/47/17/712824717.db2.gz ONUJMEFTHBMYNM-UWVGGRQHSA-N 1 3 225.361 1.212 10 0 BDAEHO C[N@@H+]1CC[C@@H](N)C12CCC(F)(F)CC2 ZINC000685953379 538897763 /nfs/dbraw/zinc/89/77/63/538897763.db2.gz GUEXBXDNWSWCNP-MRVPVSSYSA-N 1 3 204.264 1.597 10 0 BDAEHO C[N@H+]1CC[C@@H](N)C12CCC(F)(F)CC2 ZINC000685953379 538897765 /nfs/dbraw/zinc/89/77/65/538897765.db2.gz GUEXBXDNWSWCNP-MRVPVSSYSA-N 1 3 204.264 1.597 10 0 BDAEHO CCCN1CC[C@H]([NH3+])[C@@]12CCCSC2 ZINC000685955228 538900777 /nfs/dbraw/zinc/90/07/77/538900777.db2.gz WJEVZOCOEZQWOT-QWRGUYRKSA-N 1 3 214.378 1.695 10 0 BDAEHO c1ccc(C2([NH+]3CCC3)CCNCC2)cc1 ZINC000685961349 538908336 /nfs/dbraw/zinc/90/83/36/538908336.db2.gz QUDZSKMKCJMJCA-UHFFFAOYSA-N 1 3 216.328 1.971 10 0 BDAEHO CN(Cc1cc(F)cc(C[NH3+])c1)C1CC1 ZINC000162822579 538924747 /nfs/dbraw/zinc/92/47/47/538924747.db2.gz UKMRXESMTIXGTN-UHFFFAOYSA-N 1 3 208.280 1.879 10 0 BDAEHO Cc1cc(C)n(CCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000386772759 398219722 /nfs/dbraw/zinc/21/97/22/398219722.db2.gz KSQWGZLAIZVLTE-BFHYXJOUSA-N 1 3 248.374 1.169 10 0 BDAEHO Cc1cc(C)n(CCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000386772760 398219628 /nfs/dbraw/zinc/21/96/28/398219628.db2.gz KSQWGZLAIZVLTE-IHRRRGAJSA-N 1 3 248.374 1.169 10 0 BDAEHO C[C@H](CN1CCCSCC1)[C@H](C)[NH3+] ZINC000228595340 398325112 /nfs/dbraw/zinc/32/51/12/398325112.db2.gz SXFQBZGVQPHRCJ-ZJUUUORDSA-N 1 3 202.367 1.409 10 0 BDAEHO CCC1([NH+]2CCNCC2)CCN(C2CC2)CC1 ZINC000584882641 343085149 /nfs/dbraw/zinc/08/51/49/343085149.db2.gz SWDQSTWVGHCTME-UHFFFAOYSA-N 1 3 237.391 1.299 10 0 BDAEHO C[C@@H]([NH2+]CCC[C@H](C)CO)[C@@H]1CCCNC1 ZINC000562959455 323035342 /nfs/dbraw/zinc/03/53/42/323035342.db2.gz QFKGYGCSPYZGQY-YNEHKIRRSA-N 1 3 228.380 1.373 10 0 BDAEHO CC(C)N(C)[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000022220672 187254576 /nfs/dbraw/zinc/25/45/76/187254576.db2.gz UZSYHSOBHWOKNC-LLVKDONJSA-N 1 3 249.358 1.813 10 0 BDAEHO C=C=CCNCCC[NH2+]CCCNCC=C=C ZINC000028770127 187255611 /nfs/dbraw/zinc/25/56/11/187255611.db2.gz MXBZDDOCCZCAAJ-UHFFFAOYSA-N 1 3 235.375 1.218 10 0 BDAEHO COCCN(CCOC)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000036199172 187259489 /nfs/dbraw/zinc/25/94/89/187259489.db2.gz UCTNGFFUORETFA-OLZOCXBDSA-N 1 3 244.379 1.099 10 0 BDAEHO Cc1n[nH]cc1CNCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038019238 187262295 /nfs/dbraw/zinc/26/22/95/187262295.db2.gz YKFNOANYLVVZJV-QXMXGUDHSA-N 1 3 248.374 1.681 10 0 BDAEHO Cc1n[nH]cc1CNCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038019238 187262296 /nfs/dbraw/zinc/26/22/96/187262296.db2.gz YKFNOANYLVVZJV-QXMXGUDHSA-N 1 3 248.374 1.681 10 0 BDAEHO C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CCCNC1 ZINC000584107183 343597412 /nfs/dbraw/zinc/59/74/12/343597412.db2.gz NUCZNYLKHRGXMH-TZMCWYRMSA-N 1 3 248.370 1.912 10 0 BDAEHO C[C@@H](NCCc1ccc(O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000584107183 343597413 /nfs/dbraw/zinc/59/74/13/343597413.db2.gz NUCZNYLKHRGXMH-TZMCWYRMSA-N 1 3 248.370 1.912 10 0 BDAEHO C[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000052395784 343599949 /nfs/dbraw/zinc/59/99/49/343599949.db2.gz YGVVGRFXNKZDQM-DGCLKSJQSA-N 1 3 249.358 1.013 10 0 BDAEHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000584183450 343770934 /nfs/dbraw/zinc/77/09/34/343770934.db2.gz IULZUXAHRJQFKI-MGPQQGTHSA-N 1 3 240.391 1.611 10 0 BDAEHO CN(c1ccnc(CN)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000053249214 187272280 /nfs/dbraw/zinc/27/22/80/187272280.db2.gz DDQDCYBPOLCTDQ-CYBMUJFWSA-N 1 3 234.347 1.071 10 0 BDAEHO CN(c1ccnc(CN)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053249214 187272282 /nfs/dbraw/zinc/27/22/82/187272282.db2.gz DDQDCYBPOLCTDQ-CYBMUJFWSA-N 1 3 234.347 1.071 10 0 BDAEHO COC[C@@H]1C[N@@H+](C2CCNCC2)CC12CCC2 ZINC000409434505 343829177 /nfs/dbraw/zinc/82/91/77/343829177.db2.gz PPLXZFGQSZGVKC-LBPRGKRZSA-N 1 3 238.375 1.487 10 0 BDAEHO COC[C@@H]1C[N@H+](C2CCNCC2)CC12CCC2 ZINC000409434505 343829178 /nfs/dbraw/zinc/82/91/78/343829178.db2.gz PPLXZFGQSZGVKC-LBPRGKRZSA-N 1 3 238.375 1.487 10 0 BDAEHO CS[C@@H]1CCC[C@@H]1N1CCC([NH3+])CC1 ZINC000235121445 344804415 /nfs/dbraw/zinc/80/44/15/344804415.db2.gz XQUJUONLZGFRQJ-WDEREUQCSA-N 1 3 214.378 1.694 10 0 BDAEHO CS[C@@H]1CCC[C@@H]1[NH+]1CCC(N)CC1 ZINC000235121445 344804416 /nfs/dbraw/zinc/80/44/16/344804416.db2.gz XQUJUONLZGFRQJ-WDEREUQCSA-N 1 3 214.378 1.694 10 0 BDAEHO C[C@@H]1CN(Cc2ccsc2)C[C@@H]1C[NH3+] ZINC000634998239 345198174 /nfs/dbraw/zinc/19/81/74/345198174.db2.gz CJPCEGHBWORHMF-KOLCDFICSA-N 1 3 210.346 1.775 10 0 BDAEHO [NH3+][C@H]1CC[C@H](NCC(=O)c2ccco2)CC1 ZINC000257352656 345774512 /nfs/dbraw/zinc/77/45/12/345774512.db2.gz MMRZAZCGNYKUMD-MGCOHNPYSA-N 1 3 222.288 1.322 10 0 BDAEHO CC[C@@H]1CN(Cc2ccccc2)CC[C@@]1(O)C[NH3+] ZINC000307700344 345904132 /nfs/dbraw/zinc/90/41/32/345904132.db2.gz LWSCMQGDXGIKOZ-HUUCEWRRSA-N 1 3 248.370 1.608 10 0 BDAEHO C[N@H+](C1CCC1)[C@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000143674867 345910468 /nfs/dbraw/zinc/91/04/68/345910468.db2.gz HATBHBIKZPYZQK-RYUDHWBXSA-N 1 3 240.347 1.094 10 0 BDAEHO C[N@@H+](C1CCC1)[C@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000143674867 345910470 /nfs/dbraw/zinc/91/04/70/345910470.db2.gz HATBHBIKZPYZQK-RYUDHWBXSA-N 1 3 240.347 1.094 10 0 BDAEHO CO[C@H](C)C[N@@H+]1CCCNC(C)(C)C1 ZINC000167633728 346293437 /nfs/dbraw/zinc/29/34/37/346293437.db2.gz HDPXMEDBKBLORQ-SNVBAGLBSA-N 1 3 200.326 1.095 10 0 BDAEHO CO[C@H](C)C[N@H+]1CCCNC(C)(C)C1 ZINC000167633728 346293441 /nfs/dbraw/zinc/29/34/41/346293441.db2.gz HDPXMEDBKBLORQ-SNVBAGLBSA-N 1 3 200.326 1.095 10 0 BDAEHO c1ccc(COCCCC[NH2+][C@@H]2CCNC2)cc1 ZINC000390588253 259394574 /nfs/dbraw/zinc/39/45/74/259394574.db2.gz OQPMDJKPGOMGNY-OAHLLOKOSA-N 1 3 248.370 1.935 10 0 BDAEHO C[NH2+]C[C@@H]1CCCN([C@H]2CCSC2)C1 ZINC000250715514 362818175 /nfs/dbraw/zinc/81/81/75/362818175.db2.gz GZRAJPODPKZBQG-QWRGUYRKSA-N 1 3 214.378 1.423 10 0 BDAEHO Cc1ccccc1CC[N@@H+]1CCCNCC1 ZINC000041231912 179262872 /nfs/dbraw/zinc/26/28/72/179262872.db2.gz RTQXVUVSVZWOPY-UHFFFAOYSA-N 1 3 218.344 1.833 10 0 BDAEHO Cc1ccccc1CC[N@H+]1CCCNCC1 ZINC000041231912 179262875 /nfs/dbraw/zinc/26/28/75/179262875.db2.gz RTQXVUVSVZWOPY-UHFFFAOYSA-N 1 3 218.344 1.833 10 0 BDAEHO CS[C@H]1CCC[N@@H+](C2CC(N)C2)CC1 ZINC000300840378 362909305 /nfs/dbraw/zinc/90/93/05/362909305.db2.gz MBNKVWWNDDWSQQ-ILDUYXDCSA-N 1 3 214.378 1.694 10 0 BDAEHO CS[C@H]1CCC[N@H+](C2CC(N)C2)CC1 ZINC000300840378 362909307 /nfs/dbraw/zinc/90/93/07/362909307.db2.gz MBNKVWWNDDWSQQ-ILDUYXDCSA-N 1 3 214.378 1.694 10 0 BDAEHO CS[C@H]1CCCN(C2CC([NH3+])C2)CC1 ZINC000300840378 362909310 /nfs/dbraw/zinc/90/93/10/362909310.db2.gz MBNKVWWNDDWSQQ-ILDUYXDCSA-N 1 3 214.378 1.694 10 0 BDAEHO C[C@H]1CCCN1[C@@]1(C[NH3+])CCSC1 ZINC000216244834 349988690 /nfs/dbraw/zinc/98/86/90/349988690.db2.gz ZTBWPZHMBGLQJR-VHSXEESVSA-N 1 3 200.351 1.305 10 0 BDAEHO CCN1CCC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250228495 349168750 /nfs/dbraw/zinc/16/87/50/349168750.db2.gz FTRAGLXJAYIQHV-AVGNSLFASA-N 1 3 225.380 1.330 10 0 BDAEHO CC[C@H](N)[C@@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000217535542 350060284 /nfs/dbraw/zinc/06/02/84/350060284.db2.gz LUSHDEIRGGAERP-AXFHLTTASA-N 1 3 200.326 1.223 10 0 BDAEHO CC[C@H](N)[C@@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000217535542 350060288 /nfs/dbraw/zinc/06/02/88/350060288.db2.gz LUSHDEIRGGAERP-AXFHLTTASA-N 1 3 200.326 1.223 10 0 BDAEHO N[C@@H]1CCC[N@H+](C[C@H]2CCCCS2)C1 ZINC000250826270 350886211 /nfs/dbraw/zinc/88/62/11/350886211.db2.gz HPSAFYUEEBVJRY-GHMZBOCLSA-N 1 3 214.378 1.695 10 0 BDAEHO N[C@@H]1CCC[N@@H+](C[C@H]2CCCCS2)C1 ZINC000250826270 350886214 /nfs/dbraw/zinc/88/62/14/350886214.db2.gz HPSAFYUEEBVJRY-GHMZBOCLSA-N 1 3 214.378 1.695 10 0 BDAEHO C[C@H]1C[C@H](N(C)C2CC([NH3+])C2)CS1 ZINC000306853345 351177102 /nfs/dbraw/zinc/17/71/02/351177102.db2.gz SYVQMYCJBYLBMU-NFTFJBJSSA-N 1 3 200.351 1.302 10 0 BDAEHO C[C@@H]1C[C@@H](N(C)C2CC([NH3+])C2)CS1 ZINC000306853346 351177237 /nfs/dbraw/zinc/17/72/37/351177237.db2.gz SYVQMYCJBYLBMU-SEZDTBSWSA-N 1 3 200.351 1.302 10 0 BDAEHO C[C@H]1[C@@H](N)CC[N@@H+]1CC1CC(F)(F)C1 ZINC000307254571 351789407 /nfs/dbraw/zinc/78/94/07/351789407.db2.gz XZXDHQDSMGBNAX-CBAPKCEASA-N 1 3 204.264 1.453 10 0 BDAEHO C[C@H]1[C@@H](N)CC[N@H+]1CC1CC(F)(F)C1 ZINC000307254571 351789410 /nfs/dbraw/zinc/78/94/10/351789410.db2.gz XZXDHQDSMGBNAX-CBAPKCEASA-N 1 3 204.264 1.453 10 0 BDAEHO N[C@H](C[NH2+]Cc1ccccc1)CC1CC1 ZINC000307275568 351830871 /nfs/dbraw/zinc/83/08/71/351830871.db2.gz RFHAKVFMBQHMTP-ZDUSSCGKSA-N 1 3 204.317 1.904 10 0 BDAEHO COCCCNC[C@@H]1C[NH2+]CC12CCC2 ZINC000725269334 538101668 /nfs/dbraw/zinc/10/16/68/538101668.db2.gz RLONJQBEJCGNBL-LLVKDONJSA-N 1 3 212.337 1.002 10 0 BDAEHO C[C@H](CN)[C@@H](C)[N@@H+]1CCS[C@H](C)CC1 ZINC000307494425 352624979 /nfs/dbraw/zinc/62/49/79/352624979.db2.gz HTHLDRSEOCTVEW-GMTAPVOTSA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@H](CN)[C@@H](C)[N@H+]1CCS[C@H](C)CC1 ZINC000307494425 352624982 /nfs/dbraw/zinc/62/49/82/352624982.db2.gz HTHLDRSEOCTVEW-GMTAPVOTSA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@H](C[NH3+])[C@@H](C)N1CCS[C@H](C)CC1 ZINC000307494425 352624986 /nfs/dbraw/zinc/62/49/86/352624986.db2.gz HTHLDRSEOCTVEW-GMTAPVOTSA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@@H]1CSC[C@@H]1[N@@H+]1CC[C@H](CN)C1 ZINC000307514914 352631716 /nfs/dbraw/zinc/63/17/16/352631716.db2.gz OYDXYOQZDJADEK-BBBLOLIVSA-N 1 3 200.351 1.019 10 0 BDAEHO C[C@@H]1CSC[C@@H]1[N@H+]1CC[C@H](CN)C1 ZINC000307514914 352631719 /nfs/dbraw/zinc/63/17/19/352631719.db2.gz OYDXYOQZDJADEK-BBBLOLIVSA-N 1 3 200.351 1.019 10 0 BDAEHO [NH3+][C@H](CCN1CCCC1)c1ccncc1 ZINC000083986071 355213623 /nfs/dbraw/zinc/21/36/23/355213623.db2.gz PBPHEBOGIGCYBN-GFCCVEGCSA-N 1 3 205.305 1.567 10 0 BDAEHO C[NH+](C)C[C@H]1CCN(CCCCCO)C1 ZINC000113515681 355251926 /nfs/dbraw/zinc/25/19/26/355251926.db2.gz MPBGLMVWDHINLB-GFCCVEGCSA-N 1 3 214.353 1.033 10 0 BDAEHO NC(=[NH2+])CCCCN1CCN(CC2CC2)CC1 ZINC000049579808 181186408 /nfs/dbraw/zinc/18/64/08/181186408.db2.gz JDDOHNJWPGNQNR-UHFFFAOYSA-N 1 3 238.379 1.120 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCC[C@H]1CN)[C@@H]1CCCOC1 ZINC000389066042 355582375 /nfs/dbraw/zinc/58/23/75/355582375.db2.gz LIVYDOOPFSYCAW-WUHRBBMRSA-N 1 3 226.364 1.519 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCC[C@H]1CN)[C@H]1CCCOC1 ZINC000389066043 355582418 /nfs/dbraw/zinc/58/24/18/355582418.db2.gz LIVYDOOPFSYCAW-ZDEQEGDKSA-N 1 3 226.364 1.519 10 0 BDAEHO C[C@H](NCCc1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000582480702 357316929 /nfs/dbraw/zinc/31/69/29/357316929.db2.gz QRGBEMHHAOBOSG-GXTWGEPZSA-N 1 3 233.359 1.602 10 0 BDAEHO C[C@H]([NH2+]CCc1cccnc1)[C@@H]1CCCNC1 ZINC000582480702 357316932 /nfs/dbraw/zinc/31/69/32/357316932.db2.gz QRGBEMHHAOBOSG-GXTWGEPZSA-N 1 3 233.359 1.602 10 0 BDAEHO CC(C)(C)C1CCC([NH3+])(C2=NCCN2)CC1 ZINC000685948113 538890301 /nfs/dbraw/zinc/89/03/01/538890301.db2.gz XZTHEVVBVPJHSY-UHFFFAOYSA-N 1 3 223.364 1.922 10 0 BDAEHO CC1CC[NH+](C2[C@@H](C)CNC[C@@H]2C)CC1 ZINC000685951754 538895047 /nfs/dbraw/zinc/89/50/47/538895047.db2.gz XKRHNIMQSSRHGJ-RYUDHWBXSA-N 1 3 210.365 1.962 10 0 BDAEHO COC[C@@H]1CC[N@@H+](C2[C@H](C)CNC[C@H]2C)C1 ZINC000685951401 538895307 /nfs/dbraw/zinc/89/53/07/538895307.db2.gz SQWHUIKGYQMCLR-IJLUTSLNSA-N 1 3 226.364 1.199 10 0 BDAEHO COC[C@@H]1CC[N@H+](C2[C@H](C)CNC[C@H]2C)C1 ZINC000685951401 538895308 /nfs/dbraw/zinc/89/53/08/538895308.db2.gz SQWHUIKGYQMCLR-IJLUTSLNSA-N 1 3 226.364 1.199 10 0 BDAEHO COC[C@@H]1CC[N@@H+](C2[C@@H](C)CNC[C@@H]2C)C1 ZINC000685951403 538895388 /nfs/dbraw/zinc/89/53/88/538895388.db2.gz SQWHUIKGYQMCLR-SDDRHHMPSA-N 1 3 226.364 1.199 10 0 BDAEHO COC[C@@H]1CC[N@H+](C2[C@@H](C)CNC[C@@H]2C)C1 ZINC000685951403 538895390 /nfs/dbraw/zinc/89/53/90/538895390.db2.gz SQWHUIKGYQMCLR-SDDRHHMPSA-N 1 3 226.364 1.199 10 0 BDAEHO CC1CC[NH+]([C@H]2[C@H](C)CNC[C@@H]2C)CC1 ZINC000685951753 538895582 /nfs/dbraw/zinc/89/55/82/538895582.db2.gz XKRHNIMQSSRHGJ-ITGUQSILSA-N 1 3 210.365 1.962 10 0 BDAEHO CSCCCCC[NH2+][C@@H]1CCNC1 ZINC000235171873 357854270 /nfs/dbraw/zinc/85/42/70/357854270.db2.gz XQLMCRHPGHOONJ-SNVBAGLBSA-N 1 3 202.367 1.471 10 0 BDAEHO CC(C)COCCC[NH2+][C@H]1CCCNCC1 ZINC000168711242 134246587 /nfs/dbraw/zinc/24/65/87/134246587.db2.gz BRTZZSBYJKWIJL-ZDUSSCGKSA-N 1 3 228.380 1.781 10 0 BDAEHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)CN1CCCC1 ZINC000226229876 358336502 /nfs/dbraw/zinc/33/65/02/358336502.db2.gz RLUUGCCWFIPHCH-MGPQQGTHSA-N 1 3 240.391 1.611 10 0 BDAEHO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](N)C2)C1 ZINC000300390301 358987725 /nfs/dbraw/zinc/98/77/25/358987725.db2.gz RDKWSXCYWIIKCR-ZRUFSTJUSA-N 1 3 214.378 1.740 10 0 BDAEHO C[C@@H]1CSC[C@@H]1N1CCC[C@H]1C[NH3+] ZINC000306257676 359472627 /nfs/dbraw/zinc/47/26/27/359472627.db2.gz QNAHTWXQHBWLFW-UTLUCORTSA-N 1 3 200.351 1.161 10 0 BDAEHO CC1(C)CN([C@H]2CCSC2)CCC[NH2+]1 ZINC000231421909 360335618 /nfs/dbraw/zinc/33/56/18/360335618.db2.gz PGGIIWDTEDIGEP-JTQLQIEISA-N 1 3 214.378 1.566 10 0 BDAEHO C[C@@H](CC(N)=[NH2+])N1CCSC[C@@H]1C ZINC000069761061 360409030 /nfs/dbraw/zinc/40/90/30/360409030.db2.gz VTTVNSLTHKCKHS-YUMQZZPRSA-N 1 3 201.339 1.138 10 0 BDAEHO COC(C)(C)[C@H](CN)[NH2+]Cc1ccccc1 ZINC000306545904 360414765 /nfs/dbraw/zinc/41/47/65/360414765.db2.gz WIJYMVHEMHUECR-LBPRGKRZSA-N 1 3 222.332 1.529 10 0 BDAEHO C[C@@H]1CSCCN1[C@@H]1CCC[NH2+]CC1 ZINC000069761862 360421462 /nfs/dbraw/zinc/42/14/62/360421462.db2.gz VQSPBDVAJFBPSG-GHMZBOCLSA-N 1 3 214.378 1.566 10 0 BDAEHO c1ccc2c(c1)CO[C@H](C[NH2+]C1CCNCC1)C2 ZINC000629514346 361111380 /nfs/dbraw/zinc/11/13/80/361111380.db2.gz REYWGQDOLMEVFU-HNNXBMFYSA-N 1 3 246.354 1.470 10 0 BDAEHO NC1(C[NH2+]C[C@H]2CCCCO2)CCCC1 ZINC000042825598 181332495 /nfs/dbraw/zinc/33/24/95/181332495.db2.gz HMCWIOKCRIHWNY-LLVKDONJSA-N 1 3 212.337 1.417 10 0 BDAEHO C[C@@H]1[NH2+]CC[C@H]1Nc1ccnc2ccccc21 ZINC000630546867 364240199 /nfs/dbraw/zinc/24/01/99/364240199.db2.gz WQOQWFAFAUPQDU-CMPLNLGQSA-N 1 3 227.311 1.819 10 0 BDAEHO C[C@H](N[C@@H]1CO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000581608618 367631666 /nfs/dbraw/zinc/63/16/66/367631666.db2.gz ZOCNNVWHFMUDEG-RHYQMDGZSA-N 1 3 212.337 1.142 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CCCNC1 ZINC000581608618 367631667 /nfs/dbraw/zinc/63/16/67/367631667.db2.gz ZOCNNVWHFMUDEG-RHYQMDGZSA-N 1 3 212.337 1.142 10 0 BDAEHO OC[C@@H]([NH2+][C@@H]1CCCNCC1)C1CCCC1 ZINC000385975953 367891430 /nfs/dbraw/zinc/89/14/30/367891430.db2.gz HKALCONKCSKFIY-CHWSQXEVSA-N 1 3 226.364 1.269 10 0 BDAEHO OC[C@@H](N[C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000385975953 367891436 /nfs/dbraw/zinc/89/14/36/367891436.db2.gz HKALCONKCSKFIY-CHWSQXEVSA-N 1 3 226.364 1.269 10 0 BDAEHO OC[C@@H]([NH2+][C@H]1CCCNCC1)C1CCCCC1 ZINC000386305924 367948078 /nfs/dbraw/zinc/94/80/78/367948078.db2.gz WEDPFBQXMCQLEB-UONOGXRCSA-N 1 3 240.391 1.659 10 0 BDAEHO OC[C@@H](N[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000386305924 367948080 /nfs/dbraw/zinc/94/80/80/367948080.db2.gz WEDPFBQXMCQLEB-UONOGXRCSA-N 1 3 240.391 1.659 10 0 BDAEHO N[C@@H]1CC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000252981170 368177280 /nfs/dbraw/zinc/17/72/80/368177280.db2.gz PYKJBTVBLRMNEU-UTLUCORTSA-N 1 3 200.351 1.351 10 0 BDAEHO [NH3+][C@@H]1CC[C@H](N[C@H]2CCCSC2)C1 ZINC000252981170 368177287 /nfs/dbraw/zinc/17/72/87/368177287.db2.gz PYKJBTVBLRMNEU-UTLUCORTSA-N 1 3 200.351 1.351 10 0 BDAEHO [NH3+]C[C@@H]1CNC[C@@H](COc2ccccc2)C1 ZINC000038458043 368326843 /nfs/dbraw/zinc/32/68/43/368326843.db2.gz RPHGNNWPPGODRX-NEPJUHHUSA-N 1 3 220.316 1.250 10 0 BDAEHO NC[C@@H]1C[NH2+]C[C@@H](COc2ccccc2)C1 ZINC000038458043 368326846 /nfs/dbraw/zinc/32/68/46/368326846.db2.gz RPHGNNWPPGODRX-NEPJUHHUSA-N 1 3 220.316 1.250 10 0 BDAEHO C[C@H](N[C@H]1CSC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000568868844 326380116 /nfs/dbraw/zinc/38/01/16/326380116.db2.gz UWPNWJGDMRPROX-AXFHLTTASA-N 1 3 228.405 1.858 10 0 BDAEHO C[C@H]([NH2+][C@H]1CSC1(C)C)[C@@H]1CCCNC1 ZINC000568868844 326380117 /nfs/dbraw/zinc/38/01/17/326380117.db2.gz UWPNWJGDMRPROX-AXFHLTTASA-N 1 3 228.405 1.858 10 0 BDAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1[C@@H]1CCSC1 ZINC000126702857 371543935 /nfs/dbraw/zinc/54/39/35/371543935.db2.gz LMKTYNGITJBRKS-OPRDCNLKSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@H](CN)C[N@H+]1[C@@H]1CCSC1 ZINC000126702857 371543939 /nfs/dbraw/zinc/54/39/39/371543939.db2.gz LMKTYNGITJBRKS-OPRDCNLKSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1SCC[N@H+](CC2(N)CC2)[C@H]1C ZINC000132489036 371836512 /nfs/dbraw/zinc/83/65/12/371836512.db2.gz NTNNFRURRBHVQK-IUCAKERBSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1SCC[N@@H+](CC2(N)CC2)[C@H]1C ZINC000132489036 371836521 /nfs/dbraw/zinc/83/65/21/371836521.db2.gz NTNNFRURRBHVQK-IUCAKERBSA-N 1 3 200.351 1.304 10 0 BDAEHO CC[C@@H]1C[N@@H+](C2(CN)CCC2)CCS1 ZINC000132960490 371957941 /nfs/dbraw/zinc/95/79/41/371957941.db2.gz JYPMFZSQVMWZOQ-SNVBAGLBSA-N 1 3 214.378 1.695 10 0 BDAEHO CC[C@@H]1C[N@H+](C2(CN)CCC2)CCS1 ZINC000132960490 371957949 /nfs/dbraw/zinc/95/79/49/371957949.db2.gz JYPMFZSQVMWZOQ-SNVBAGLBSA-N 1 3 214.378 1.695 10 0 BDAEHO C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)[C@H]1CCC[NH2+]C1 ZINC000521858997 259553666 /nfs/dbraw/zinc/55/36/66/259553666.db2.gz MCSIPWLQBLQQJF-NNYUYHANSA-N 1 3 226.364 1.124 10 0 BDAEHO C[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1CN ZINC000631836602 372624536 /nfs/dbraw/zinc/62/45/36/372624536.db2.gz CJXHFGCPMNXMFA-PWSUYJOCSA-N 1 3 210.365 1.949 10 0 BDAEHO C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1CN ZINC000631836602 372624543 /nfs/dbraw/zinc/62/45/43/372624543.db2.gz CJXHFGCPMNXMFA-PWSUYJOCSA-N 1 3 210.365 1.949 10 0 BDAEHO C[C@H]1CN(CCc2cccnc2)C[C@H]1C[NH3+] ZINC000631841072 372638431 /nfs/dbraw/zinc/63/84/31/372638431.db2.gz XUAIROFBYQHYAW-WCQYABFASA-N 1 3 219.332 1.151 10 0 BDAEHO C[C@@H](c1cccnc1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841052 372639206 /nfs/dbraw/zinc/63/92/06/372639206.db2.gz XNCBJRYFVSRNOG-MDZLAQPJSA-N 1 3 219.332 1.669 10 0 BDAEHO CCCN(C)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000104313255 169081671 /nfs/dbraw/zinc/08/16/71/169081671.db2.gz RCDRPQHLHXIDFE-CQSZACIVSA-N 1 3 240.391 1.877 10 0 BDAEHO CCC[N@H+](C)C[C@]1(CNC2CC2)CCCOC1 ZINC000104313255 169081674 /nfs/dbraw/zinc/08/16/74/169081674.db2.gz RCDRPQHLHXIDFE-CQSZACIVSA-N 1 3 240.391 1.877 10 0 BDAEHO CCC[N@@H+](C)C[C@]1(CNC2CC2)CCCOC1 ZINC000104313255 169081675 /nfs/dbraw/zinc/08/16/75/169081675.db2.gz RCDRPQHLHXIDFE-CQSZACIVSA-N 1 3 240.391 1.877 10 0 BDAEHO CCCN(CCN(C)C)C[C@]1(CC)CC[NH2+]C1 ZINC000062912209 169157304 /nfs/dbraw/zinc/15/73/04/169157304.db2.gz GIOVJQFMGGDHGY-CQSZACIVSA-N 1 3 241.423 1.650 10 0 BDAEHO CCC[N@H+](CCN(C)C)[C@H](CN)C1CCCC1 ZINC000050272413 169158216 /nfs/dbraw/zinc/15/82/16/169158216.db2.gz RNRBMYYZFUUCAB-CQSZACIVSA-N 1 3 241.423 1.778 10 0 BDAEHO CCC[N@@H+](CCN(C)C)[C@H](CN)C1CCCC1 ZINC000050272413 169158218 /nfs/dbraw/zinc/15/82/18/169158218.db2.gz RNRBMYYZFUUCAB-CQSZACIVSA-N 1 3 241.423 1.778 10 0 BDAEHO CCCN1CCC(CN)([N@@H+]2CCC[C@H]2C)CC1 ZINC000037910390 169186183 /nfs/dbraw/zinc/18/61/83/169186183.db2.gz PTICMQLPBWNGDV-CYBMUJFWSA-N 1 3 239.407 1.674 10 0 BDAEHO CCCN1CCC(CN)([N@H+]2CCC[C@H]2C)CC1 ZINC000037910390 169186185 /nfs/dbraw/zinc/18/61/85/169186185.db2.gz PTICMQLPBWNGDV-CYBMUJFWSA-N 1 3 239.407 1.674 10 0 BDAEHO CCCN1CCN([C@@](C)(CC)C[NH3+])CC1 ZINC000019431743 169202676 /nfs/dbraw/zinc/20/26/76/169202676.db2.gz FIYQBCHIOXXFPE-LBPRGKRZSA-N 1 3 213.369 1.141 10 0 BDAEHO CCCN1CCN(C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070578419 169203682 /nfs/dbraw/zinc/20/36/82/169203682.db2.gz TZVUIZKMZRKXEH-KBPBESRZSA-N 1 3 239.407 1.532 10 0 BDAEHO CCC[NH2+][C@H](CC)CN1CCN(CC)[C@H](C)C1 ZINC000104135879 169288001 /nfs/dbraw/zinc/28/80/01/169288001.db2.gz MVHZJQQFHFZVBS-ZIAGYGMSSA-N 1 3 241.423 1.791 10 0 BDAEHO CCCO[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000042425461 169312856 /nfs/dbraw/zinc/31/28/56/169312856.db2.gz NMGFHZMPMSUUEQ-KGLIPLIRSA-N 1 3 240.391 1.877 10 0 BDAEHO CCC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000183870930 134356929 /nfs/dbraw/zinc/35/69/29/134356929.db2.gz ZFTHNAAVHMWNDL-PSEXLTFBSA-N 1 3 226.364 1.362 10 0 BDAEHO CCC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183870930 134356930 /nfs/dbraw/zinc/35/69/30/134356930.db2.gz ZFTHNAAVHMWNDL-PSEXLTFBSA-N 1 3 226.364 1.362 10 0 BDAEHO C[C@@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCCNC1 ZINC000572593270 384176572 /nfs/dbraw/zinc/17/65/72/384176572.db2.gz ANJMYUYUYFRWCP-CHWSQXEVSA-N 1 3 240.391 1.659 10 0 BDAEHO C[C@@H](NCC1(O)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000572593270 384176576 /nfs/dbraw/zinc/17/65/76/384176576.db2.gz ANJMYUYUYFRWCP-CHWSQXEVSA-N 1 3 240.391 1.659 10 0 BDAEHO Clc1nccc(CNCC2CC[NH2+]CC2)n1 ZINC000095070142 384334443 /nfs/dbraw/zinc/33/44/43/384334443.db2.gz KOIAWUHIYAQFOW-UHFFFAOYSA-N 1 3 240.738 1.219 10 0 BDAEHO C1CC[C@]2(CCCN(C3CC[NH2+]CC3)C2)OC1 ZINC000409424403 385331353 /nfs/dbraw/zinc/33/13/53/385331353.db2.gz BUALZMLIPDRIDM-CQSZACIVSA-N 1 3 238.375 1.774 10 0 BDAEHO C1CC[C@]2(CCC[N@@H+](C3CCNCC3)C2)OC1 ZINC000409424403 385331359 /nfs/dbraw/zinc/33/13/59/385331359.db2.gz BUALZMLIPDRIDM-CQSZACIVSA-N 1 3 238.375 1.774 10 0 BDAEHO C1CC[C@]2(CCC[N@H+](C3CCNCC3)C2)OC1 ZINC000409424403 385331363 /nfs/dbraw/zinc/33/13/63/385331363.db2.gz BUALZMLIPDRIDM-CQSZACIVSA-N 1 3 238.375 1.774 10 0 BDAEHO C[C@@H](C[NH2+]C1CCNCC1)CC(F)F ZINC000647800679 385810310 /nfs/dbraw/zinc/81/03/10/385810310.db2.gz IUCKIBXOGVAPME-MRVPVSSYSA-N 1 3 206.280 1.619 10 0 BDAEHO [NH3+][C@H]1CO[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000575471503 387108584 /nfs/dbraw/zinc/10/85/84/387108584.db2.gz AJNRCPPSJUFWFV-HUUCEWRRSA-N 1 3 246.354 1.769 10 0 BDAEHO COc1c(F)cccc1[C@@H](N)CCC[NH3+] ZINC000575440337 387123522 /nfs/dbraw/zinc/12/35/22/387123522.db2.gz OPWKSSPSEQVQSP-JTQLQIEISA-N 1 3 212.268 1.573 10 0 BDAEHO N[C@@H](CCCC[NH3+])c1cccc2c1OCO2 ZINC000575440159 387127640 /nfs/dbraw/zinc/12/76/40/387127640.db2.gz LGIRKJXMJPIZCL-JTQLQIEISA-N 1 3 222.288 1.544 10 0 BDAEHO CC(C)[C@H](C)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000536955024 387168126 /nfs/dbraw/zinc/16/81/26/387168126.db2.gz OLUWZHNGYGQWGX-RWMBFGLXSA-N 1 3 210.365 1.962 10 0 BDAEHO CSC[C@H](C)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400435428 387285130 /nfs/dbraw/zinc/28/51/30/387285130.db2.gz MPIYDFQOJMXQKF-GUBZILKMSA-N 1 3 202.367 1.326 10 0 BDAEHO C[C@]1(C(N)=[NH2+])CCN(Cc2ccccc2)C1 ZINC000575517983 387433265 /nfs/dbraw/zinc/43/32/65/387433265.db2.gz YZYJONZFHYDFBN-ZDUSSCGKSA-N 1 3 217.316 1.835 10 0 BDAEHO CCN1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422743031 387690137 /nfs/dbraw/zinc/69/01/37/387690137.db2.gz STODBIXONWTGDV-RBKKPWLPSA-N 1 3 237.391 1.343 10 0 BDAEHO C[C@H](C[NH2+]C1CCNCC1)Oc1ccccc1 ZINC000422975973 387826155 /nfs/dbraw/zinc/82/61/55/387826155.db2.gz CKJBHIOTENUFCG-GFCCVEGCSA-N 1 3 234.343 1.796 10 0 BDAEHO C[C@@H](NCCN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643459130 387832751 /nfs/dbraw/zinc/83/27/51/387832751.db2.gz BCVANIZKEUJYAX-KGLIPLIRSA-N 1 3 239.407 1.450 10 0 BDAEHO C(C[NH2+][C@@H]1CCNC1)C[C@H]1CCCCO1 ZINC000423035449 387851157 /nfs/dbraw/zinc/85/11/57/387851157.db2.gz JMQOXNJUHGTQBC-VXGBXAGGSA-N 1 3 212.337 1.287 10 0 BDAEHO C(C[C@@H]1CCCO1)[NH2+][C@H]1CCCNCC1 ZINC000168733183 387908049 /nfs/dbraw/zinc/90/80/49/387908049.db2.gz WJHHHPWJZFDHQP-RYUDHWBXSA-N 1 3 212.337 1.287 10 0 BDAEHO Cc1ccc(CCN[C@@H]2CCC[NH2+]CC2)nc1 ZINC000423164119 387946333 /nfs/dbraw/zinc/94/63/33/387946333.db2.gz NXZDYRYOYAJQFE-CYBMUJFWSA-N 1 3 233.359 1.664 10 0 BDAEHO COc1ccccc1CCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400486749 387976969 /nfs/dbraw/zinc/97/69/69/387976969.db2.gz XSLQUXZMQBIBIN-GXTWGEPZSA-N 1 3 248.370 1.825 10 0 BDAEHO C[C@H](N[C@H](CO)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400324015 388115819 /nfs/dbraw/zinc/11/58/19/388115819.db2.gz BYSYJVHZTCDUGD-WCFLWFBJSA-N 1 3 226.364 1.125 10 0 BDAEHO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN ZINC000393835770 388443669 /nfs/dbraw/zinc/44/36/69/388443669.db2.gz ODTQRYQRTOAUTJ-AXFHLTTASA-N 1 3 228.405 1.988 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000393835770 388443672 /nfs/dbraw/zinc/44/36/72/388443672.db2.gz ODTQRYQRTOAUTJ-AXFHLTTASA-N 1 3 228.405 1.988 10 0 BDAEHO FC1(F)CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000335025362 388446901 /nfs/dbraw/zinc/44/69/01/388446901.db2.gz JIHPGARPRBAOTG-SECBINFHSA-N 1 3 204.264 1.516 10 0 BDAEHO C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]CC2)CS1 ZINC000307367269 388422931 /nfs/dbraw/zinc/42/29/31/388422931.db2.gz MTAAWOVLSLMSNZ-OUAUKWLOSA-N 1 3 214.378 1.612 10 0 BDAEHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNCC2)CS1 ZINC000307367269 388422933 /nfs/dbraw/zinc/42/29/33/388422933.db2.gz MTAAWOVLSLMSNZ-OUAUKWLOSA-N 1 3 214.378 1.612 10 0 BDAEHO COC[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400415967 388426073 /nfs/dbraw/zinc/42/60/73/388426073.db2.gz VGEKJLCALVIKNQ-WOPDTQHZSA-N 1 3 214.353 1.245 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CCNCC1 ZINC000530224974 388634114 /nfs/dbraw/zinc/63/41/14/388634114.db2.gz NLWALHJBXXIWFU-DTHBNOIPSA-N 1 3 212.337 1.140 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC1CC[NH2+]CC1 ZINC000530224974 388634115 /nfs/dbraw/zinc/63/41/15/388634115.db2.gz NLWALHJBXXIWFU-DTHBNOIPSA-N 1 3 212.337 1.140 10 0 BDAEHO [NH3+][C@H]1C[C@@H](CN2CCC=C(Cl)C2)C1 ZINC000575456797 388789189 /nfs/dbraw/zinc/78/91/89/388789189.db2.gz RXTCBECWSGYKBI-WAAGHKOSSA-N 1 3 200.713 1.552 10 0 BDAEHO C[C@H]1CN(CC2CSC2)CC[C@H]1[NH3+] ZINC000575488497 388880231 /nfs/dbraw/zinc/88/02/31/388880231.db2.gz SMDQROCNKRCAIN-WCBMZHEXSA-N 1 3 200.351 1.019 10 0 BDAEHO CNCc1cccc(N2CCC([NH+](C)C)CC2)n1 ZINC000051444740 132361360 /nfs/dbraw/zinc/36/13/60/132361360.db2.gz DWDZMUKYDUVHBM-UHFFFAOYSA-N 1 3 248.374 1.331 10 0 BDAEHO Cc1ccc2c(c1)nccc2N1CC[NH2+]CC1 ZINC000068136412 132390071 /nfs/dbraw/zinc/39/00/71/132390071.db2.gz UQNPOPHMCCSXIA-UHFFFAOYSA-N 1 3 227.311 1.953 10 0 BDAEHO C[C@H](O)CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251155628 135064861 /nfs/dbraw/zinc/06/48/61/135064861.db2.gz BJJMVYFDYBIFCV-WUHRBBMRSA-N 1 3 226.364 1.268 10 0 BDAEHO N[C@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261527271 135150762 /nfs/dbraw/zinc/15/07/62/135150762.db2.gz IYQVIYLVIGCNFX-UWVGGRQHSA-N 1 3 218.291 1.845 10 0 BDAEHO N[C@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261527271 135150763 /nfs/dbraw/zinc/15/07/63/135150763.db2.gz IYQVIYLVIGCNFX-UWVGGRQHSA-N 1 3 218.291 1.845 10 0 BDAEHO C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)[C@H](C)N ZINC000261582403 135223097 /nfs/dbraw/zinc/22/30/97/135223097.db2.gz RDQUMQPTINBFQJ-YIZRAAEISA-N 1 3 248.330 1.243 10 0 BDAEHO CC1(C)C[N@H+](CC[C@H]2CCOC2)CC[C@@H]1N ZINC000261997997 135270592 /nfs/dbraw/zinc/27/05/92/135270592.db2.gz SZZWDMBPLYOOSB-RYUDHWBXSA-N 1 3 226.364 1.472 10 0 BDAEHO CC1(C)C[N@@H+](CC[C@H]2CCOC2)CC[C@@H]1N ZINC000261997997 135270593 /nfs/dbraw/zinc/27/05/93/135270593.db2.gz SZZWDMBPLYOOSB-RYUDHWBXSA-N 1 3 226.364 1.472 10 0 BDAEHO CC1(C)CN(CC[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261997997 135270595 /nfs/dbraw/zinc/27/05/95/135270595.db2.gz SZZWDMBPLYOOSB-RYUDHWBXSA-N 1 3 226.364 1.472 10 0 BDAEHO CC1(C)CCC(CNC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263150628 135335594 /nfs/dbraw/zinc/33/55/94/135335594.db2.gz DASDEVHILWRTJM-CHWSQXEVSA-N 1 3 240.391 1.373 10 0 BDAEHO CC1(C)CCC(C[NH2+]C[C@@H]2CNC[C@H]2O)CC1 ZINC000263150628 135335596 /nfs/dbraw/zinc/33/55/96/135335596.db2.gz DASDEVHILWRTJM-CHWSQXEVSA-N 1 3 240.391 1.373 10 0 BDAEHO CCC(CC)(CC)CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263214476 135340450 /nfs/dbraw/zinc/34/04/50/135340450.db2.gz KSDZZAWZWFKCBD-NEPJUHHUSA-N 1 3 228.380 1.373 10 0 BDAEHO CCC(CC)(CC)C[NH2+]C[C@H]1CNC[C@@H]1O ZINC000263214476 135340451 /nfs/dbraw/zinc/34/04/51/135340451.db2.gz KSDZZAWZWFKCBD-NEPJUHHUSA-N 1 3 228.380 1.373 10 0 BDAEHO C[C@H](CC1CCCC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000263251019 135342380 /nfs/dbraw/zinc/34/23/80/135342380.db2.gz PXMLRUYCYAEAMG-RTXFEEFZSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](CC1CCCC1)[NH2+]C[C@H]1CNC[C@@H]1O ZINC000263251019 135342381 /nfs/dbraw/zinc/34/23/81/135342381.db2.gz PXMLRUYCYAEAMG-RTXFEEFZSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@](N)(C[N@@H+]1CCCSCC1)C1CC1 ZINC000042444962 398016001 /nfs/dbraw/zinc/01/60/01/398016001.db2.gz LIOJEZIJWWTSGM-NSHDSACASA-N 1 3 214.378 1.553 10 0 BDAEHO C[C@](N)(C[N@H+]1CCCSCC1)C1CC1 ZINC000042444962 398016003 /nfs/dbraw/zinc/01/60/03/398016003.db2.gz LIOJEZIJWWTSGM-NSHDSACASA-N 1 3 214.378 1.553 10 0 BDAEHO CC(C)C[NH2+]CC(C)(C)CN1CCC[C@@H]1CO ZINC000051254895 167002780 /nfs/dbraw/zinc/00/27/80/167002780.db2.gz PDAMWORFFSFFCC-CYBMUJFWSA-N 1 3 242.407 1.715 10 0 BDAEHO CC[NH+](CC)CCSC1=NCCN1 ZINC000004747669 169783369 /nfs/dbraw/zinc/78/33/69/169783369.db2.gz UDAYLABGJCKNED-UHFFFAOYSA-N 1 3 201.339 1.021 10 0 BDAEHO C1[C@H]2CC[C@@H]([NH2+][C@@H]3CCCNCC3)C[C@@H]12 ZINC000403687553 411353877 /nfs/dbraw/zinc/35/38/77/411353877.db2.gz RKNQTGXIMDTHBS-FDYHWXHSSA-N 1 3 208.349 1.907 10 0 BDAEHO CC[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC000052170977 170108913 /nfs/dbraw/zinc/10/89/13/170108913.db2.gz QPOQKCNLQUGKGO-UHFFFAOYSA-N 1 3 226.364 1.487 10 0 BDAEHO CC[NH2+]CC1(CN2CC[C@H](C)C2)CCOCC1 ZINC000052182180 170111085 /nfs/dbraw/zinc/11/10/85/170111085.db2.gz DZOFWJNSHFLJRV-ZDUSSCGKSA-N 1 3 240.391 1.735 10 0 BDAEHO CCNCC1(C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC000052182180 170111086 /nfs/dbraw/zinc/11/10/86/170111086.db2.gz DZOFWJNSHFLJRV-ZDUSSCGKSA-N 1 3 240.391 1.735 10 0 BDAEHO CCNCC1(C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC000052182180 170111088 /nfs/dbraw/zinc/11/10/88/170111088.db2.gz DZOFWJNSHFLJRV-ZDUSSCGKSA-N 1 3 240.391 1.735 10 0 BDAEHO CC[NH2+]C[C@@]1(CN2CCC(C)CC2)CCOC1 ZINC000051207920 170121130 /nfs/dbraw/zinc/12/11/30/170121130.db2.gz HMFXKFWCVPOFFW-CQSZACIVSA-N 1 3 240.391 1.735 10 0 BDAEHO CCNC[C@@]1(C[NH+]2CCC(C)CC2)CCOC1 ZINC000051207920 170121132 /nfs/dbraw/zinc/12/11/32/170121132.db2.gz HMFXKFWCVPOFFW-CQSZACIVSA-N 1 3 240.391 1.735 10 0 BDAEHO CC[NH2+]C[C@H](C)N1CCN(C2CCCC2)CC1 ZINC000052573448 170121795 /nfs/dbraw/zinc/12/17/95/170121795.db2.gz VDTIYLDIWBEZBO-ZDUSSCGKSA-N 1 3 239.407 1.545 10 0 BDAEHO CC[NH2+]Cc1ccc(N2CCCN(C)CC2)nc1 ZINC000051437392 170127392 /nfs/dbraw/zinc/12/73/92/170127392.db2.gz CYESEJMDCPDDQK-UHFFFAOYSA-N 1 3 248.374 1.333 10 0 BDAEHO CC[NH2+]Cc1sc(CCN(C)C)nc1C ZINC000062214416 170132458 /nfs/dbraw/zinc/13/24/58/170132458.db2.gz XABDVZSOSQXVIV-UHFFFAOYSA-N 1 3 227.377 1.665 10 0 BDAEHO CC[NH2+]Cc1coc(CN(C)CCCOC)c1 ZINC000062036152 170130621 /nfs/dbraw/zinc/13/06/21/170130621.db2.gz KAGLKRYAMJKALQ-UHFFFAOYSA-N 1 3 240.347 1.857 10 0 BDAEHO CC[NH2+][C@@H](C)CN1CCN([C@@H](C)CC)CC1 ZINC000055065623 170139553 /nfs/dbraw/zinc/13/95/53/170139553.db2.gz NOGSRFOEFYNALR-STQMWFEESA-N 1 3 227.396 1.401 10 0 BDAEHO CC[NH2+][C@@H]1CCN(CC2CCOCC2)[C@H](C)C1 ZINC000104193756 170151451 /nfs/dbraw/zinc/15/14/51/170151451.db2.gz ZQSCLSIUWGHPNX-TZMCWYRMSA-N 1 3 240.391 1.875 10 0 BDAEHO CC[NH2+][C@H]1CCC[C@H]1CN1CCCN(C)CC1 ZINC000053863881 170166595 /nfs/dbraw/zinc/16/65/95/170166595.db2.gz LZTIQRWRVUESEI-KBPBESRZSA-N 1 3 239.407 1.402 10 0 BDAEHO CC[C@@H]1CCN([C@@H](C)COC)CCC[NH2+]1 ZINC000049663774 171013759 /nfs/dbraw/zinc/01/37/59/171013759.db2.gz HBLOHZHOWQJVMT-NWDGAFQWSA-N 1 3 214.353 1.485 10 0 BDAEHO CC[C@H](C)NC(=O)CCNCC[NH+](CC)CC ZINC000038014774 171322434 /nfs/dbraw/zinc/32/24/34/171322434.db2.gz UPRGRJDEPJCSBW-LBPRGKRZSA-N 1 3 243.395 1.223 10 0 BDAEHO CC[C@H](C)[NH2+]CC(=O)N[C@H](CN(C)C)C(C)C ZINC000049221265 171338899 /nfs/dbraw/zinc/33/88/99/171338899.db2.gz PGYOEVQFZSVYIG-NWDGAFQWSA-N 1 3 243.395 1.077 10 0 BDAEHO C[C@H](NCCc1ccoc1)[C@H]1CCC[NH2+]C1 ZINC000665263505 412207600 /nfs/dbraw/zinc/20/76/00/412207600.db2.gz NPEWZSQROQEMNO-AAEUAGOBSA-N 1 3 222.332 1.800 10 0 BDAEHO C[NH2+]C[C@@H](C)Nc1ccnc2ccccc21 ZINC000663281570 412409220 /nfs/dbraw/zinc/40/92/20/412409220.db2.gz XWKLJZSIUOPAEG-SNVBAGLBSA-N 1 3 215.300 1.677 10 0 BDAEHO C[N@@H+]1CCC[C@@H]1CCOc1ccnc(C(=N)N)c1 ZINC000061814641 173028252 /nfs/dbraw/zinc/02/82/52/173028252.db2.gz FGWXGMSRHJLONC-SNVBAGLBSA-N 1 3 248.330 1.229 10 0 BDAEHO C[N@H+]1CCC[C@@H]1CCOc1ccnc(C(=N)N)c1 ZINC000061814641 173028254 /nfs/dbraw/zinc/02/82/54/173028254.db2.gz FGWXGMSRHJLONC-SNVBAGLBSA-N 1 3 248.330 1.229 10 0 BDAEHO CN1CCC[C@H](Nc2cc[nH+]cc2N)C1 ZINC000040715740 173045585 /nfs/dbraw/zinc/04/55/85/173045585.db2.gz RXEQYLNITPEZMN-VIFPVBQESA-N 1 3 206.293 1.170 10 0 BDAEHO COC1CC[NH+]([C@H]2CCC[C@@H]2CN)CC1 ZINC000037265720 174031736 /nfs/dbraw/zinc/03/17/36/174031736.db2.gz XFJGOIUKVFXBLQ-PWSUYJOCSA-N 1 3 212.337 1.225 10 0 BDAEHO COC1CCN([C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037265720 174031738 /nfs/dbraw/zinc/03/17/38/174031738.db2.gz XFJGOIUKVFXBLQ-PWSUYJOCSA-N 1 3 212.337 1.225 10 0 BDAEHO COCCC[NH+]1C[C@@H](C)CNC[C@H](C)C1 ZINC000049665815 174235004 /nfs/dbraw/zinc/23/50/04/174235004.db2.gz PZSVFGWNMVFQHL-RYUDHWBXSA-N 1 3 214.353 1.200 10 0 BDAEHO COCCCN1C[C@@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665815 174235005 /nfs/dbraw/zinc/23/50/05/174235005.db2.gz PZSVFGWNMVFQHL-RYUDHWBXSA-N 1 3 214.353 1.200 10 0 BDAEHO COc1cc([C@@H](C)[NH3+])ccc1OCCN(C)C ZINC000022222650 175013515 /nfs/dbraw/zinc/01/35/15/175013515.db2.gz GYKXSJRNJVCHTA-SNVBAGLBSA-N 1 3 238.331 1.655 10 0 BDAEHO COc1ccc(CC[N@H+](C)C[C@H](C)CN)cc1 ZINC000049828326 175089682 /nfs/dbraw/zinc/08/96/82/175089682.db2.gz BYTYJGKLLPBJSV-GFCCVEGCSA-N 1 3 236.359 1.764 10 0 BDAEHO COc1ccc(CC[N@@H+](C)C[C@H](C)CN)cc1 ZINC000049828326 175089684 /nfs/dbraw/zinc/08/96/84/175089684.db2.gz BYTYJGKLLPBJSV-GFCCVEGCSA-N 1 3 236.359 1.764 10 0 BDAEHO COc1cccc(C[C@@H](CN)C[NH+]2CCCC2)c1 ZINC000011800177 175270793 /nfs/dbraw/zinc/27/07/93/175270793.db2.gz JXJQBAJAEURMJY-AWEZNQCLSA-N 1 3 248.370 1.908 10 0 BDAEHO COc1cccc(C[C@@H](C[NH3+])CN2CCCC2)c1 ZINC000011800177 175270794 /nfs/dbraw/zinc/27/07/94/175270794.db2.gz JXJQBAJAEURMJY-AWEZNQCLSA-N 1 3 248.370 1.908 10 0 BDAEHO COc1ccccc1C[C@@H](C[NH3+])CN(C)C ZINC000011799970 175332484 /nfs/dbraw/zinc/33/24/84/175332484.db2.gz LKOWEPPRGNLLDT-NSHDSACASA-N 1 3 222.332 1.374 10 0 BDAEHO C[C@@H]1CCC[N@H+](Cc2occc2CN)C1 ZINC000052381304 176103123 /nfs/dbraw/zinc/10/31/23/176103123.db2.gz AIGDRZOILPDMCD-SNVBAGLBSA-N 1 3 208.305 1.970 10 0 BDAEHO C[C@@H]1CCC[N@@H+](Cc2occc2CN)C1 ZINC000052381304 176103124 /nfs/dbraw/zinc/10/31/24/176103124.db2.gz AIGDRZOILPDMCD-SNVBAGLBSA-N 1 3 208.305 1.970 10 0 BDAEHO C[C@@H]1CCC[C@@H]([N@H+](C)CCNCCN(C)C)C1 ZINC000053426676 176120892 /nfs/dbraw/zinc/12/08/92/176120892.db2.gz MLRURICTDAQGJO-ZIAGYGMSSA-N 1 3 241.423 1.648 10 0 BDAEHO C[C@@H]1CCC[C@@H]([N@@H+](C)CCNCCN(C)C)C1 ZINC000053426676 176120893 /nfs/dbraw/zinc/12/08/93/176120893.db2.gz MLRURICTDAQGJO-ZIAGYGMSSA-N 1 3 241.423 1.648 10 0 BDAEHO C[C@@H]1CCC[C@H]([N@H+](C)CCNCCN(C)C)C1 ZINC000053426671 176140853 /nfs/dbraw/zinc/14/08/53/176140853.db2.gz MLRURICTDAQGJO-KGLIPLIRSA-N 1 3 241.423 1.648 10 0 BDAEHO C[C@@H]1CCC[C@H]([N@@H+](C)CCNCCN(C)C)C1 ZINC000053426671 176140854 /nfs/dbraw/zinc/14/08/54/176140854.db2.gz MLRURICTDAQGJO-KGLIPLIRSA-N 1 3 241.423 1.648 10 0 BDAEHO C[C@@H]1CC[C@@H](CN)[C@H]([N@@H+]2CCCN(C)CC2)C1 ZINC000037158691 176201721 /nfs/dbraw/zinc/20/17/21/176201721.db2.gz AAJVSSPNCRHFNT-HZSPNIEDSA-N 1 3 239.407 1.387 10 0 BDAEHO C[C@@H]1CC[C@@H](CN)[C@H]([N@H+]2CCCN(C)CC2)C1 ZINC000037158691 176201722 /nfs/dbraw/zinc/20/17/22/176201722.db2.gz AAJVSSPNCRHFNT-HZSPNIEDSA-N 1 3 239.407 1.387 10 0 BDAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CC1CCOCC1 ZINC000052173161 176202072 /nfs/dbraw/zinc/20/20/72/176202072.db2.gz FOCBECLADCKFDF-YPMHNXCESA-N 1 3 226.364 1.472 10 0 BDAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CC1CCOCC1 ZINC000052173161 176202074 /nfs/dbraw/zinc/20/20/74/176202074.db2.gz FOCBECLADCKFDF-YPMHNXCESA-N 1 3 226.364 1.472 10 0 BDAEHO C[C@H]1CCN(CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000044510699 177160379 /nfs/dbraw/zinc/16/03/79/177160379.db2.gz MQACKZGAGONALR-STQMWFEESA-N 1 3 226.364 1.629 10 0 BDAEHO C[C@H]1CC[N@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000044510699 177160380 /nfs/dbraw/zinc/16/03/80/177160380.db2.gz MQACKZGAGONALR-STQMWFEESA-N 1 3 226.364 1.629 10 0 BDAEHO C[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000044510699 177160381 /nfs/dbraw/zinc/16/03/81/177160381.db2.gz MQACKZGAGONALR-STQMWFEESA-N 1 3 226.364 1.629 10 0 BDAEHO C[C@H]1CCNCC[N@@H+]1CCc1cccs1 ZINC000071531837 177174145 /nfs/dbraw/zinc/17/41/45/177174145.db2.gz BJSJJFXZXCYXDS-NSHDSACASA-N 1 3 224.373 1.974 10 0 BDAEHO C[C@H]1CCNCC[N@H+]1CCc1cccs1 ZINC000071531837 177174146 /nfs/dbraw/zinc/17/41/46/177174146.db2.gz BJSJJFXZXCYXDS-NSHDSACASA-N 1 3 224.373 1.974 10 0 BDAEHO C[C@H]1CN(CC[NH2+]Cc2ccccc2)CCN1C ZINC000104135056 177253051 /nfs/dbraw/zinc/25/30/51/177253051.db2.gz KPDFZVYPHNXPJF-AWEZNQCLSA-N 1 3 247.386 1.412 10 0 BDAEHO C[C@H]1C[NH2+]C[C@H](C)CN(CCc2ccco2)C1 ZINC000049667389 177285409 /nfs/dbraw/zinc/28/54/09/177285409.db2.gz YXTFDZYKZZORGC-STQMWFEESA-N 1 3 236.359 2.000 10 0 BDAEHO C[C@@H]([C@@H]1CCCO1)N1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666231 177285488 /nfs/dbraw/zinc/28/54/88/177285488.db2.gz UMPBXFGHWKISGW-CRWXNKLISA-N 1 3 240.391 1.731 10 0 BDAEHO C[C@@H]([C@@H]1CCCO1)[N@H+]1C[C@H](C)CNC[C@H](C)C1 ZINC000049666231 177285491 /nfs/dbraw/zinc/28/54/91/177285491.db2.gz UMPBXFGHWKISGW-CRWXNKLISA-N 1 3 240.391 1.731 10 0 BDAEHO C[C@@H]([C@@H]1CCCO1)[N@@H+]1C[C@H](C)CNC[C@H](C)C1 ZINC000049666231 177285492 /nfs/dbraw/zinc/28/54/92/177285492.db2.gz UMPBXFGHWKISGW-CRWXNKLISA-N 1 3 240.391 1.731 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@H](C)CN(CCc2ccncc2)C1 ZINC000049666820 177286147 /nfs/dbraw/zinc/28/61/47/177286147.db2.gz NMYNZILLPNQADY-OKILXGFUSA-N 1 3 247.386 1.802 10 0 BDAEHO C[C@H]1CSC(NCC2CC[NH+](C)CC2)=N1 ZINC000044526498 177302849 /nfs/dbraw/zinc/30/28/49/177302849.db2.gz WEAAHQKMCAKQBU-VIFPVBQESA-N 1 3 227.377 1.409 10 0 BDAEHO C[C@H](NC[C@]1(C)CCCO1)[C@@H]1CC[NH2+]C1 ZINC000400416657 225224875 /nfs/dbraw/zinc/22/48/75/225224875.db2.gz VOSKJJJCXOWMPU-TUAOUCFPSA-N 1 3 212.337 1.143 10 0 BDAEHO C[C@@H](NCCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400444307 226343739 /nfs/dbraw/zinc/34/37/39/226343739.db2.gz PEMIAPLNVVDKOQ-TZMCWYRMSA-N 1 3 218.344 1.817 10 0 BDAEHO C[C@H](NCC[C@H]1CCCCO1)[C@H]1CC[NH2+]C1 ZINC000400569844 226346764 /nfs/dbraw/zinc/34/67/64/226346764.db2.gz NJXUVEUAZMVXFS-RWMBFGLXSA-N 1 3 226.364 1.533 10 0 BDAEHO CO[C@@H]([C@H](C)N[C@@H](C)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000400757447 226351454 /nfs/dbraw/zinc/35/14/54/226351454.db2.gz XIOIEPAHUXNBSE-DJIHRAIXSA-N 1 3 226.364 1.388 10 0 BDAEHO CCCCOCCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400402364 528611078 /nfs/dbraw/zinc/61/10/78/528611078.db2.gz QPRSCIAOSCXQGS-NEPJUHHUSA-N 1 3 214.353 1.391 10 0 BDAEHO C[C@H](NC[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000560970659 322993932 /nfs/dbraw/zinc/99/39/32/322993932.db2.gz KNPNAOKOCIKWMU-SRVKXCTJSA-N 1 3 212.337 1.143 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403765772 323013040 /nfs/dbraw/zinc/01/30/40/323013040.db2.gz SEFZSYZVOBHAET-UTUOFQBUSA-N 1 3 208.349 1.764 10 0 BDAEHO C[C@@H](NCCc1ccc(O)cc1)[C@H]1CC[NH2+]C1 ZINC000400779914 324168180 /nfs/dbraw/zinc/16/81/80/324168180.db2.gz PBLASQLRQKKGMC-YPMHNXCESA-N 1 3 234.343 1.522 10 0 BDAEHO C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)C1CNC1 ZINC000566555623 326063284 /nfs/dbraw/zinc/06/32/84/326063284.db2.gz BZCMYRVYNPCPMF-MFKMUULPSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@@H](N[C@@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000566555623 326063285 /nfs/dbraw/zinc/06/32/85/326063285.db2.gz BZCMYRVYNPCPMF-MFKMUULPSA-N 1 3 226.364 1.125 10 0 BDAEHO Cc1cccnc1CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566732279 326077520 /nfs/dbraw/zinc/07/75/20/326077520.db2.gz VNQYILXNIAQYGF-KGLIPLIRSA-N 1 3 247.386 1.910 10 0 BDAEHO CC(C)[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000567639903 326236947 /nfs/dbraw/zinc/23/69/47/326236947.db2.gz CVVCWVIMIKXAHU-XQQFMLRXSA-N 1 3 228.380 1.229 10 0 BDAEHO C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)[C@@H]1CCCNC1 ZINC000567647069 326238179 /nfs/dbraw/zinc/23/81/79/326238179.db2.gz QVCQXMOIBLHKML-YNEHKIRRSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@H](N[C@@H](CO)CC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000567647069 326238180 /nfs/dbraw/zinc/23/81/80/326238180.db2.gz QVCQXMOIBLHKML-YNEHKIRRSA-N 1 3 242.407 1.761 10 0 BDAEHO Cc1nc([C@@H]2CCCN(C3CC[NH2+]CC3)C2)n[nH]1 ZINC000584615491 490176508 /nfs/dbraw/zinc/17/65/08/490176508.db2.gz XEWSXZGOOYPSSU-LLVKDONJSA-N 1 3 249.362 1.045 10 0 BDAEHO Cc1n[nH]c([C@@H]2CCCN(C3CC[NH2+]CC3)C2)n1 ZINC000584615491 490176511 /nfs/dbraw/zinc/17/65/11/490176511.db2.gz XEWSXZGOOYPSSU-LLVKDONJSA-N 1 3 249.362 1.045 10 0 BDAEHO Cc1nnc([C@@H]2CCCN(C3CC[NH2+]CC3)C2)[nH]1 ZINC000584615491 490176515 /nfs/dbraw/zinc/17/65/15/490176515.db2.gz XEWSXZGOOYPSSU-LLVKDONJSA-N 1 3 249.362 1.045 10 0 BDAEHO COCC[C@H](C)N1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757125556 582500410 /nfs/dbraw/zinc/50/04/10/582500410.db2.gz FCECGHDMALYVJJ-HZSPNIEDSA-N 1 3 240.391 1.875 10 0 BDAEHO COCC[C@H](C)[N@@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757125556 582500412 /nfs/dbraw/zinc/50/04/12/582500412.db2.gz FCECGHDMALYVJJ-HZSPNIEDSA-N 1 3 240.391 1.875 10 0 BDAEHO COCC[C@H](C)[N@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757125556 582500415 /nfs/dbraw/zinc/50/04/15/582500415.db2.gz FCECGHDMALYVJJ-HZSPNIEDSA-N 1 3 240.391 1.875 10 0 BDAEHO COCCC[N@@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757130727 582505014 /nfs/dbraw/zinc/50/50/14/582505014.db2.gz NYPCJUOSHWJLRP-OLZOCXBDSA-N 1 3 226.364 1.629 10 0 BDAEHO COCCC[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757130727 582505017 /nfs/dbraw/zinc/50/50/17/582505017.db2.gz NYPCJUOSHWJLRP-OLZOCXBDSA-N 1 3 226.364 1.629 10 0 BDAEHO C[C@@H]1C[C@H](C)C[C@@]2(C1)[NH2+]CCC1(CNC1)O2 ZINC000757150090 582533580 /nfs/dbraw/zinc/53/35/80/582533580.db2.gz PXTWPGUTRXITNH-PJXYFTJBSA-N 1 3 224.348 1.491 10 0 BDAEHO C[C@@H]1C[C@@H](C)CC2(C1)[NH2+]CCC1(CNC1)O2 ZINC000757150080 582533924 /nfs/dbraw/zinc/53/39/24/582533924.db2.gz PXTWPGUTRXITNH-GHMZBOCLSA-N 1 3 224.348 1.491 10 0 BDAEHO C[C@H](NCCN1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400390050 533856774 /nfs/dbraw/zinc/85/67/74/533856774.db2.gz ZLBPLWQDNQZXDC-UONOGXRCSA-N 1 3 239.407 1.306 10 0 BDAEHO C[C@H](NC[C@@H]1Cc2ccccc2O1)[C@H]1CC[NH2+]C1 ZINC000400552081 533887627 /nfs/dbraw/zinc/88/76/27/533887627.db2.gz YAPDZRHORVIBKC-UBHSHLNASA-N 1 3 246.354 1.578 10 0 BDAEHO C[C@H](NC[C@@]1(C)CCCS1)[C@H]1CC[NH2+]C1 ZINC000400339380 533892937 /nfs/dbraw/zinc/89/29/37/533892937.db2.gz GIGYJWNHSPQSET-SDDRHHMPSA-N 1 3 228.405 1.860 10 0 BDAEHO CC(C)COCCCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400722222 528094555 /nfs/dbraw/zinc/09/45/55/528094555.db2.gz OUPTWPGEWCXLBH-OLZOCXBDSA-N 1 3 228.380 1.637 10 0 BDAEHO CC(C)C[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)N(C)C ZINC000400350008 528531573 /nfs/dbraw/zinc/53/15/73/528531573.db2.gz JRFYCFGKHUAAIM-BFHYXJOUSA-N 1 3 241.423 1.550 10 0 BDAEHO CCOC[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400732498 528995904 /nfs/dbraw/zinc/99/59/04/528995904.db2.gz QYNFDZUMEHJDPP-UPJWGTAASA-N 1 3 228.380 1.635 10 0 BDAEHO CC[C@H](C)[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)OC ZINC000400729216 529248644 /nfs/dbraw/zinc/24/86/44/529248644.db2.gz QEMCKECTDRAIEK-CYDGBPFRSA-N 1 3 228.380 1.635 10 0 BDAEHO CC(C)C[C@@H]([NH3+])CN1CCN2CCCC[C@H]2C1 ZINC000251410532 535280683 /nfs/dbraw/zinc/28/06/83/535280683.db2.gz NSRZJTPUUCNZHM-KGLIPLIRSA-N 1 3 239.407 1.530 10 0 BDAEHO CO[C@H](C)[C@H](C)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000252730974 536878180 /nfs/dbraw/zinc/87/81/80/536878180.db2.gz NTHXGKWLTCSAOI-WHOHXGKFSA-N 1 3 214.353 1.482 10 0 BDAEHO COC[C@H](C)C[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757128259 582503444 /nfs/dbraw/zinc/50/34/44/582503444.db2.gz JWMQKBGFOKQSFE-MCIONIFRSA-N 1 3 240.391 1.875 10 0 BDAEHO COC[C@H](C)C[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757128259 582503445 /nfs/dbraw/zinc/50/34/45/582503445.db2.gz JWMQKBGFOKQSFE-MCIONIFRSA-N 1 3 240.391 1.875 10 0 BDAEHO C[C@@H]1CC[C@]2(CCCN2CCN(C)C)C[NH2+]1 ZINC000757127987 582503520 /nfs/dbraw/zinc/50/35/20/582503520.db2.gz IMWLYRMQYQRHDL-CHWSQXEVSA-N 1 3 225.380 1.155 10 0 BDAEHO COCCC[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757130873 582504923 /nfs/dbraw/zinc/50/49/23/582504923.db2.gz OKFGBVQXBQCOFL-QWHCGFSZSA-N 1 3 226.364 1.487 10 0 BDAEHO COCCC[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757130873 582504924 /nfs/dbraw/zinc/50/49/24/582504924.db2.gz OKFGBVQXBQCOFL-QWHCGFSZSA-N 1 3 226.364 1.487 10 0 BDAEHO CC(C)[C@H]1[NH2+]C2(CCNCC2)OCC12CCC2 ZINC000757142732 582522736 /nfs/dbraw/zinc/52/27/36/582522736.db2.gz LTFJQXFNQHKGIR-GFCCVEGCSA-N 1 3 238.375 1.881 10 0 BDAEHO CC[C@@]1(C)CCOC2(CCN(C)CC2)[NH2+]1 ZINC000757142539 582523123 /nfs/dbraw/zinc/52/31/23/582523123.db2.gz DCVZMMCAXBJQOQ-NSHDSACASA-N 1 3 212.337 1.587 10 0 BDAEHO CCN1CCC2(CC1)[NH2+][C@H](C)C[C@@H](C)O2 ZINC000757144998 582526238 /nfs/dbraw/zinc/52/62/38/582526238.db2.gz HOTMWNWISZHZAK-GHMZBOCLSA-N 1 3 212.337 1.585 10 0 BDAEHO CCN1CCC2(CC1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757151267 582535443 /nfs/dbraw/zinc/53/54/43/582535443.db2.gz QFUWGHHHXQBJDE-GFCCVEGCSA-N 1 3 224.348 1.587 10 0 BDAEHO CC(C)[C@H]1[NH2+]C2(CCNCC2)OCC1(C)C ZINC000757152679 582537576 /nfs/dbraw/zinc/53/75/76/582537576.db2.gz TZFIIFARCDWCDW-LLVKDONJSA-N 1 3 226.364 1.737 10 0 BDAEHO COC(=O)[C@@H]1CCN[C@H](c2ccc(C[NH3+])cc2)C1 ZINC000757210819 586438810 /nfs/dbraw/zinc/43/88/10/586438810.db2.gz HKAJSVRONFAZJX-OLZOCXBDSA-N 1 3 248.326 1.359 10 0 BDAEHO CC(=O)c1cccc([C@H]2CNC[C@H](C[NH3+])C2)c1 ZINC000757212333 586439456 /nfs/dbraw/zinc/43/94/56/586439456.db2.gz IIKGPQHBOVZNIF-SMDDNHRTSA-N 1 3 232.327 1.541 10 0 BDAEHO CC(=O)c1cccc([C@H]2C[NH2+]C[C@H](CN)C2)c1 ZINC000757212333 586439458 /nfs/dbraw/zinc/43/94/58/586439458.db2.gz IIKGPQHBOVZNIF-SMDDNHRTSA-N 1 3 232.327 1.541 10 0 BDAEHO [NH3+]C[C@@H]1CC[C@@H](c2cccc3cc[nH]c32)CN1 ZINC000757212624 586439480 /nfs/dbraw/zinc/43/94/80/586439480.db2.gz JOEYGJKCFQYAMG-NEPJUHHUSA-N 1 3 229.327 1.962 10 0 BDAEHO OCc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)ccn1 ZINC000094440225 635347949 /nfs/dbraw/zinc/34/79/49/635347949.db2.gz SFYKAQVUWIQATA-CQSZACIVSA-N 1 3 247.342 1.248 10 0 BDAEHO OCc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)ccn1 ZINC000094440225 635347952 /nfs/dbraw/zinc/34/79/52/635347952.db2.gz SFYKAQVUWIQATA-CQSZACIVSA-N 1 3 247.342 1.248 10 0 BDAEHO N[C@@H]1CCCCC[N@H+](C[C@H]2CCCO2)C1 ZINC000708996338 712205344 /nfs/dbraw/zinc/20/53/44/712205344.db2.gz QLNNWDZLLODWRH-VXGBXAGGSA-N 1 3 212.337 1.369 10 0 BDAEHO N[C@@H]1CCCCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000708996338 712205345 /nfs/dbraw/zinc/20/53/45/712205345.db2.gz QLNNWDZLLODWRH-VXGBXAGGSA-N 1 3 212.337 1.369 10 0 BDAEHO CCC1([NH3+])CCN([C@H](C)[C@@H](C)OC)CC1 ZINC000714754863 712497580 /nfs/dbraw/zinc/49/75/80/712497580.db2.gz YQKRXZIPCMBCOX-GHMZBOCLSA-N 1 3 214.353 1.613 10 0 BDAEHO [NH3+][C@@H]1CC[C@H]2CN(CCc3ccns3)C[C@H]12 ZINC000719833998 712823802 /nfs/dbraw/zinc/82/38/02/712823802.db2.gz UPPTZLDTZFQZHU-ZMLRMANQSA-N 1 3 237.372 1.355 10 0 BDAEHO C[C@@H]1CN(Cc2ccc3c[nH]nc3c2)C[C@@H]1C[NH3+] ZINC000708859010 712201061 /nfs/dbraw/zinc/20/10/61/712201061.db2.gz SVTAQJMCUAKMBO-MFKMUULPSA-N 1 3 244.342 1.590 10 0 BDAEHO CCC1([NH3+])CCN([C@@H](C)[C@@H]2CCCO2)CC1 ZINC000714754880 712497790 /nfs/dbraw/zinc/49/77/90/712497790.db2.gz YWYVVNNOTHXWLI-RYUDHWBXSA-N 1 3 226.364 1.757 10 0 BDAEHO C[C@H](NC[C@@H]1CC(C)(C)CO1)[C@H]1CC[NH2+]C1 ZINC000717613165 712662319 /nfs/dbraw/zinc/66/23/19/712662319.db2.gz ICADVLDTGLESLC-SRVKXCTJSA-N 1 3 226.364 1.389 10 0 BDAEHO Cc1cc(CN2CC[C@H](C[NH3+])C2)cc(C)c1O ZINC000050245165 178003233 /nfs/dbraw/zinc/00/32/33/178003233.db2.gz PNZUWZZVIDITOB-GFCCVEGCSA-N 1 3 234.343 1.790 10 0 BDAEHO C[C@@H]([NH3+])c1cccc(OCCN(C)C)c1 ZINC000022169195 538936482 /nfs/dbraw/zinc/93/64/82/538936482.db2.gz DESQUQJVIHLQJU-SNVBAGLBSA-N 1 3 208.305 1.647 10 0 BDAEHO C[C@H]1OCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000378756793 346824934 /nfs/dbraw/zinc/82/49/34/346824934.db2.gz YMSOLVLADSQKEY-YVECIDJPSA-N 1 3 224.348 1.380 10 0 BDAEHO C[C@H]1OCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378756793 346824936 /nfs/dbraw/zinc/82/49/36/346824936.db2.gz YMSOLVLADSQKEY-YVECIDJPSA-N 1 3 224.348 1.380 10 0 BDAEHO CCC(CC)[N@H+](CCO)C[C@H]1CCC[C@@H]1NC ZINC000053877024 168374311 /nfs/dbraw/zinc/37/43/11/168374311.db2.gz JGRMSXBVLCDJCO-OCCSQVGLSA-N 1 3 242.407 1.857 10 0 BDAEHO CCC(CC)[N@@H+](CCO)C[C@H]1CCC[C@@H]1NC ZINC000053877024 168374313 /nfs/dbraw/zinc/37/43/13/168374313.db2.gz JGRMSXBVLCDJCO-OCCSQVGLSA-N 1 3 242.407 1.857 10 0 BDAEHO CC[C@H](COC)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000309041044 529392416 /nfs/dbraw/zinc/39/24/16/529392416.db2.gz JYJBJWVKSJRIIF-IJLUTSLNSA-N 1 3 214.353 1.328 10 0 BDAEHO CC[C@H](COC)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000309041044 529392417 /nfs/dbraw/zinc/39/24/17/529392417.db2.gz JYJBJWVKSJRIIF-IJLUTSLNSA-N 1 3 214.353 1.328 10 0 BDAEHO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCNC1 ZINC000580314433 346896901 /nfs/dbraw/zinc/89/69/01/346896901.db2.gz SCJNZEZNCQFKRV-OFTGVCEQSA-N 1 3 208.349 1.763 10 0 BDAEHO C[C@H]([NH2+]C[C@@H]1CCCNC1)C1CCOCC1 ZINC000235532614 343048018 /nfs/dbraw/zinc/04/80/18/343048018.db2.gz DJZAFYHVWXYSLD-NWDGAFQWSA-N 1 3 226.364 1.391 10 0 BDAEHO COC(C)(C)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000159220933 349829017 /nfs/dbraw/zinc/82/90/17/349829017.db2.gz SEQKNTNBLZLMAD-ZJUUUORDSA-N 1 3 200.326 1.223 10 0 BDAEHO CC(C)C[C@H](N)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000049220677 187270476 /nfs/dbraw/zinc/27/04/76/187270476.db2.gz XLXBEPJPJLMQRN-RYUDHWBXSA-N 1 3 243.395 1.062 10 0 BDAEHO CN1CCC[C@@H]([N@H+](C)[C@@H](CN)C2CCCC2)C1 ZINC000053206121 187271205 /nfs/dbraw/zinc/27/12/05/187271205.db2.gz DABJXFDEKCZSLM-KGLIPLIRSA-N 1 3 239.407 1.530 10 0 BDAEHO CN1CCC[C@@H]([N@@H+](C)[C@@H](CN)C2CCCC2)C1 ZINC000053206121 187271206 /nfs/dbraw/zinc/27/12/06/187271206.db2.gz DABJXFDEKCZSLM-KGLIPLIRSA-N 1 3 239.407 1.530 10 0 BDAEHO CN(C)c1ccncc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000054240947 187272593 /nfs/dbraw/zinc/27/25/93/187272593.db2.gz RCSZHTLNPOFPTQ-LBPRGKRZSA-N 1 3 248.374 1.901 10 0 BDAEHO CN(C)c1ccncc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000054240947 187272595 /nfs/dbraw/zinc/27/25/95/187272595.db2.gz RCSZHTLNPOFPTQ-LBPRGKRZSA-N 1 3 248.374 1.901 10 0 BDAEHO NC(=[NH2+])N1CCN(C2CCCCCC2)CC1 ZINC000409427528 343801131 /nfs/dbraw/zinc/80/11/31/343801131.db2.gz KRGOIKRTKQFPNW-UHFFFAOYSA-N 1 3 224.352 1.220 10 0 BDAEHO CS[C@H]1CC[C@H]([NH2+]C2CCNCC2)C1 ZINC000235107305 344790446 /nfs/dbraw/zinc/79/04/46/344790446.db2.gz JETIVIALQULFCH-QWRGUYRKSA-N 1 3 214.378 1.612 10 0 BDAEHO CS[C@@H]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC000235122146 344804501 /nfs/dbraw/zinc/80/45/01/344804501.db2.gz JJXOLPIIIFZVER-WDEREUQCSA-N 1 3 214.378 1.694 10 0 BDAEHO C[C@@H]1SCC[C@@H]1N1CCC[C@@H]1C[NH3+] ZINC000235301353 344879359 /nfs/dbraw/zinc/87/93/59/344879359.db2.gz ANSQGVABADWSBS-AEJSXWLSSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1SCC[C@H]1[N@@H+]1CCC[C@@H](N)C1 ZINC000235368039 344895037 /nfs/dbraw/zinc/89/50/37/344895037.db2.gz NQUUWWUYQZIXLO-IVZWLZJFSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1SCC[C@H]1[N@H+]1CCC[C@@H](N)C1 ZINC000235368039 344895038 /nfs/dbraw/zinc/89/50/38/344895038.db2.gz NQUUWWUYQZIXLO-IVZWLZJFSA-N 1 3 200.351 1.304 10 0 BDAEHO Cc1ccc(O)c(CN2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000634999595 345200490 /nfs/dbraw/zinc/20/04/90/345200490.db2.gz WUOATAXGOYUMJZ-KOLCDFICSA-N 1 3 235.331 1.122 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@@H]1CSCCS1 ZINC000229587886 187301853 /nfs/dbraw/zinc/30/18/53/187301853.db2.gz WJSWIJDGYVXLKH-SNVBAGLBSA-N 1 3 232.418 1.177 10 0 BDAEHO C(NC1CC[NH2+]CC1)[C@@H]1CSCCS1 ZINC000229587886 187301855 /nfs/dbraw/zinc/30/18/55/187301855.db2.gz WJSWIJDGYVXLKH-SNVBAGLBSA-N 1 3 232.418 1.177 10 0 BDAEHO CN(C)CCOc1ccc(C(C)(C)[NH3+])cc1 ZINC000137793053 345849891 /nfs/dbraw/zinc/84/98/91/345849891.db2.gz YJUHWFSGQGLGMC-UHFFFAOYSA-N 1 3 222.332 1.821 10 0 BDAEHO CS[C@@H]1CCC[N@@H+](C2CC(N)C2)CC1 ZINC000300840379 362909235 /nfs/dbraw/zinc/90/92/35/362909235.db2.gz MBNKVWWNDDWSQQ-VQXHTEKXSA-N 1 3 214.378 1.694 10 0 BDAEHO CS[C@@H]1CCC[N@H+](C2CC(N)C2)CC1 ZINC000300840379 362909237 /nfs/dbraw/zinc/90/92/37/362909237.db2.gz MBNKVWWNDDWSQQ-VQXHTEKXSA-N 1 3 214.378 1.694 10 0 BDAEHO CS[C@@H]1CCCN(C2CC([NH3+])C2)CC1 ZINC000300840379 362909239 /nfs/dbraw/zinc/90/92/39/362909239.db2.gz MBNKVWWNDDWSQQ-VQXHTEKXSA-N 1 3 214.378 1.694 10 0 BDAEHO C[C@@H]1[C@H](C)SCCN1[C@@H]1CC[C@@H]([NH3+])C1 ZINC000222112597 350091824 /nfs/dbraw/zinc/09/18/24/350091824.db2.gz LOMGLRAUQAZDOU-LMLFDSFASA-N 1 3 214.378 1.692 10 0 BDAEHO Cc1nccn1CCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049331258 180248316 /nfs/dbraw/zinc/24/83/16/180248316.db2.gz IDEICVOBUOGUTI-PBWFPOADSA-N 1 3 248.374 1.406 10 0 BDAEHO NCc1ccc(C2=CC[C@]3(C[C@@H]3[NH3+])CC2)nc1F ZINC000725265257 538091295 /nfs/dbraw/zinc/09/12/95/538091295.db2.gz VAQISBMZIHBVAI-GXTWGEPZSA-N 1 3 247.317 1.964 10 0 BDAEHO O[C@H]1CC[N@@H+](C2CCNCC2)C[C@@H]1CC1CC1 ZINC000409435752 350479037 /nfs/dbraw/zinc/47/90/37/350479037.db2.gz WJVHUMGURGNWTL-JSGCOSHPSA-N 1 3 238.375 1.221 10 0 BDAEHO O[C@H]1CC[N@H+](C2CCNCC2)C[C@@H]1CC1CC1 ZINC000409435752 350479040 /nfs/dbraw/zinc/47/90/40/350479040.db2.gz WJVHUMGURGNWTL-JSGCOSHPSA-N 1 3 238.375 1.221 10 0 BDAEHO O[C@H]1CCN(C2CC[NH2+]CC2)C[C@@H]1CC1CC1 ZINC000409435752 350479042 /nfs/dbraw/zinc/47/90/42/350479042.db2.gz WJVHUMGURGNWTL-JSGCOSHPSA-N 1 3 238.375 1.221 10 0 BDAEHO C[C@H]([NH3+])[C@@H](C)CN1CCSC[C@H]1C ZINC000252858748 350916431 /nfs/dbraw/zinc/91/64/31/350916431.db2.gz MCGVFZNMQLJIIE-AEJSXWLSSA-N 1 3 202.367 1.407 10 0 BDAEHO CN(C1CC([NH3+])C1)[C@H]1CCCSC1 ZINC000306744071 350932374 /nfs/dbraw/zinc/93/23/74/350932374.db2.gz HZZFRSVYWBVKKX-KYHHOPLUSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1C[C@@H]([NH2+]C2CCNCC2)CS1 ZINC000307233305 351699133 /nfs/dbraw/zinc/69/91/33/351699133.db2.gz CMQUMJYZNZVGPF-PSASIEDQSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@@H]1C[C@@H](NC2CC[NH2+]CC2)CS1 ZINC000307233305 351699135 /nfs/dbraw/zinc/69/91/35/351699135.db2.gz CMQUMJYZNZVGPF-PSASIEDQSA-N 1 3 200.351 1.222 10 0 BDAEHO CS[C@@H]1CCCN([C@@H]2CC[C@@H]2C[NH3+])C1 ZINC000307253204 351784106 /nfs/dbraw/zinc/78/41/06/351784106.db2.gz UUGSFUIBMVXFIU-GMTAPVOTSA-N 1 3 214.378 1.551 10 0 BDAEHO CS[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2CN)C1 ZINC000307253204 351784110 /nfs/dbraw/zinc/78/41/10/351784110.db2.gz UUGSFUIBMVXFIU-GMTAPVOTSA-N 1 3 214.378 1.551 10 0 BDAEHO CS[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H]2CN)C1 ZINC000307253204 351784113 /nfs/dbraw/zinc/78/41/13/351784113.db2.gz UUGSFUIBMVXFIU-GMTAPVOTSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@H]1SCC[C@@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000307329902 352029176 /nfs/dbraw/zinc/02/91/76/352029176.db2.gz XIKNKVPOIXBECT-ZNSHCXBVSA-N 1 3 214.378 1.468 10 0 BDAEHO COC(C)(C)[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000301039091 363358829 /nfs/dbraw/zinc/35/88/29/363358829.db2.gz YLUAWSJQJYKHQJ-LPEHRKFASA-N 1 3 200.326 1.079 10 0 BDAEHO C[C@@H]1COC[C@H](C)N1CC[C@@H]1CC[NH2+]C1 ZINC000420296788 192205024 /nfs/dbraw/zinc/20/50/24/192205024.db2.gz DWUOIMBEPWCZML-TUAOUCFPSA-N 1 3 212.337 1.095 10 0 BDAEHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H](O)C(C)(C)C ZINC000324568478 356400659 /nfs/dbraw/zinc/40/06/59/356400659.db2.gz VYXBVVQWWPFWRQ-WOPDTQHZSA-N 1 3 228.380 1.514 10 0 BDAEHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H](O)C(C)(C)C ZINC000324568477 356400771 /nfs/dbraw/zinc/40/07/71/356400771.db2.gz VYXBVVQWWPFWRQ-UTUOFQBUSA-N 1 3 228.380 1.514 10 0 BDAEHO CCN1CCN(C2CC3(C2)CC[NH2+]CC3)CC1 ZINC000675069427 538498145 /nfs/dbraw/zinc/49/81/45/538498145.db2.gz HBUSHENFRVVXSX-UHFFFAOYSA-N 1 3 237.391 1.156 10 0 BDAEHO [NH3+][C@@H]1C=C(C[C@@H]2CCCC2(F)F)CNC1 ZINC000675079000 538517821 /nfs/dbraw/zinc/51/78/21/538517821.db2.gz URNNAOKQCKSRIQ-VHSXEESVSA-N 1 3 216.275 1.669 10 0 BDAEHO [NH3+][C@H]1C=C(CCC2CCOCC2)CNC1 ZINC000675079484 538518954 /nfs/dbraw/zinc/51/89/54/538518954.db2.gz ZLFLRBDMPNRSQL-LBPRGKRZSA-N 1 3 210.321 1.050 10 0 BDAEHO CCN(CC)[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080224 538519518 /nfs/dbraw/zinc/51/95/18/538519518.db2.gz PMEHVAACLHMYFC-GHMZBOCLSA-N 1 3 212.337 1.225 10 0 BDAEHO COCC1(C[NH2+][C@@H]2CCCNCC2)CC1 ZINC000656200486 538784926 /nfs/dbraw/zinc/78/49/26/538784926.db2.gz NPLQQCBAPSTKOA-LLVKDONJSA-N 1 3 212.337 1.145 10 0 BDAEHO CC[N@H+](CCOC)[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685951382 538894634 /nfs/dbraw/zinc/89/46/34/538894634.db2.gz RUUJPZCBIHAEGL-GDNZZTSVSA-N 1 3 214.353 1.199 10 0 BDAEHO CC[N@@H+](CCOC)[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685951382 538894636 /nfs/dbraw/zinc/89/46/36/538894636.db2.gz RUUJPZCBIHAEGL-GDNZZTSVSA-N 1 3 214.353 1.199 10 0 BDAEHO CCN(CCOC)[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685951382 538894637 /nfs/dbraw/zinc/89/46/37/538894637.db2.gz RUUJPZCBIHAEGL-GDNZZTSVSA-N 1 3 214.353 1.199 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1CCSC[C@H]1C ZINC000685951749 538894961 /nfs/dbraw/zinc/89/49/61/538894961.db2.gz XHXZOFMKODQYDJ-KXNHARMFSA-N 1 3 228.405 1.668 10 0 BDAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@@H+]1CCSC[C@H]1C ZINC000685951749 538894963 /nfs/dbraw/zinc/89/49/63/538894963.db2.gz XHXZOFMKODQYDJ-KXNHARMFSA-N 1 3 228.405 1.668 10 0 BDAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@H+]1CCSC[C@H]1C ZINC000685951749 538894966 /nfs/dbraw/zinc/89/49/66/538894966.db2.gz XHXZOFMKODQYDJ-KXNHARMFSA-N 1 3 228.405 1.668 10 0 BDAEHO COC[C@H]1CC[N@@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685951402 538895217 /nfs/dbraw/zinc/89/52/17/538895217.db2.gz SQWHUIKGYQMCLR-QNWHQSFQSA-N 1 3 226.364 1.199 10 0 BDAEHO COC[C@H]1CC[N@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685951402 538895218 /nfs/dbraw/zinc/89/52/18/538895218.db2.gz SQWHUIKGYQMCLR-QNWHQSFQSA-N 1 3 226.364 1.199 10 0 BDAEHO [NH3+][C@@](O)(CCNC1CC1)Cc1ccccc1 ZINC000584596856 358254522 /nfs/dbraw/zinc/25/45/22/358254522.db2.gz NZTBHLXSNXJRNU-CYBMUJFWSA-N 1 3 220.316 1.019 10 0 BDAEHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000306165667 358974064 /nfs/dbraw/zinc/97/40/64/358974064.db2.gz VYGIQYDACBBYBB-OPRDCNLKSA-N 1 3 200.351 1.080 10 0 BDAEHO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCSC1 ZINC000306165667 358974067 /nfs/dbraw/zinc/97/40/67/358974067.db2.gz VYGIQYDACBBYBB-OPRDCNLKSA-N 1 3 200.351 1.080 10 0 BDAEHO C[C@@H](N)[C@@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000306312516 359593288 /nfs/dbraw/zinc/59/32/88/359593288.db2.gz KUOLXSMOGGCWLM-RKDXNWHRSA-N 1 3 202.367 1.550 10 0 BDAEHO C[C@@H](N)[C@@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000306312516 359593292 /nfs/dbraw/zinc/59/32/92/359593292.db2.gz KUOLXSMOGGCWLM-RKDXNWHRSA-N 1 3 202.367 1.550 10 0 BDAEHO C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000629545224 361425487 /nfs/dbraw/zinc/42/54/87/361425487.db2.gz COBQPDKEVLJWNU-DOERSZECSA-N 1 3 238.375 1.532 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@H]1CCCNC1 ZINC000629545224 361425492 /nfs/dbraw/zinc/42/54/92/361425492.db2.gz COBQPDKEVLJWNU-DOERSZECSA-N 1 3 238.375 1.532 10 0 BDAEHO CCCCCN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630355355 364077400 /nfs/dbraw/zinc/07/74/00/364077400.db2.gz GWZTWIUZAFNFIZ-VXGBXAGGSA-N 1 3 214.353 1.615 10 0 BDAEHO CO[C@H]1CN(CC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630354789 364077992 /nfs/dbraw/zinc/07/79/92/364077992.db2.gz AZIWGHNNKQPZAK-GHMZBOCLSA-N 1 3 200.326 1.081 10 0 BDAEHO [NH3+]CCN[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000037712740 364545036 /nfs/dbraw/zinc/54/50/36/364545036.db2.gz XZFZZKSQVNTABY-CQSZACIVSA-N 1 3 233.359 1.199 10 0 BDAEHO CO[C@@H]([C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1)C1CC1 ZINC000579822393 367023716 /nfs/dbraw/zinc/02/37/16/367023716.db2.gz GVKHLIROASEFIM-WVWOOGAGSA-N 1 3 240.391 1.778 10 0 BDAEHO CO[C@@H]([C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000579822393 367023724 /nfs/dbraw/zinc/02/37/24/367023724.db2.gz GVKHLIROASEFIM-WVWOOGAGSA-N 1 3 240.391 1.778 10 0 BDAEHO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCCNC1 ZINC000581185027 367285430 /nfs/dbraw/zinc/28/54/30/367285430.db2.gz DETHAZOXOVDSLD-DHGKCCLASA-N 1 3 240.391 1.778 10 0 BDAEHO C[C@H](N[C@@H]1CO[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000581608617 367631997 /nfs/dbraw/zinc/63/19/97/367631997.db2.gz ZOCNNVWHFMUDEG-KXNHARMFSA-N 1 3 212.337 1.142 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCCNC1 ZINC000581608617 367632002 /nfs/dbraw/zinc/63/20/02/367632002.db2.gz ZOCNNVWHFMUDEG-KXNHARMFSA-N 1 3 212.337 1.142 10 0 BDAEHO OC[C@H]([NH2+][C@H]1CCCNCC1)C1CCCCC1 ZINC000386305907 367948023 /nfs/dbraw/zinc/94/80/23/367948023.db2.gz WEDPFBQXMCQLEB-KBPBESRZSA-N 1 3 240.391 1.659 10 0 BDAEHO OC[C@H](N[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000386305907 367948024 /nfs/dbraw/zinc/94/80/24/367948024.db2.gz WEDPFBQXMCQLEB-KBPBESRZSA-N 1 3 240.391 1.659 10 0 BDAEHO C[C@H]([NH3+])CCN1CCS[C@H](C)[C@@H]1C ZINC000253068888 368443683 /nfs/dbraw/zinc/44/36/83/368443683.db2.gz LEAFAGPQWYQDML-LPEHRKFASA-N 1 3 202.367 1.550 10 0 BDAEHO COCC1(C[NH2+][C@H](C)[C@@H]2CCCNC2)CCC1 ZINC000568974418 326384167 /nfs/dbraw/zinc/38/41/67/326384167.db2.gz QOPUXISGBUCZHX-CHWSQXEVSA-N 1 3 240.391 1.781 10 0 BDAEHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](N)C2)CS1 ZINC000227511526 371878811 /nfs/dbraw/zinc/87/88/11/371878811.db2.gz BFMCSXHBTZBRTH-BBBLOLIVSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](N)C2)CS1 ZINC000227511526 371878816 /nfs/dbraw/zinc/87/88/16/371878816.db2.gz BFMCSXHBTZBRTH-BBBLOLIVSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(N)=[NH2+] ZINC000306876901 372075183 /nfs/dbraw/zinc/07/51/83/372075183.db2.gz CBMGVEHJPYJJIR-AAEUAGOBSA-N 1 3 246.358 1.380 10 0 BDAEHO CCCC[C@H](N)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000049221277 169007405 /nfs/dbraw/zinc/00/74/05/169007405.db2.gz DQCUHDNLIKWSDJ-RYUDHWBXSA-N 1 3 243.395 1.206 10 0 BDAEHO OC[C@@H]1CC[NH2+]CCN1CC1CCCCC1 ZINC000067172121 183125192 /nfs/dbraw/zinc/12/51/92/183125192.db2.gz PDJVYAUURLPKAT-ZDUSSCGKSA-N 1 3 226.364 1.223 10 0 BDAEHO CCC[NH+]1CCC(NC2=NC[C@H](C)S2)CC1 ZINC000049559145 169188932 /nfs/dbraw/zinc/18/89/32/169188932.db2.gz WZPTULMALMMAHN-JTQLQIEISA-N 1 3 241.404 1.942 10 0 BDAEHO CCCN1CCN([C@@H](CC)C[NH2+]C2CC2)CC1 ZINC000052421773 169202299 /nfs/dbraw/zinc/20/22/99/169202299.db2.gz UYFZPRPZVMKANY-AWEZNQCLSA-N 1 3 239.407 1.545 10 0 BDAEHO CCCN1CCN(CC[C@@H]2CCC[NH2+]2)CC1 ZINC000042171894 169202905 /nfs/dbraw/zinc/20/29/05/169202905.db2.gz JWAZSWIQTQGVMJ-ZDUSSCGKSA-N 1 3 225.380 1.156 10 0 BDAEHO CCC[NH2+]CCc1csc(CCN(C)C)n1 ZINC000076812020 169261041 /nfs/dbraw/zinc/26/10/41/169261041.db2.gz SNBDDXORVUVOQG-UHFFFAOYSA-N 1 3 241.404 1.789 10 0 BDAEHO CCC[NH2+]CC[C@H](C)N1CCN(C)[C@H](CC)C1 ZINC000104126327 169261696 /nfs/dbraw/zinc/26/16/96/169261696.db2.gz OCFZTPMOBIBVQD-UONOGXRCSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+][C@H]1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000053875915 169290917 /nfs/dbraw/zinc/29/09/17/169290917.db2.gz FUNVITOQECLYRL-MCIONIFRSA-N 1 3 240.391 1.611 10 0 BDAEHO COC[C@H](N[C@@H]1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000222739929 134334222 /nfs/dbraw/zinc/33/42/22/134334222.db2.gz XQQDUAXWSZYASX-UPJWGTAASA-N 1 3 228.380 1.730 10 0 BDAEHO CC[C@@H]1CN(CC2(C[NH3+])CCCC2)CCN1C ZINC000104134987 171077220 /nfs/dbraw/zinc/07/72/20/171077220.db2.gz DNYQKKZODPDQRT-CYBMUJFWSA-N 1 3 239.407 1.532 10 0 BDAEHO C[C@H]1C[C@@]2(CCN1C)[NH2+]C(C)(C)CS2 ZINC000156990457 385479663 /nfs/dbraw/zinc/47/96/63/385479663.db2.gz MVMGRQSXKKYAPO-ONGXEEELSA-N 1 3 214.378 1.912 10 0 BDAEHO C[C@H](NC[C@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000519693566 386528585 /nfs/dbraw/zinc/52/85/85/386528585.db2.gz QUFFYZURDRWWOJ-RWMBFGLXSA-N 1 3 226.364 1.533 10 0 BDAEHO CCN(CCN[C@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000519698306 386533798 /nfs/dbraw/zinc/53/37/98/386533798.db2.gz IKQOQUDQGYUGMU-OLZOCXBDSA-N 1 3 239.407 1.448 10 0 BDAEHO CN(C1CC([NH3+])C1)C1CCSCC1 ZINC000307250844 386552944 /nfs/dbraw/zinc/55/29/44/386552944.db2.gz QAKMLDXSLQQORV-UHFFFAOYSA-N 1 3 200.351 1.304 10 0 BDAEHO FC1(F)CC[C@@H](C[NH2+][C@H]2CCNC2)C1 ZINC000335028351 387122802 /nfs/dbraw/zinc/12/28/02/387122802.db2.gz INZNMAXPSMBGHQ-BDAKNGLRSA-N 1 3 204.264 1.373 10 0 BDAEHO COc1c(F)cccc1[C@H](N)CCCC[NH3+] ZINC000575439466 387122954 /nfs/dbraw/zinc/12/29/54/387122954.db2.gz MVJCALSTIIQSNQ-LLVKDONJSA-N 1 3 226.295 1.963 10 0 BDAEHO N[C@H](CCC[NH3+])c1c(F)cccc1F ZINC000575439385 387124609 /nfs/dbraw/zinc/12/46/09/387124609.db2.gz ICFUPPBNCUFDHM-SECBINFHSA-N 1 3 200.232 1.704 10 0 BDAEHO N[C@@H](CCC[NH3+])c1ccc(F)c(F)c1F ZINC000575439762 387126485 /nfs/dbraw/zinc/12/64/85/387126485.db2.gz YCYNONPIAQPBJY-QMMMGPOBSA-N 1 3 218.222 1.843 10 0 BDAEHO C[C@@H]1CC[C@H](N)C[N@@H+]1[C@@H]1CCSC1 ZINC000575480273 387169574 /nfs/dbraw/zinc/16/95/74/387169574.db2.gz HSFOMFYBYVWCCI-KXUCPTDWSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1CC[C@H](N)C[N@H+]1[C@@H]1CCSC1 ZINC000575480273 387169577 /nfs/dbraw/zinc/16/95/77/387169577.db2.gz HSFOMFYBYVWCCI-KXUCPTDWSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@H]1C[C@H]([NH3+])CCN1CC1CSC1 ZINC000575487122 387256783 /nfs/dbraw/zinc/25/67/83/387256783.db2.gz KZISQSMGLYVLNU-WCBMZHEXSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@H]1C[C@H](N)CC[N@@H+]1CC1CSC1 ZINC000575487122 387256789 /nfs/dbraw/zinc/25/67/89/387256789.db2.gz KZISQSMGLYVLNU-WCBMZHEXSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@H]1C[C@H](N)CC[N@H+]1CC1CSC1 ZINC000575487122 387256794 /nfs/dbraw/zinc/25/67/94/387256794.db2.gz KZISQSMGLYVLNU-WCBMZHEXSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H](NCCc1ccsc1)[C@H]1CC[NH2+]C1 ZINC000400437793 387302992 /nfs/dbraw/zinc/30/29/92/387302992.db2.gz NDZLHTQFZCBUQJ-PWSUYJOCSA-N 1 3 224.373 1.878 10 0 BDAEHO CSCCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400446245 387345288 /nfs/dbraw/zinc/34/52/88/387345288.db2.gz POZRCNJARQLBKX-UWVGGRQHSA-N 1 3 202.367 1.327 10 0 BDAEHO C[C@H](C[NH2+][C@@H]1CCNC1)CC(F)(F)F ZINC000396923422 387515882 /nfs/dbraw/zinc/51/58/82/387515882.db2.gz POKPFQBOBZAMTQ-JGVFFNPUSA-N 1 3 210.243 1.526 10 0 BDAEHO C[C@@H](NCCN1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000643456760 387691926 /nfs/dbraw/zinc/69/19/26/387691926.db2.gz WWRGXHUBBQVPMT-OLZOCXBDSA-N 1 3 225.380 1.060 10 0 BDAEHO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@H]1CCCNC1 ZINC000643457190 387807990 /nfs/dbraw/zinc/80/79/90/387807990.db2.gz CRTQLJLTMJINCY-XUXIUFHCSA-N 1 3 240.391 1.515 10 0 BDAEHO CCOC1CC(CC[NH2+][C@H]2CCNC2)C1 ZINC000423074801 387875332 /nfs/dbraw/zinc/87/53/32/387875332.db2.gz VIZAVTWUZBCMKL-CXQJBGSLSA-N 1 3 212.337 1.143 10 0 BDAEHO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCNC2)C[C@H](C)O1 ZINC000423104066 387889138 /nfs/dbraw/zinc/88/91/38/387889138.db2.gz PTFIFGWDQQDUFQ-WRWGMCAJSA-N 1 3 212.337 1.142 10 0 BDAEHO CO[C@@H]1C[C@H](N[C@@H](C)[C@H]2CC[NH2+]C2)C12CCC2 ZINC000423172068 387958747 /nfs/dbraw/zinc/95/87/47/387958747.db2.gz RDSKBWCRGKSWQF-ZDEQEGDKSA-N 1 3 238.375 1.532 10 0 BDAEHO C[C@@H]1CC[C@@H](CN(C)[C@H]2CCC[NH2+]CC2)O1 ZINC000300232651 388356233 /nfs/dbraw/zinc/35/62/33/388356233.db2.gz HOHHSTDJVKTSCG-AGIUHOORSA-N 1 3 226.364 1.628 10 0 BDAEHO Cc1cccnc1CCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000404961077 388447734 /nfs/dbraw/zinc/44/77/34/388447734.db2.gz VJINBZNOCLJREW-QWHCGFSZSA-N 1 3 233.359 1.520 10 0 BDAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NCC2=CCCOC2)C1 ZINC000245708389 388600986 /nfs/dbraw/zinc/60/09/86/388600986.db2.gz YSTANZRNDZXVRM-TZMCWYRMSA-N 1 3 238.375 1.651 10 0 BDAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NCC2=CCCOC2)C1 ZINC000245708389 388600987 /nfs/dbraw/zinc/60/09/87/388600987.db2.gz YSTANZRNDZXVRM-TZMCWYRMSA-N 1 3 238.375 1.651 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CCNCC1 ZINC000530224984 388633875 /nfs/dbraw/zinc/63/38/75/388633875.db2.gz NLWALHJBXXIWFU-UXCLJVHYSA-N 1 3 212.337 1.140 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC1CC[NH2+]CC1 ZINC000530224984 388633879 /nfs/dbraw/zinc/63/38/79/388633879.db2.gz NLWALHJBXXIWFU-UXCLJVHYSA-N 1 3 212.337 1.140 10 0 BDAEHO [NH3+]CCC1CCN(c2ccncc2)CC1 ZINC000053705703 132363331 /nfs/dbraw/zinc/36/33/31/132363331.db2.gz UMDLIABIZYDUHP-UHFFFAOYSA-N 1 3 205.305 1.647 10 0 BDAEHO Cc1cc(N2CCN(C[C@H](C)O)[C@@H](C)C2)cc[nH+]1 ZINC000274402540 132202878 /nfs/dbraw/zinc/20/28/78/132202878.db2.gz YCBYBKLOUDAXIU-STQMWFEESA-N 1 3 249.358 1.281 10 0 BDAEHO C[NH2+]Cc1ccccc1N1CCN(C(C)C)CC1 ZINC000036190568 132340684 /nfs/dbraw/zinc/34/06/84/132340684.db2.gz HKSYWHUNIAHKBY-UHFFFAOYSA-N 1 3 247.386 1.936 10 0 BDAEHO CC[C@H](C)N1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000055066264 132365404 /nfs/dbraw/zinc/36/54/04/132365404.db2.gz BJEZOCZKPUCFSP-NSHDSACASA-N 1 3 234.347 1.584 10 0 BDAEHO CN1CCC[C@@H]2C[N@@H+](C3CCC3)CC[C@@H]21 ZINC000179586640 134322071 /nfs/dbraw/zinc/32/20/71/134322071.db2.gz DAHQLXBLVVDNQD-YPMHNXCESA-N 1 3 208.349 1.955 10 0 BDAEHO CN1CCC[C@@H]2C[N@H+](C3CCC3)CC[C@@H]21 ZINC000179586640 134322072 /nfs/dbraw/zinc/32/20/72/134322072.db2.gz DAHQLXBLVVDNQD-YPMHNXCESA-N 1 3 208.349 1.955 10 0 BDAEHO CC(C)OCCCC[NH2+][C@H]1CCCNCC1 ZINC000224969282 134352340 /nfs/dbraw/zinc/35/23/40/134352340.db2.gz HMURMGCPFCKXIS-ZDUSSCGKSA-N 1 3 228.380 1.923 10 0 BDAEHO CC1(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000261536822 135172656 /nfs/dbraw/zinc/17/26/56/135172656.db2.gz TUZZSACGNHGNGW-VXGBXAGGSA-N 1 3 208.349 1.718 10 0 BDAEHO CCC1(C[NH2+]C[C@@H]2CCCNC2)CCOCC1 ZINC000261548558 135187362 /nfs/dbraw/zinc/18/73/62/135187362.db2.gz JQTQWTUYBXWIDR-CYBMUJFWSA-N 1 3 240.391 1.782 10 0 BDAEHO CCC1(C[N@@H+]2CC[C@@H](CN)C2)CCOCC1 ZINC000261560912 135202173 /nfs/dbraw/zinc/20/21/73/135202173.db2.gz AIGUCKKMFQCTKX-LBPRGKRZSA-N 1 3 226.364 1.474 10 0 BDAEHO CCC1(C[N@H+]2CC[C@@H](CN)C2)CCOCC1 ZINC000261560912 135202175 /nfs/dbraw/zinc/20/21/75/135202175.db2.gz AIGUCKKMFQCTKX-LBPRGKRZSA-N 1 3 226.364 1.474 10 0 BDAEHO CC1(C)C[N@H+](CC[C@@H]2CCCO2)CC[C@@H]1N ZINC000261590927 135231404 /nfs/dbraw/zinc/23/14/04/135231404.db2.gz UVZHJOORZWTQGQ-RYUDHWBXSA-N 1 3 226.364 1.615 10 0 BDAEHO CC1(C)C[N@@H+](CC[C@@H]2CCCO2)CC[C@@H]1N ZINC000261590927 135231406 /nfs/dbraw/zinc/23/14/06/135231406.db2.gz UVZHJOORZWTQGQ-RYUDHWBXSA-N 1 3 226.364 1.615 10 0 BDAEHO CC[C@@H]1CCC[C@H](CNC[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000263205604 135339044 /nfs/dbraw/zinc/33/90/44/135339044.db2.gz JQDFDNOIJXMAQX-RQJABVFESA-N 1 3 240.391 1.373 10 0 BDAEHO CC[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CNC[C@@H]2O)C1 ZINC000263205604 135339046 /nfs/dbraw/zinc/33/90/46/135339046.db2.gz JQDFDNOIJXMAQX-RQJABVFESA-N 1 3 240.391 1.373 10 0 BDAEHO COC[C@H](CC[NH2+][C@@H](C)[C@H]1CCCNC1)OC ZINC000665235627 410725790 /nfs/dbraw/zinc/72/57/90/410725790.db2.gz XKQNYQULJLTQNP-AVGNSLFASA-N 1 3 244.379 1.016 10 0 BDAEHO C[C@H]([NH3+])CC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000040809205 410894453 /nfs/dbraw/zinc/89/44/53/410894453.db2.gz WAYNNTYYIRGAJX-WCQYABFASA-N 1 3 249.358 1.143 10 0 BDAEHO CC(C)[NH2+]C[C@@H](C)CN(C)[C@@H]1CCCN(C)C1 ZINC000053249969 167111769 /nfs/dbraw/zinc/11/17/69/167111769.db2.gz YWUUDWDHGFYYIB-ZIAGYGMSSA-N 1 3 241.423 1.647 10 0 BDAEHO CC(C)[NH2+]Cc1cnc(CCN(C)C)s1 ZINC000082418193 167121722 /nfs/dbraw/zinc/12/17/22/167121722.db2.gz HDWVLXXTRIJVET-UHFFFAOYSA-N 1 3 227.377 1.745 10 0 BDAEHO CC(C)[C@@H](C[NH3+])N1CCN(C(C)(C)C)CC1 ZINC000042461615 167397185 /nfs/dbraw/zinc/39/71/85/167397185.db2.gz JMNWJHQQTFWQOO-GFCCVEGCSA-N 1 3 227.396 1.386 10 0 BDAEHO Cc1cnccc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000129739002 411387037 /nfs/dbraw/zinc/38/70/37/411387037.db2.gz ITYZLKHOOLOZND-DGCLKSJQSA-N 1 3 219.332 1.607 10 0 BDAEHO CC[N@@H+]1CC[C@H](CNC2=NC(C)(C)CS2)C1 ZINC000037484497 170015672 /nfs/dbraw/zinc/01/56/72/170015672.db2.gz FSEMAHVYUVOELU-SNVBAGLBSA-N 1 3 241.404 1.799 10 0 BDAEHO CC[N@H+]1CC[C@H](CNC2=NC(C)(C)CS2)C1 ZINC000037484497 170015673 /nfs/dbraw/zinc/01/56/73/170015673.db2.gz FSEMAHVYUVOELU-SNVBAGLBSA-N 1 3 241.404 1.799 10 0 BDAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCOCC1 ZINC000054628237 170109382 /nfs/dbraw/zinc/10/93/82/170109382.db2.gz ZSEHGMVLFWJMPU-QXMXGUDHSA-N 1 3 238.375 1.770 10 0 BDAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCOCC1 ZINC000054628237 170109384 /nfs/dbraw/zinc/10/93/84/170109384.db2.gz ZSEHGMVLFWJMPU-QXMXGUDHSA-N 1 3 238.375 1.770 10 0 BDAEHO CC[NH2+]Cc1occc1CN(C)CCCOC ZINC000062035989 170132540 /nfs/dbraw/zinc/13/25/40/170132540.db2.gz LXMPTHKRIAMQBY-UHFFFAOYSA-N 1 3 240.347 1.857 10 0 BDAEHO CC[NH2+][C@@H](C)CN1CCN([C@H](C)CC)CC1 ZINC000055065620 170139288 /nfs/dbraw/zinc/13/92/88/170139288.db2.gz NOGSRFOEFYNALR-QWHCGFSZSA-N 1 3 227.396 1.401 10 0 BDAEHO CC[NH2+][C@@H]1CCN(C2CCOCC2)C[C@@H]1C ZINC000049711409 170151928 /nfs/dbraw/zinc/15/19/28/170151928.db2.gz NMUVROYJCUSVBO-WCQYABFASA-N 1 3 226.364 1.485 10 0 BDAEHO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN(CC)CCO ZINC000053869605 170153442 /nfs/dbraw/zinc/15/34/42/170153442.db2.gz RUKKHNHUGFUSGS-BFHYXJOUSA-N 1 3 242.407 1.715 10 0 BDAEHO CC[NH2+][C@H]1CCC[C@H]1CN1CCCC[C@@H]1CO ZINC000053877175 170166968 /nfs/dbraw/zinc/16/69/68/170166968.db2.gz GZJUWNKFJJDCKU-MJBXVCDLSA-N 1 3 240.391 1.611 10 0 BDAEHO CC[C@@](C)(C[NH3+])CN(CCCOC)CCOC ZINC000051253501 171167301 /nfs/dbraw/zinc/16/73/01/171167301.db2.gz JENHZNPYIMTESC-ZDUSSCGKSA-N 1 3 246.395 1.346 10 0 BDAEHO CC[C@@](C)(CN)C[N@H+](CCCOC)CCOC ZINC000051253501 171167302 /nfs/dbraw/zinc/16/73/02/171167302.db2.gz JENHZNPYIMTESC-ZDUSSCGKSA-N 1 3 246.395 1.346 10 0 BDAEHO CC[C@@](C)(CN)C[N@@H+](CCCOC)CCOC ZINC000051253501 171167303 /nfs/dbraw/zinc/16/73/03/171167303.db2.gz JENHZNPYIMTESC-ZDUSSCGKSA-N 1 3 246.395 1.346 10 0 BDAEHO CC[C@H](C)N1CCN([C@@](C)(C[NH3+])C(C)C)CC1 ZINC000055064413 171318865 /nfs/dbraw/zinc/31/88/65/171318865.db2.gz CCEROQSTMPCBHA-KBPBESRZSA-N 1 3 241.423 1.776 10 0 BDAEHO CC[C@@H](C)[C@@H](C[NH3+])N1CCN([C@@H](C)CC)CC1 ZINC000055064295 171319187 /nfs/dbraw/zinc/31/91/87/171319187.db2.gz KRIZAIQDGLXTLP-HZSPNIEDSA-N 1 3 241.423 1.776 10 0 BDAEHO C[C@@H]1CCC[C@H](CNC2CC[NH2+]CC2)O1 ZINC000665264926 412207366 /nfs/dbraw/zinc/20/73/66/412207366.db2.gz LYFNZZHXDUIVQN-ZYHUDNBSSA-N 1 3 212.337 1.286 10 0 BDAEHO C[C@@H]1CCC[C@H](C[NH2+]C2CCNCC2)O1 ZINC000665264926 412207369 /nfs/dbraw/zinc/20/73/69/412207369.db2.gz LYFNZZHXDUIVQN-ZYHUDNBSSA-N 1 3 212.337 1.286 10 0 BDAEHO CO[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000665276127 412220031 /nfs/dbraw/zinc/22/00/31/412220031.db2.gz YWAXWVCVNILZBX-FPMFFAJLSA-N 1 3 240.391 1.779 10 0 BDAEHO CN1CCCN([C@@H](C[NH3+])c2cccs2)CC1 ZINC000020217636 173016493 /nfs/dbraw/zinc/01/64/93/173016493.db2.gz ZZARUMKIVNSOPT-NSHDSACASA-N 1 3 239.388 1.385 10 0 BDAEHO C[NH2+]CC1(CN2CC[C@@H](O)C2)CCCCC1 ZINC000061711756 173337621 /nfs/dbraw/zinc/33/76/21/173337621.db2.gz DXLJQAAYSQDJEG-GFCCVEGCSA-N 1 3 226.364 1.223 10 0 BDAEHO C[NH2+]CC1(CN2CCC[C@H](O)C2)CCCC1 ZINC000051257021 173337681 /nfs/dbraw/zinc/33/76/81/173337681.db2.gz FJYBNOLJYVGVIJ-LBPRGKRZSA-N 1 3 226.364 1.223 10 0 BDAEHO C[NH2+]CC1(CN2CCC[C@@H](O)C2)CCCC1 ZINC000051257023 173337896 /nfs/dbraw/zinc/33/78/96/173337896.db2.gz FJYBNOLJYVGVIJ-GFCCVEGCSA-N 1 3 226.364 1.223 10 0 BDAEHO CNC[C@@]1(C[N@@H+]2CCC[C@H](C)C2)CCCOC1 ZINC000104321318 173373205 /nfs/dbraw/zinc/37/32/05/173373205.db2.gz YDHYMBGQOLOLAX-UONOGXRCSA-N 1 3 240.391 1.735 10 0 BDAEHO CNC[C@@]1(C[N@H+]2CCC[C@H](C)C2)CCCOC1 ZINC000104321318 173373206 /nfs/dbraw/zinc/37/32/06/173373206.db2.gz YDHYMBGQOLOLAX-UONOGXRCSA-N 1 3 240.391 1.735 10 0 BDAEHO C[NH2+]C[C@@]1(CN2CCC[C@H](C)C2)CCCOC1 ZINC000104321318 173373207 /nfs/dbraw/zinc/37/32/07/173373207.db2.gz YDHYMBGQOLOLAX-UONOGXRCSA-N 1 3 240.391 1.735 10 0 BDAEHO C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000034823852 173390167 /nfs/dbraw/zinc/39/01/67/173390167.db2.gz XBGJGSLHHKRHIV-UHFFFAOYSA-N 1 3 247.386 1.936 10 0 BDAEHO COC1CC[NH+]([C@@H]2C[C@@H](C)CC[C@H]2CN)CC1 ZINC000037265710 174029675 /nfs/dbraw/zinc/02/96/75/174029675.db2.gz VDRYGTSWQQTUEM-SGMGOOAPSA-N 1 3 240.391 1.861 10 0 BDAEHO COCCCN1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049665802 174233549 /nfs/dbraw/zinc/23/35/49/174233549.db2.gz VMHPHMZKZVSGHG-TXEJJXNPSA-N 1 3 214.353 1.485 10 0 BDAEHO COCC[N@H+](CC(C)C)C[C@H](C)CNC1CC1 ZINC000052508461 174287273 /nfs/dbraw/zinc/28/72/73/174287273.db2.gz LFZWXLLFDMHVLE-CYBMUJFWSA-N 1 3 242.407 1.979 10 0 BDAEHO COCC[N@@H+](CC(C)C)C[C@H](C)CNC1CC1 ZINC000052508461 174287275 /nfs/dbraw/zinc/28/72/75/174287275.db2.gz LFZWXLLFDMHVLE-CYBMUJFWSA-N 1 3 242.407 1.979 10 0 BDAEHO COCCN(CC(C)C)C[C@H](C)C[NH2+]C1CC1 ZINC000052508461 174287276 /nfs/dbraw/zinc/28/72/76/174287276.db2.gz LFZWXLLFDMHVLE-CYBMUJFWSA-N 1 3 242.407 1.979 10 0 BDAEHO COCC[N@@H+]1CCCN[C@H](Cc2ccccc2)C1 ZINC000062623417 174306249 /nfs/dbraw/zinc/30/62/49/174306249.db2.gz UWMXKPJJCYJFFE-OAHLLOKOSA-N 1 3 248.370 1.539 10 0 BDAEHO COCC[N@H+]1CCCN[C@H](Cc2ccccc2)C1 ZINC000062623417 174306250 /nfs/dbraw/zinc/30/62/50/174306250.db2.gz UWMXKPJJCYJFFE-OAHLLOKOSA-N 1 3 248.370 1.539 10 0 BDAEHO COc1cccc(CC[NH3+])c1OCCN(C)C ZINC000011961429 175252003 /nfs/dbraw/zinc/25/20/03/175252003.db2.gz RAOUIEVJFKOLSI-UHFFFAOYSA-N 1 3 238.331 1.137 10 0 BDAEHO C[C@@H]1CCC[C@@](C[NH3+])(N2CCCOCC2)C1 ZINC000061916614 176133849 /nfs/dbraw/zinc/13/38/49/176133849.db2.gz FGWJJXRXLQCEHY-CHWSQXEVSA-N 1 3 226.364 1.616 10 0 BDAEHO C[C@@H]1CCN(Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071267744 176174423 /nfs/dbraw/zinc/17/44/23/176174423.db2.gz VEZGUTKUBPSWHO-SECBINFHSA-N 1 3 235.306 1.952 10 0 BDAEHO C[C@@H]1CN(CC(C)(C)C[NH3+])CCCO1 ZINC000061934201 176284830 /nfs/dbraw/zinc/28/48/30/176284830.db2.gz DVIKXKQUCOBMBK-SNVBAGLBSA-N 1 3 200.326 1.082 10 0 BDAEHO C[C@@H]1C[N@H+](CC(C)(C)CN)CCCO1 ZINC000061934201 176284832 /nfs/dbraw/zinc/28/48/32/176284832.db2.gz DVIKXKQUCOBMBK-SNVBAGLBSA-N 1 3 200.326 1.082 10 0 BDAEHO C[C@@H]1C[N@@H+](CC(C)(C)CN)CCCO1 ZINC000061934201 176284833 /nfs/dbraw/zinc/28/48/33/176284833.db2.gz DVIKXKQUCOBMBK-SNVBAGLBSA-N 1 3 200.326 1.082 10 0 BDAEHO C[C@@H]1CN(CC2CCC([NH3+])CC2)[C@H](C)CO1 ZINC000037482477 176286964 /nfs/dbraw/zinc/28/69/64/176286964.db2.gz YPKBZHMSRLYMHL-OKZRHMCRSA-N 1 3 226.364 1.613 10 0 BDAEHO C[C@@H]1CN(CCN(C)C)c2ccccc2C[NH2+]1 ZINC000062616664 176290648 /nfs/dbraw/zinc/29/06/48/176290648.db2.gz SYYWBYYOUSWTCY-GFCCVEGCSA-N 1 3 233.359 1.546 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@@H](C)CN(CCc2ccco2)C1 ZINC000049667390 176329228 /nfs/dbraw/zinc/32/92/28/176329228.db2.gz YXTFDZYKZZORGC-CHWSQXEVSA-N 1 3 236.359 2.000 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@@H](C)CN(C[C@@H]2CCCCO2)C1 ZINC000042824658 176329326 /nfs/dbraw/zinc/32/93/26/176329326.db2.gz UXINUUZTIJIZFB-MCIONIFRSA-N 1 3 240.391 1.733 10 0 BDAEHO C[C@H]1C[N@H+](CC2(CN)CCCC2)CCCO1 ZINC000061934216 177245024 /nfs/dbraw/zinc/24/50/24/177245024.db2.gz LRAUDRQAESVXTJ-LBPRGKRZSA-N 1 3 226.364 1.616 10 0 BDAEHO C[C@H]1C[N@@H+](CC2(CN)CCCC2)CCCO1 ZINC000061934216 177245025 /nfs/dbraw/zinc/24/50/25/177245025.db2.gz LRAUDRQAESVXTJ-LBPRGKRZSA-N 1 3 226.364 1.616 10 0 BDAEHO C[C@H]1CN(CC2(C[NH3+])CCCC2)CCCO1 ZINC000061934216 177245026 /nfs/dbraw/zinc/24/50/26/177245026.db2.gz LRAUDRQAESVXTJ-LBPRGKRZSA-N 1 3 226.364 1.616 10 0 BDAEHO C[C@H]1CN(CCCC2CC[NH2+]CC2)CCN1C ZINC000104351613 177247453 /nfs/dbraw/zinc/24/74/53/177247453.db2.gz KLMODVVHPZWDDF-ZDUSSCGKSA-N 1 3 239.407 1.402 10 0 BDAEHO C[C@H]1C[NH+]=C(NC[C@H]2CCN(C)C2)S1 ZINC000037485236 177282149 /nfs/dbraw/zinc/28/21/49/177282149.db2.gz XHRQKRWYRLLKGD-DTWKUNHWSA-N 1 3 213.350 1.019 10 0 BDAEHO C[C@H](N[C@@H](CO)CC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400348315 226341359 /nfs/dbraw/zinc/34/13/59/226341359.db2.gz LIBAFTHPGLYOIN-SDDRHHMPSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@H]([NH3+])CNc1ccnc2ccccc21 ZINC000082575422 487677528 /nfs/dbraw/zinc/67/75/28/487677528.db2.gz LUFJFBWSYDVVGH-VIFPVBQESA-N 1 3 201.273 1.994 10 0 BDAEHO C[C@H](NCCOC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000569918726 323044351 /nfs/dbraw/zinc/04/43/51/323044351.db2.gz MWNGUVZRWXXNLH-IUCAKERBSA-N 1 3 240.269 1.501 10 0 BDAEHO C[C@H]([NH2+]CCOC(F)(F)F)[C@H]1CCCNC1 ZINC000569918726 323044352 /nfs/dbraw/zinc/04/43/52/323044352.db2.gz MWNGUVZRWXXNLH-IUCAKERBSA-N 1 3 240.269 1.501 10 0 BDAEHO Cc1ccc(CCN[C@@H](C)[C@@H]2CCC[NH2+]C2)nc1 ZINC000570035746 323047722 /nfs/dbraw/zinc/04/77/22/323047722.db2.gz PNXSTLQQCNVTLA-UONOGXRCSA-N 1 3 247.386 1.910 10 0 BDAEHO C[C@H](N[C@@H]1CCCOC1)[C@H]1CCC[NH2+]C1 ZINC000570832424 323072137 /nfs/dbraw/zinc/07/21/37/323072137.db2.gz WCNDTPWLQGLLQD-SDDRHHMPSA-N 1 3 212.337 1.143 10 0 BDAEHO CCC[C@H](CN[C@H]1CCC[NH2+]CC1)OCC ZINC000530212328 324524534 /nfs/dbraw/zinc/52/45/34/324524534.db2.gz QGRYOFIJJHLIGE-QWHCGFSZSA-N 1 3 228.380 1.923 10 0 BDAEHO C[C@@H]([NH2+]CCCC(C)(C)CO)[C@@H]1CCCNC1 ZINC000569211795 326395010 /nfs/dbraw/zinc/39/50/10/326395010.db2.gz KSKPETPYTMKKKX-CHWSQXEVSA-N 1 3 242.407 1.763 10 0 BDAEHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000084220313 488038483 /nfs/dbraw/zinc/03/84/83/488038483.db2.gz DEOZPXZMRLMUES-SDDRHHMPSA-N 1 3 212.337 1.273 10 0 BDAEHO CCCN1CC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000389517735 488099139 /nfs/dbraw/zinc/09/91/39/488099139.db2.gz GICPTFAOQLQQNW-QWHCGFSZSA-N 1 3 225.380 1.202 10 0 BDAEHO CC(C)[C@H](C)[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000304507664 487508680 /nfs/dbraw/zinc/50/86/80/487508680.db2.gz DBWWZNDKKOHXQP-QWHCGFSZSA-N 1 3 225.380 1.010 10 0 BDAEHO CC(C)[C@H](C)[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000304507664 487508683 /nfs/dbraw/zinc/50/86/83/487508683.db2.gz DBWWZNDKKOHXQP-QWHCGFSZSA-N 1 3 225.380 1.010 10 0 BDAEHO c1ccc2c(c1)OCC[C@H]2CNC[C@@H]1CC[NH2+]C1 ZINC000398415493 488219214 /nfs/dbraw/zinc/21/92/14/488219214.db2.gz VUGBTLJFKKUUAJ-OLZOCXBDSA-N 1 3 246.354 1.752 10 0 BDAEHO [NH3+]C[C@H]1CNC[C@H](c2ccc(C=O)s2)C1 ZINC000757213025 582560410 /nfs/dbraw/zinc/56/04/10/582560410.db2.gz KSEURASCQFOBJR-DTWKUNHWSA-N 1 3 224.329 1.212 10 0 BDAEHO Nc1cccc([C@H]2CC[C@H](C[NH3+])NC2)c1 ZINC000757218549 582562960 /nfs/dbraw/zinc/56/29/60/582562960.db2.gz WABHZXWLJGDTIV-CMPLNLGQSA-N 1 3 205.305 1.063 10 0 BDAEHO C[C@H](NCCOCC1CC1)[C@H]1CC[NH2+]C1 ZINC000400334026 533858665 /nfs/dbraw/zinc/85/86/65/533858665.db2.gz CRFZARZAPOJJMJ-JQWIXIFHSA-N 1 3 212.337 1.001 10 0 BDAEHO C[C@H](NCCOCC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400356704 533860736 /nfs/dbraw/zinc/86/07/36/533860736.db2.gz OQHHQRDJEKZVKN-JSGCOSHPSA-N 1 3 240.391 1.781 10 0 BDAEHO C[C@H](NCCOc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400736787 533862724 /nfs/dbraw/zinc/86/27/24/533862724.db2.gz KCQIJEWOSPBMOP-QWHCGFSZSA-N 1 3 234.343 1.653 10 0 BDAEHO C[C@H](NCCc1cccc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000400513200 533873685 /nfs/dbraw/zinc/87/36/85/533873685.db2.gz MDLZHPVBTPMVDA-WCQYABFASA-N 1 3 236.334 1.956 10 0 BDAEHO CCC[C@H](CCO)CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400709312 528126130 /nfs/dbraw/zinc/12/61/30/528126130.db2.gz LVTCVQNOFFDDCP-XQQFMLRXSA-N 1 3 228.380 1.373 10 0 BDAEHO CC(C)SCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400586216 528320172 /nfs/dbraw/zinc/32/01/72/528320172.db2.gz SASLDCHZOGCYTQ-QWRGUYRKSA-N 1 3 216.394 1.716 10 0 BDAEHO CC(C)C[C@H](CN(C)C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400720588 528502469 /nfs/dbraw/zinc/50/24/69/528502469.db2.gz OGVDQHSTVGMRHD-BFHYXJOUSA-N 1 3 241.423 1.693 10 0 BDAEHO CCOCC(C)(C)CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400769756 528568972 /nfs/dbraw/zinc/56/89/72/528568972.db2.gz ZVNWEWPGOCYCNS-NWDGAFQWSA-N 1 3 228.380 1.637 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@@]12CN(C(C)(C)C)CC[C@H]2O ZINC000725245817 538003579 /nfs/dbraw/zinc/00/35/79/538003579.db2.gz MCCRZRVWRPRLMM-NQBHXWOUSA-N 1 3 226.364 1.077 10 0 BDAEHO CCN1CCC2(CC1)[NH2+][C@H](C1CC1)CCO2 ZINC000757139819 582520430 /nfs/dbraw/zinc/52/04/30/582520430.db2.gz IAUWTMNTSVWTJA-LBPRGKRZSA-N 1 3 224.348 1.587 10 0 BDAEHO C[C@@H]1CC(C)(C)O[C@]2(CCCN(C)CC2)[NH2+]1 ZINC000757153715 582538278 /nfs/dbraw/zinc/53/82/78/582538278.db2.gz WYTARFGGWJKATD-YPMHNXCESA-N 1 3 226.364 1.975 10 0 BDAEHO Nc1cccc([C@H]2CCN[C@H](C[NH3+])C2)c1 ZINC000757213363 582560896 /nfs/dbraw/zinc/56/08/96/582560896.db2.gz JRUBCPXZXHHPHJ-JQWIXIFHSA-N 1 3 205.305 1.063 10 0 BDAEHO CC(C)N1CCN([C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396718807 583089264 /nfs/dbraw/zinc/08/92/64/583089264.db2.gz PMGJPXKZHHFJKA-OLZOCXBDSA-N 1 3 225.380 1.153 10 0 BDAEHO CC(=O)c1ccc([C@H]2C[NH2+]C[C@@H](CN)C2)cc1 ZINC000757214173 586440472 /nfs/dbraw/zinc/44/04/72/586440472.db2.gz LNCOSNKVFZMPIU-BXUZGUMPSA-N 1 3 232.327 1.541 10 0 BDAEHO CC(=O)c1ccc([C@H]2CNC[C@@H](C[NH3+])C2)cc1 ZINC000757214173 586440473 /nfs/dbraw/zinc/44/04/73/586440473.db2.gz LNCOSNKVFZMPIU-BXUZGUMPSA-N 1 3 232.327 1.541 10 0 BDAEHO Nc1ccc(C2CC[NH2+]CC2)c2c1CNCC2 ZINC000757215846 586440604 /nfs/dbraw/zinc/44/06/04/586440604.db2.gz OFSHSNRUPDZFDK-UHFFFAOYSA-N 1 3 231.343 1.382 10 0 BDAEHO [NH3+]C[C@@H]1CCN[C@@H](c2ccc(C=O)s2)C1 ZINC000757218135 586441736 /nfs/dbraw/zinc/44/17/36/586441736.db2.gz UCXXZXRPNIWGCD-PSASIEDQSA-N 1 3 224.329 1.560 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1N[C@H](C)CC[C@H]1C[NH3+] ZINC000757238531 586444250 /nfs/dbraw/zinc/44/42/50/586444250.db2.gz SNBNPHHBLVWCQI-UHIISALHSA-N 1 3 233.359 1.965 10 0 BDAEHO Nc1ccnc(-c2cccc(C[NH3+])c2)c1N ZINC000757572373 586463041 /nfs/dbraw/zinc/46/30/41/586463041.db2.gz QSZMRZAVRQNJIS-UHFFFAOYSA-N 1 3 214.272 1.372 10 0 BDAEHO C[C@@H](CN[C@H]1CCC[NH2+]CC1)N1CCCCC1 ZINC000129161529 591266865 /nfs/dbraw/zinc/26/68/65/591266865.db2.gz CWAMDSHSKZRHIR-KBPBESRZSA-N 1 3 239.407 1.593 10 0 BDAEHO CC[NH2+]CC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000044651264 640447522 /nfs/dbraw/zinc/44/75/22/640447522.db2.gz FYGHONAIBIAFLI-CYBMUJFWSA-N 1 3 249.358 1.015 10 0 BDAEHO C[C@@H]1CN2CCCC[C@@H]2CN1C[C@H]1CCC[NH2+]1 ZINC000227650117 640844307 /nfs/dbraw/zinc/84/43/07/640844307.db2.gz GPMYQYDMYDTXTA-MGPQQGTHSA-N 1 3 237.391 1.297 10 0 BDAEHO CCN(C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666786 643363725 /nfs/dbraw/zinc/36/37/25/643363725.db2.gz HDJMCMXHXGGUQM-OLZOCXBDSA-N 1 3 226.364 1.629 10 0 BDAEHO OCc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)ccn1 ZINC000250255102 644749863 /nfs/dbraw/zinc/74/98/63/644749863.db2.gz SFYKAQVUWIQATA-AWEZNQCLSA-N 1 3 247.342 1.248 10 0 BDAEHO OCc1cc(N2CC[N@H+]3CCCC[C@H]3C2)ccn1 ZINC000250255102 644749865 /nfs/dbraw/zinc/74/98/65/644749865.db2.gz SFYKAQVUWIQATA-AWEZNQCLSA-N 1 3 247.342 1.248 10 0 BDAEHO CC[C@@H]([NH2+]C1CCNCC1)[C@H]1CCCOC1 ZINC000724009751 711555335 /nfs/dbraw/zinc/55/53/35/711555335.db2.gz NZAZDPZTOHLIHN-WCQYABFASA-N 1 3 226.364 1.533 10 0 BDAEHO COCC1CC([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000714004597 712477156 /nfs/dbraw/zinc/47/71/56/712477156.db2.gz DAQNDAJZPDFTDA-RUJICJSRSA-N 1 3 212.337 1.128 10 0 BDAEHO CN(C[C@@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]CC1 ZINC000708347537 712190287 /nfs/dbraw/zinc/19/02/87/712190287.db2.gz JCSZGUFZCCTWPG-STQMWFEESA-N 1 3 240.391 1.875 10 0 BDAEHO CCC1([NH+]2CCSCC2)CCNCC1 ZINC000685961524 538908649 /nfs/dbraw/zinc/90/86/49/538908649.db2.gz SNHBGRUAGAYJRB-UHFFFAOYSA-N 1 3 214.378 1.567 10 0 BDAEHO C[C@]1(C[NH2+][C@H]2CCCNCC2)CCOC1 ZINC000335034383 136214782 /nfs/dbraw/zinc/21/47/82/136214782.db2.gz QUPVPBHVJDPPHK-NWDGAFQWSA-N 1 3 212.337 1.145 10 0 BDAEHO Cc1cc(N(C)CCN(C)C)ccc1C[C@H](C)[NH3+] ZINC000104258448 178099080 /nfs/dbraw/zinc/09/90/80/178099080.db2.gz MKOPULMBTGMLII-ZDUSSCGKSA-N 1 3 249.402 1.883 10 0 BDAEHO CN(CCc1cn[nH]c1)[C@@H]1CCC[NH2+]CC1 ZINC000380960515 398215041 /nfs/dbraw/zinc/21/50/41/398215041.db2.gz APPHLLWUGQOCCD-GFCCVEGCSA-N 1 3 222.336 1.026 10 0 BDAEHO C[C@@](N)(C[N@@H+]1CCCSCC1)C1CC1 ZINC000042444960 361999900 /nfs/dbraw/zinc/99/99/00/361999900.db2.gz LIOJEZIJWWTSGM-LLVKDONJSA-N 1 3 214.378 1.553 10 0 BDAEHO C[C@@](N)(C[N@H+]1CCCSCC1)C1CC1 ZINC000042444960 361999908 /nfs/dbraw/zinc/99/99/08/361999908.db2.gz LIOJEZIJWWTSGM-LLVKDONJSA-N 1 3 214.378 1.553 10 0 BDAEHO C[C@H]([NH3+])CC(=O)Nc1ccc(CN(C)C)cc1 ZINC000037608555 398332469 /nfs/dbraw/zinc/33/24/69/398332469.db2.gz YTQFBGQFTFFIKT-JTQLQIEISA-N 1 3 235.331 1.424 10 0 BDAEHO Cc1cnn(CCN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000235954192 343067894 /nfs/dbraw/zinc/06/78/94/343067894.db2.gz KKMGCJJUNXJYNX-NEPJUHHUSA-N 1 3 222.336 1.051 10 0 BDAEHO COCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000562957101 323035055 /nfs/dbraw/zinc/03/50/55/323035055.db2.gz WEEHMXYAHDKGSJ-VXGBXAGGSA-N 1 3 228.380 1.637 10 0 BDAEHO CC(C)N1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000036190234 187258643 /nfs/dbraw/zinc/25/86/43/187258643.db2.gz ARKJZIVAFXFCPN-UHFFFAOYSA-N 1 3 239.407 1.674 10 0 BDAEHO CC(C)N1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC000036189994 187259194 /nfs/dbraw/zinc/25/91/94/187259194.db2.gz MXZVCEVMMAANCY-CQSZACIVSA-N 1 3 239.407 1.545 10 0 BDAEHO CC(C)[N@H+](CCCO)[C@@H]1C[C@H](C)CC[C@H]1CN ZINC000042498996 187265848 /nfs/dbraw/zinc/26/58/48/187265848.db2.gz LZKJVCCIPWTQKN-HZSPNIEDSA-N 1 3 242.407 1.843 10 0 BDAEHO CC(C)[N@@H+](CCCO)[C@@H]1C[C@H](C)CC[C@H]1CN ZINC000042498996 187265850 /nfs/dbraw/zinc/26/58/50/187265850.db2.gz LZKJVCCIPWTQKN-HZSPNIEDSA-N 1 3 242.407 1.843 10 0 BDAEHO C[C@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CCCNC1 ZINC000584107180 343597513 /nfs/dbraw/zinc/59/75/13/343597513.db2.gz NUCZNYLKHRGXMH-GXTWGEPZSA-N 1 3 248.370 1.912 10 0 BDAEHO C[C@H](NCCc1ccc(O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000584107180 343597514 /nfs/dbraw/zinc/59/75/14/343597514.db2.gz NUCZNYLKHRGXMH-GXTWGEPZSA-N 1 3 248.370 1.912 10 0 BDAEHO C[NH2+]Cc1ccc(N(C)[C@@H]2CCCN(C)C2)nc1 ZINC000053249083 187272528 /nfs/dbraw/zinc/27/25/28/187272528.db2.gz QEERCTSCJLBMMA-CYBMUJFWSA-N 1 3 248.374 1.331 10 0 BDAEHO [NH3+]CCCN1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409427990 343802541 /nfs/dbraw/zinc/80/25/41/343802541.db2.gz LNEXUDFHYZDEGV-ZJUUUORDSA-N 1 3 218.291 1.702 10 0 BDAEHO NCCC[N@H+]1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409427990 343802544 /nfs/dbraw/zinc/80/25/44/343802544.db2.gz LNEXUDFHYZDEGV-ZJUUUORDSA-N 1 3 218.291 1.702 10 0 BDAEHO NCCC[N@@H+]1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409427990 343802545 /nfs/dbraw/zinc/80/25/45/343802545.db2.gz LNEXUDFHYZDEGV-ZJUUUORDSA-N 1 3 218.291 1.702 10 0 BDAEHO CCOC[C@@H]1CCCC[N@@H+]1C1CCNCC1 ZINC000313284371 343791057 /nfs/dbraw/zinc/79/10/57/343791057.db2.gz FGCHTTMKOQIXHV-ZDUSSCGKSA-N 1 3 226.364 1.629 10 0 BDAEHO CCOC[C@@H]1CCCC[N@H+]1C1CCNCC1 ZINC000313284371 343791059 /nfs/dbraw/zinc/79/10/59/343791059.db2.gz FGCHTTMKOQIXHV-ZDUSSCGKSA-N 1 3 226.364 1.629 10 0 BDAEHO CCOC[C@@H]1CCCCN1C1CC[NH2+]CC1 ZINC000313284371 343791061 /nfs/dbraw/zinc/79/10/61/343791061.db2.gz FGCHTTMKOQIXHV-ZDUSSCGKSA-N 1 3 226.364 1.629 10 0 BDAEHO [NH3+]CCCN1C[C@@H]2CCC(F)(F)[C@H]2C1 ZINC000409433110 343826606 /nfs/dbraw/zinc/82/66/06/343826606.db2.gz XJCCDWVBOGRTHB-IUCAKERBSA-N 1 3 204.264 1.312 10 0 BDAEHO C1CC[C@H]2[C@@H](C1)COCC[N@@H+]2C1CCNCC1 ZINC000409435862 343840278 /nfs/dbraw/zinc/84/02/78/343840278.db2.gz WZNDWOSRBJCHED-JSGCOSHPSA-N 1 3 238.375 1.629 10 0 BDAEHO C1CC[C@H]2[C@@H](C1)COCC[N@H+]2C1CCNCC1 ZINC000409435862 343840281 /nfs/dbraw/zinc/84/02/81/343840281.db2.gz WZNDWOSRBJCHED-JSGCOSHPSA-N 1 3 238.375 1.629 10 0 BDAEHO C1CC[C@H]2[C@@H](C1)COCCN2C1CC[NH2+]CC1 ZINC000409435862 343840284 /nfs/dbraw/zinc/84/02/84/343840284.db2.gz WZNDWOSRBJCHED-JSGCOSHPSA-N 1 3 238.375 1.629 10 0 BDAEHO C[C@@H]1SCCN(CCC(C)(C)[NH3+])[C@H]1C ZINC000132465665 343929693 /nfs/dbraw/zinc/92/96/93/343929693.db2.gz XPKGBSJKBVHKTI-UWVGGRQHSA-N 1 3 216.394 1.940 10 0 BDAEHO CNC[C@H]1CC[N@@H+](C2CCSCC2)C1 ZINC000070798750 343955814 /nfs/dbraw/zinc/95/58/14/343955814.db2.gz PJJRKOUAINJPLD-SNVBAGLBSA-N 1 3 214.378 1.423 10 0 BDAEHO CNC[C@H]1CC[N@H+](C2CCSCC2)C1 ZINC000070798750 343955816 /nfs/dbraw/zinc/95/58/16/343955816.db2.gz PJJRKOUAINJPLD-SNVBAGLBSA-N 1 3 214.378 1.423 10 0 BDAEHO C[NH2+]C[C@H]1CCN(C2CCSCC2)C1 ZINC000070798750 343955818 /nfs/dbraw/zinc/95/58/18/343955818.db2.gz PJJRKOUAINJPLD-SNVBAGLBSA-N 1 3 214.378 1.423 10 0 BDAEHO CC(C)[C@@H]1C[N@@H+](C2CCN(C)CC2)CCN1 ZINC000083060502 187283550 /nfs/dbraw/zinc/28/35/50/187283550.db2.gz MGMCANUTXVMVAK-ZDUSSCGKSA-N 1 3 225.380 1.010 10 0 BDAEHO CC(C)[C@@H]1C[N@H+](C2CCN(C)CC2)CCN1 ZINC000083060502 187283551 /nfs/dbraw/zinc/28/35/51/187283551.db2.gz MGMCANUTXVMVAK-ZDUSSCGKSA-N 1 3 225.380 1.010 10 0 BDAEHO CC(C)[C@@H]1CN(C2CCN(C)CC2)CC[NH2+]1 ZINC000083060502 187283553 /nfs/dbraw/zinc/28/35/53/187283553.db2.gz MGMCANUTXVMVAK-ZDUSSCGKSA-N 1 3 225.380 1.010 10 0 BDAEHO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](N)C2)C1 ZINC000235165850 344832797 /nfs/dbraw/zinc/83/27/97/344832797.db2.gz RDKWSXCYWIIKCR-CHWFTXMASA-N 1 3 214.378 1.740 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000307214518 345240398 /nfs/dbraw/zinc/24/03/98/345240398.db2.gz RUUVAZTZMDLPIK-BBBLOLIVSA-N 1 3 214.378 1.740 10 0 BDAEHO C(N[C@H]1CCC[NH2+]CC1)[C@H]1CSCCS1 ZINC000229587218 187301430 /nfs/dbraw/zinc/30/14/30/187301430.db2.gz NCYIWJMVJRIQCW-QWRGUYRKSA-N 1 3 246.445 1.567 10 0 BDAEHO C([NH2+][C@H]1CCCNCC1)[C@H]1CSCCS1 ZINC000229587218 187301432 /nfs/dbraw/zinc/30/14/32/187301432.db2.gz NCYIWJMVJRIQCW-QWRGUYRKSA-N 1 3 246.445 1.567 10 0 BDAEHO Cc1ccc([C@@H](CN)N(C)CCC[NH+](C)C)o1 ZINC000104196896 178854499 /nfs/dbraw/zinc/85/44/99/178854499.db2.gz SNROYRFZRIEGMX-GFCCVEGCSA-N 1 3 239.363 1.471 10 0 BDAEHO [NH3+][C@H]1CC[C@H](NCC(=O)c2ccccn2)CC1 ZINC000257352168 345773749 /nfs/dbraw/zinc/77/37/49/345773749.db2.gz JPMHHLKOXLFJQE-XYPYZODXSA-N 1 3 233.315 1.124 10 0 BDAEHO CC(C)N(C)Cc1ccccc1C(N)=[NH2+] ZINC000019470373 187313673 /nfs/dbraw/zinc/31/36/73/187313673.db2.gz RBLKPRIGGRVWEZ-UHFFFAOYSA-N 1 3 205.305 1.811 10 0 BDAEHO CCC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000582073870 347175732 /nfs/dbraw/zinc/17/57/32/347175732.db2.gz SOWIOTJXZVIJHV-AGIUHOORSA-N 1 3 228.380 1.515 10 0 BDAEHO CCC[C@](C)(O)CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000582073870 347175734 /nfs/dbraw/zinc/17/57/34/347175734.db2.gz SOWIOTJXZVIJHV-AGIUHOORSA-N 1 3 228.380 1.515 10 0 BDAEHO N[C@H]1CCC[N@H+](C[C@H]2CCCS2)C1 ZINC000251415984 362872549 /nfs/dbraw/zinc/87/25/49/362872549.db2.gz RPZBZZXKFUFOES-VHSXEESVSA-N 1 3 200.351 1.305 10 0 BDAEHO N[C@H]1CCC[N@@H+](C[C@H]2CCCS2)C1 ZINC000251415984 362872557 /nfs/dbraw/zinc/87/25/57/362872557.db2.gz RPZBZZXKFUFOES-VHSXEESVSA-N 1 3 200.351 1.305 10 0 BDAEHO CC[C@@H]1CN([C@@H]2CCSC2)CC[C@H]1[NH3+] ZINC000251753006 362906190 /nfs/dbraw/zinc/90/61/90/362906190.db2.gz LLXDNUWGLUNJEG-GMTAPVOTSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@H]([NH2+]CC1CC=CC1)[C@H]1CCCNC1 ZINC000530215894 323216909 /nfs/dbraw/zinc/21/69/09/323216909.db2.gz KBHWSSGOBSKIAR-AAEUAGOBSA-N 1 3 208.349 1.930 10 0 BDAEHO Cc1nc(N2CCCN(C)CC2)sc1C[NH3+] ZINC000054968943 180002630 /nfs/dbraw/zinc/00/26/30/180002630.db2.gz BNMVEDGVTVUQIU-UHFFFAOYSA-N 1 3 240.376 1.052 10 0 BDAEHO CN(C1CC([NH3+])C1)[C@@H]1CCCSC1 ZINC000306744069 350932950 /nfs/dbraw/zinc/93/29/50/350932950.db2.gz HZZFRSVYWBVKKX-HWOCKDDLSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@H]1C[C@@H](NC(N)=[NH2+])CCN1Cc1ccccc1 ZINC000306830932 351145524 /nfs/dbraw/zinc/14/55/24/351145524.db2.gz LXXPHOVTEDRCFA-AAEUAGOBSA-N 1 3 246.358 1.523 10 0 BDAEHO C[C@@H]1C[C@H](N(C)C2CC([NH3+])C2)CS1 ZINC000306853347 351177028 /nfs/dbraw/zinc/17/70/28/351177028.db2.gz SYVQMYCJBYLBMU-WOOKNIGNSA-N 1 3 200.351 1.302 10 0 BDAEHO C[NH2+]C[C@@H]1CCN([C@@H]2CSC2(C)C)C1 ZINC000307147502 351500441 /nfs/dbraw/zinc/50/04/41/351500441.db2.gz IBIVVSRILBBTMQ-VHSXEESVSA-N 1 3 214.378 1.422 10 0 BDAEHO FC1(F)CC[C@H](NC[C@@H]2CC[NH2+]C2)C1 ZINC000307286738 351849860 /nfs/dbraw/zinc/84/98/60/351849860.db2.gz RWTRBGHJNHBQJO-BDAKNGLRSA-N 1 3 204.264 1.373 10 0 BDAEHO CO[C@@H](CC[NH3+])CN(C)Cc1ccccc1 ZINC000307490982 352621396 /nfs/dbraw/zinc/62/13/96/352621396.db2.gz GDRUQNSHAJTMFC-ZDUSSCGKSA-N 1 3 222.332 1.482 10 0 BDAEHO CC(C)N(C)Cc1ccc(C(N)=[NH2+])cc1F ZINC000019489238 187935095 /nfs/dbraw/zinc/93/50/95/187935095.db2.gz DGPHBBQUWYLTPN-UHFFFAOYSA-N 1 3 223.295 1.950 10 0 BDAEHO N[C@@H]1CCC[N@H+](C[C@@H]2CCCSC2)C1 ZINC000307703573 353046462 /nfs/dbraw/zinc/04/64/62/353046462.db2.gz VTVFSKMXNOBQQC-WDEREUQCSA-N 1 3 214.378 1.553 10 0 BDAEHO N[C@@H]1CCC[N@@H+](C[C@@H]2CCCSC2)C1 ZINC000307703573 353046463 /nfs/dbraw/zinc/04/64/63/353046463.db2.gz VTVFSKMXNOBQQC-WDEREUQCSA-N 1 3 214.378 1.553 10 0 BDAEHO C[C@H]([NH3+])c1ccccc1OCCN(C)C ZINC000022213531 188008843 /nfs/dbraw/zinc/00/88/43/188008843.db2.gz BHUSOUBUEUSSSY-JTQLQIEISA-N 1 3 208.305 1.647 10 0 BDAEHO CC1(C)[C@H]([NH3+])C[C@@H]1N[C@@H]1CCSC1 ZINC000405448342 353420108 /nfs/dbraw/zinc/42/01/08/353420108.db2.gz FYTAMQUTCDPNGN-HLTSFMKQSA-N 1 3 200.351 1.207 10 0 BDAEHO C[C@@H]1COC[C@@H](C)N1CCC1CC[NH2+]CC1 ZINC000334602936 354282691 /nfs/dbraw/zinc/28/26/91/354282691.db2.gz UFIHKPLMAZRZFS-VXGBXAGGSA-N 1 3 226.364 1.485 10 0 BDAEHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)(N)C2)CS1 ZINC000405791921 355295552 /nfs/dbraw/zinc/29/55/52/355295552.db2.gz LIVXMBNHOHICAI-KXUCPTDWSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1C[C@H]([N@H+]2CC[C@@](C)(N)C2)CS1 ZINC000405791921 355295553 /nfs/dbraw/zinc/29/55/53/355295553.db2.gz LIVXMBNHOHICAI-KXUCPTDWSA-N 1 3 200.351 1.304 10 0 BDAEHO NC(=[NH2+])c1ccccc1CN1CCCC1 ZINC000019430079 181196373 /nfs/dbraw/zinc/19/63/73/181196373.db2.gz DNACCIBFTDPRHR-UHFFFAOYSA-N 1 3 203.289 1.566 10 0 BDAEHO C[C@@H]1C[C@@H](C)CN(Cc2c(C[NH3+])cnn2C)C1 ZINC000675056919 538479399 /nfs/dbraw/zinc/47/93/99/538479399.db2.gz ZCPIPWXDXZFFRV-GHMZBOCLSA-N 1 3 236.363 1.357 10 0 BDAEHO [NH3+][C@H]1C=C(CCc2cccs2)CNC1 ZINC000675078197 538515103 /nfs/dbraw/zinc/51/51/03/538515103.db2.gz NJURCJJDJUIJGN-JTQLQIEISA-N 1 3 208.330 1.538 10 0 BDAEHO CO[C@@H]1CCC[C@@H](C2=C[C@H]([NH3+])CNC2)C1 ZINC000675079079 538517349 /nfs/dbraw/zinc/51/73/49/538517349.db2.gz VRYATGLTLPDFGY-ADEWGFFLSA-N 1 3 210.321 1.049 10 0 BDAEHO C[C@@H](NCCOCC1CC1)[C@H]1CCC[NH2+]C1 ZINC000583687485 357119592 /nfs/dbraw/zinc/11/95/92/357119592.db2.gz FVHLOAPFJHFTEH-YPMHNXCESA-N 1 3 226.364 1.391 10 0 BDAEHO C[C@@H]([NH2+]CCOCC1CC1)[C@H]1CCCNC1 ZINC000583687485 357119599 /nfs/dbraw/zinc/11/95/99/357119599.db2.gz FVHLOAPFJHFTEH-YPMHNXCESA-N 1 3 226.364 1.391 10 0 BDAEHO CC[C@@H]1CC[N@@H+](C2[C@H](C)CNC[C@H]2C)C1 ZINC000685950661 538893790 /nfs/dbraw/zinc/89/37/90/538893790.db2.gz DCYIYKIBEOSLNJ-IJLUTSLNSA-N 1 3 210.365 1.962 10 0 BDAEHO CC[C@@H]1CC[N@H+](C2[C@H](C)CNC[C@H]2C)C1 ZINC000685950661 538893791 /nfs/dbraw/zinc/89/37/91/538893791.db2.gz DCYIYKIBEOSLNJ-IJLUTSLNSA-N 1 3 210.365 1.962 10 0 BDAEHO CC[C@@H]1CC[N@@H+](C2[C@@H](C)CNC[C@@H]2C)C1 ZINC000685950663 538894070 /nfs/dbraw/zinc/89/40/70/538894070.db2.gz DCYIYKIBEOSLNJ-SDDRHHMPSA-N 1 3 210.365 1.962 10 0 BDAEHO CC[C@@H]1CC[N@H+](C2[C@@H](C)CNC[C@@H]2C)C1 ZINC000685950663 538894071 /nfs/dbraw/zinc/89/40/71/538894071.db2.gz DCYIYKIBEOSLNJ-SDDRHHMPSA-N 1 3 210.365 1.962 10 0 BDAEHO C[C@H]1CNC[C@H](C)C1[N@@H+]1CCCSCC1 ZINC000685950553 538894122 /nfs/dbraw/zinc/89/41/22/538894122.db2.gz BARYPZGQTZXZRA-QWRGUYRKSA-N 1 3 228.405 1.669 10 0 BDAEHO C[C@H]1CNC[C@H](C)C1[N@H+]1CCCSCC1 ZINC000685950553 538894123 /nfs/dbraw/zinc/89/41/23/538894123.db2.gz BARYPZGQTZXZRA-QWRGUYRKSA-N 1 3 228.405 1.669 10 0 BDAEHO CC[N@H+](CCOC)C1[C@@H](C)CNC[C@@H]1C ZINC000685951385 538894307 /nfs/dbraw/zinc/89/43/07/538894307.db2.gz RUUJPZCBIHAEGL-QWRGUYRKSA-N 1 3 214.353 1.199 10 0 BDAEHO CC[N@@H+](CCOC)C1[C@@H](C)CNC[C@@H]1C ZINC000685951385 538894309 /nfs/dbraw/zinc/89/43/09/538894309.db2.gz RUUJPZCBIHAEGL-QWRGUYRKSA-N 1 3 214.353 1.199 10 0 BDAEHO CCN(CCOC)C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685951385 538894310 /nfs/dbraw/zinc/89/43/10/538894310.db2.gz RUUJPZCBIHAEGL-QWRGUYRKSA-N 1 3 214.353 1.199 10 0 BDAEHO CC1CC[NH+](C2[C@H](C)CNC[C@H]2C)CC1 ZINC000685951755 538895487 /nfs/dbraw/zinc/89/54/87/538895487.db2.gz XKRHNIMQSSRHGJ-VXGBXAGGSA-N 1 3 210.365 1.962 10 0 BDAEHO C[C@H]([NH2+][C@H]1CCSC1)[C@H]1CCCNC1 ZINC000560943271 491130840 /nfs/dbraw/zinc/13/08/40/491130840.db2.gz JANAIXYJPGLAMA-DCAQKATOSA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@H](N[C@H]1CCSC1)[C@H]1CCC[NH2+]C1 ZINC000560943271 491130841 /nfs/dbraw/zinc/13/08/41/491130841.db2.gz JANAIXYJPGLAMA-DCAQKATOSA-N 1 3 214.378 1.470 10 0 BDAEHO [NH3+][C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000100914621 358429470 /nfs/dbraw/zinc/42/94/70/358429470.db2.gz AZKBNPLDOBTBBR-RDBSUJKOSA-N 1 3 216.328 1.856 10 0 BDAEHO C[C@@H]1SCC[C@H]1[N@@H+]1CCC[C@H](N)C1 ZINC000300352631 358971496 /nfs/dbraw/zinc/97/14/96/358971496.db2.gz NQUUWWUYQZIXLO-LPEHRKFASA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1SCC[C@H]1[N@H+]1CCC[C@H](N)C1 ZINC000300352631 358971500 /nfs/dbraw/zinc/97/15/00/358971500.db2.gz NQUUWWUYQZIXLO-LPEHRKFASA-N 1 3 200.351 1.304 10 0 BDAEHO CC(C)N(C)C[C@H]1COC(C)(C)[C@@H]1[NH3+] ZINC000306248676 359445740 /nfs/dbraw/zinc/44/57/40/359445740.db2.gz XQUAPWNUMWQDMK-VHSXEESVSA-N 1 3 200.326 1.079 10 0 BDAEHO C1C[C@@H](N[C@@H]2CCC[NH2+]CC2)CS1 ZINC000231347014 359859549 /nfs/dbraw/zinc/85/95/49/359859549.db2.gz LZWRIFCEMDEFLV-NXEZZACHSA-N 1 3 200.351 1.224 10 0 BDAEHO C1C[C@@H]([NH2+][C@@H]2CCCNCC2)CS1 ZINC000231347014 359859556 /nfs/dbraw/zinc/85/95/56/359859556.db2.gz LZWRIFCEMDEFLV-NXEZZACHSA-N 1 3 200.351 1.224 10 0 BDAEHO COC(C)(C)[C@@H](CN)[NH2+]Cc1ccccc1 ZINC000306545903 360414547 /nfs/dbraw/zinc/41/45/47/360414547.db2.gz WIJYMVHEMHUECR-GFCCVEGCSA-N 1 3 222.332 1.529 10 0 BDAEHO C[C@H](CCNCCO)[N@H+](C)Cc1ccccc1 ZINC000306584030 360483358 /nfs/dbraw/zinc/48/33/58/360483358.db2.gz FXNIQOJUKLXVBW-CYBMUJFWSA-N 1 3 236.359 1.479 10 0 BDAEHO C[C@H](CCNCCO)[N@@H+](C)Cc1ccccc1 ZINC000306584030 360483361 /nfs/dbraw/zinc/48/33/61/360483361.db2.gz FXNIQOJUKLXVBW-CYBMUJFWSA-N 1 3 236.359 1.479 10 0 BDAEHO CC[C@](C)([C@@H](C)N)[N@@H+]1CCSC[C@@H]1C ZINC000306602764 360529142 /nfs/dbraw/zinc/52/91/42/360529142.db2.gz WJHPXLCMENZPCW-HBNTYKKESA-N 1 3 216.394 1.940 10 0 BDAEHO CC[C@](C)([C@@H](C)N)[N@H+]1CCSC[C@@H]1C ZINC000306602764 360529145 /nfs/dbraw/zinc/52/91/45/360529145.db2.gz WJHPXLCMENZPCW-HBNTYKKESA-N 1 3 216.394 1.940 10 0 BDAEHO CSC1CC[NH+]([C@@H]2CCC[C@H]2N)CC1 ZINC000300838961 360532137 /nfs/dbraw/zinc/53/21/37/360532137.db2.gz LUVICCCHZDZAKD-GHMZBOCLSA-N 1 3 214.378 1.694 10 0 BDAEHO C[C@H]([NH2+]C[C@](C)(O)C1CC1)[C@H]1CCCNC1 ZINC000578979057 366683974 /nfs/dbraw/zinc/68/39/74/366683974.db2.gz LHVCJIRJOAHCRI-GVXVVHGQSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](NC[C@](C)(O)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000578979057 366683982 /nfs/dbraw/zinc/68/39/82/366683982.db2.gz LHVCJIRJOAHCRI-GVXVVHGQSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H]1C[NH+](C2CCNCC2)C[C@H](C)S1 ZINC000069908618 361015440 /nfs/dbraw/zinc/01/54/40/361015440.db2.gz ZOTHJAVNFDNSKK-UWVGGRQHSA-N 1 3 214.378 1.564 10 0 BDAEHO C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000629550542 361443067 /nfs/dbraw/zinc/44/30/67/361443067.db2.gz ZCDHDJWSMSSQET-ZBAXXZLZSA-N 1 3 224.348 1.142 10 0 BDAEHO C[C@H](CN(C)C)NC1=[NH+]C(C)(C)CS1 ZINC000130679349 364029312 /nfs/dbraw/zinc/02/93/12/364029312.db2.gz KZPVXDGUBCYOAO-MRVPVSSYSA-N 1 3 215.366 1.408 10 0 BDAEHO CO[C@H]1CN(CCC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630369877 364087703 /nfs/dbraw/zinc/08/77/03/364087703.db2.gz XGHBHAXXZSOAJS-CHWSQXEVSA-N 1 3 226.364 1.615 10 0 BDAEHO CO[C@@H]1CN(C[C@@H]2C[C@@H]2C)[C@](C)(C[NH3+])C1 ZINC000630370334 364088152 /nfs/dbraw/zinc/08/81/52/364088152.db2.gz ZGPPRPCOVIKDLK-BJDJZHNGSA-N 1 3 212.337 1.081 10 0 BDAEHO [NH3+]CC1(CN2CCCCC2)CCOCC1 ZINC000052180899 181359249 /nfs/dbraw/zinc/35/92/49/181359249.db2.gz SOMOXOWVVSFFHD-UHFFFAOYSA-N 1 3 212.337 1.228 10 0 BDAEHO [NH3+]CC1(CCN2CCOCC2)CCCCC1 ZINC000133722028 181359435 /nfs/dbraw/zinc/35/94/35/181359435.db2.gz KSUFPUNENYNOQE-UHFFFAOYSA-N 1 3 226.364 1.618 10 0 BDAEHO C[C@@H]1C[N@@H+]([C@H]2CCO[C@H]2C)C[C@@]1(C)CN ZINC000379828265 365284975 /nfs/dbraw/zinc/28/49/75/365284975.db2.gz YASSOEQZLVYTFM-NOOOWODRSA-N 1 3 212.337 1.081 10 0 BDAEHO C[C@@H]1C[N@H+]([C@H]2CCO[C@H]2C)C[C@@]1(C)CN ZINC000379828265 365284979 /nfs/dbraw/zinc/28/49/79/365284979.db2.gz YASSOEQZLVYTFM-NOOOWODRSA-N 1 3 212.337 1.081 10 0 BDAEHO CCC(CC)(CO)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000579941818 367092571 /nfs/dbraw/zinc/09/25/71/367092571.db2.gz APVVYNWWFCUZOI-CHWSQXEVSA-N 1 3 242.407 1.763 10 0 BDAEHO CCC(CC)(CO)CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000579941818 367092575 /nfs/dbraw/zinc/09/25/75/367092575.db2.gz APVVYNWWFCUZOI-CHWSQXEVSA-N 1 3 242.407 1.763 10 0 BDAEHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(O)c1 ZINC000383914914 367658403 /nfs/dbraw/zinc/65/84/03/367658403.db2.gz GDUYLLXNSBWQBX-AAEUAGOBSA-N 1 3 220.316 1.609 10 0 BDAEHO CC[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)OC ZINC000566004105 325982612 /nfs/dbraw/zinc/98/26/12/325982612.db2.gz QZZYNZAZLONXKP-IJLUTSLNSA-N 1 3 214.353 1.389 10 0 BDAEHO OC[C@@H]([NH2+][C@H]1CCCNCC1)C1CCCC1 ZINC000385975955 367893078 /nfs/dbraw/zinc/89/30/78/367893078.db2.gz HKALCONKCSKFIY-QWHCGFSZSA-N 1 3 226.364 1.269 10 0 BDAEHO OC[C@@H](N[C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000385975955 367893081 /nfs/dbraw/zinc/89/30/81/367893081.db2.gz HKALCONKCSKFIY-QWHCGFSZSA-N 1 3 226.364 1.269 10 0 BDAEHO COC(=O)C(C)(C)CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566666222 326072538 /nfs/dbraw/zinc/07/25/38/326072538.db2.gz ZGCRRJCWZLACGF-QWRGUYRKSA-N 1 3 242.363 1.163 10 0 BDAEHO COC(=O)C(C)(C)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000566666222 326072542 /nfs/dbraw/zinc/07/25/42/326072542.db2.gz ZGCRRJCWZLACGF-QWRGUYRKSA-N 1 3 242.363 1.163 10 0 BDAEHO CC(C)COCCN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838666 369120238 /nfs/dbraw/zinc/12/02/38/369120238.db2.gz SMWIZYVRIVSOGD-NWDGAFQWSA-N 1 3 214.353 1.186 10 0 BDAEHO C[C@@H](CO)CN(CCC[NH3+])Cc1ccccc1 ZINC000230030924 371638740 /nfs/dbraw/zinc/63/87/40/371638740.db2.gz RTSBJNNOTCUGRS-CYBMUJFWSA-N 1 3 236.359 1.466 10 0 BDAEHO C[C@H](C[NH3+])CN1C[C@@H](C)S[C@@H](C)C1 ZINC000226666451 371719192 /nfs/dbraw/zinc/71/91/92/371719192.db2.gz KMWLBKCETIWCFR-BBBLOLIVSA-N 1 3 202.367 1.407 10 0 BDAEHO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CN ZINC000631836983 372624385 /nfs/dbraw/zinc/62/43/85/372624385.db2.gz KXOMWVKWTPKPHC-LBELIVKGSA-N 1 3 208.349 1.559 10 0 BDAEHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CN ZINC000631836983 372624390 /nfs/dbraw/zinc/62/43/90/372624390.db2.gz KXOMWVKWTPKPHC-LBELIVKGSA-N 1 3 208.349 1.559 10 0 BDAEHO C[C@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1CN ZINC000631836600 372625549 /nfs/dbraw/zinc/62/55/49/372625549.db2.gz CJXHFGCPMNXMFA-CMPLNLGQSA-N 1 3 210.365 1.949 10 0 BDAEHO C[C@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1CN ZINC000631836600 372625555 /nfs/dbraw/zinc/62/55/55/372625555.db2.gz CJXHFGCPMNXMFA-CMPLNLGQSA-N 1 3 210.365 1.949 10 0 BDAEHO Cc1cc(C)n(CCN2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631837068 372627239 /nfs/dbraw/zinc/62/72/39/372627239.db2.gz MJSHGBRMLQLKPE-MFKMUULPSA-N 1 3 236.363 1.027 10 0 BDAEHO C[C@H]1C[N@H+](CCCCCF)C[C@H]1CN ZINC000631838485 372631664 /nfs/dbraw/zinc/63/16/64/372631664.db2.gz PFPMQWALAUBUAM-WDEREUQCSA-N 1 3 202.317 1.653 10 0 BDAEHO C[C@H]1C[N@@H+](CCCCCF)C[C@H]1CN ZINC000631838485 372631669 /nfs/dbraw/zinc/63/16/69/372631669.db2.gz PFPMQWALAUBUAM-WDEREUQCSA-N 1 3 202.317 1.653 10 0 BDAEHO O[C@H](CN[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128943690 183224935 /nfs/dbraw/zinc/22/49/35/183224935.db2.gz OFOYHEZLQGIHIM-ZIAGYGMSSA-N 1 3 234.343 1.452 10 0 BDAEHO CCCN1CCN(CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764208 169203134 /nfs/dbraw/zinc/20/31/34/169203134.db2.gz MTQJDXMHBSYGQJ-CQSZACIVSA-N 1 3 239.407 1.546 10 0 BDAEHO CCCN1CCN(C[C@@](C)(CC)C[NH2+]C)CC1 ZINC000051207548 169203274 /nfs/dbraw/zinc/20/32/74/169203274.db2.gz OMTWOSZXUKCQAZ-AWEZNQCLSA-N 1 3 241.423 1.650 10 0 BDAEHO CCCN1CCN([C@@H](C[NH3+])c2ccncc2)CC1 ZINC000044419040 169203662 /nfs/dbraw/zinc/20/36/62/169203662.db2.gz JKQNHXCTWLHSFM-AWEZNQCLSA-N 1 3 248.374 1.109 10 0 BDAEHO CCC[NH2+]CC(C)(C)CN1CCCN(C)CC1 ZINC000051213747 169255278 /nfs/dbraw/zinc/25/52/78/169255278.db2.gz MXJPDGQNKSOWQX-UHFFFAOYSA-N 1 3 241.423 1.650 10 0 BDAEHO CCC[NH2+]CCCOC1CCN(C)CC1 ZINC000052596589 169256538 /nfs/dbraw/zinc/25/65/38/169256538.db2.gz YKLWYCMOZGKZPQ-UHFFFAOYSA-N 1 3 214.353 1.487 10 0 BDAEHO CCC[NH2+]C[C@@]1(CN2CCCC2)CCCOC1 ZINC000104318684 169263670 /nfs/dbraw/zinc/26/36/70/169263670.db2.gz KPRXFGBWJVIGAW-CQSZACIVSA-N 1 3 240.391 1.879 10 0 BDAEHO CCC[NH2+]C[C@H]1CCN([C@@H]2CCCN(C)C2)C1 ZINC000053031553 169264650 /nfs/dbraw/zinc/26/46/50/169264650.db2.gz RWKNWISHXYYHHB-ZIAGYGMSSA-N 1 3 239.407 1.402 10 0 BDAEHO CCC[NH2+][C@@H](C)[C@@H]1CCCN(CCN(C)C)C1 ZINC000104421686 169275668 /nfs/dbraw/zinc/27/56/68/169275668.db2.gz OKECURDVGIMDIX-UONOGXRCSA-N 1 3 241.423 1.648 10 0 BDAEHO CCC[NH2+][C@@H](C)[C@@H](C)N1CCN(CCC)CC1 ZINC000043805681 169275958 /nfs/dbraw/zinc/27/59/58/169275958.db2.gz FRGOUORTRKZJSX-UONOGXRCSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+][C@@H](CC)CN1CCN(CC)[C@H](C)C1 ZINC000104135876 169277692 /nfs/dbraw/zinc/27/76/92/169277692.db2.gz MVHZJQQFHFZVBS-KGLIPLIRSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[C@@H](C)CN1CCN(C(C)(C)C[NH3+])CC1 ZINC000104059887 169358499 /nfs/dbraw/zinc/35/84/99/169358499.db2.gz IMMJHQRMVNQZTF-CYBMUJFWSA-N 1 3 241.423 1.778 10 0 BDAEHO C[NH+](C)CCn1cccc1[C@H](N)c1cccnc1 ZINC000011848788 384623257 /nfs/dbraw/zinc/62/32/57/384623257.db2.gz XBNULPZEUAQHDY-CQSZACIVSA-N 1 3 244.342 1.493 10 0 BDAEHO c1ccc([C@@H]2C[C@H]2CNC[C@H]2CC[NH2+]C2)cc1 ZINC000398286181 384888468 /nfs/dbraw/zinc/88/84/68/384888468.db2.gz IVPNYIAMZJLUAI-QEJZJMRPSA-N 1 3 230.355 1.989 10 0 BDAEHO FC(F)(F)OCCN[C@H]1CCC[NH2+]CC1 ZINC000398247382 384865566 /nfs/dbraw/zinc/86/55/66/384865566.db2.gz IXOADXLUYZEVMY-QMMMGPOBSA-N 1 3 226.242 1.255 10 0 BDAEHO C1CC[C@@]2(CCCN(C3CC[NH2+]CC3)C2)OC1 ZINC000409424401 385332142 /nfs/dbraw/zinc/33/21/42/385332142.db2.gz BUALZMLIPDRIDM-AWEZNQCLSA-N 1 3 238.375 1.774 10 0 BDAEHO C1CC[C@@]2(CCC[N@@H+](C3CCNCC3)C2)OC1 ZINC000409424401 385332145 /nfs/dbraw/zinc/33/21/45/385332145.db2.gz BUALZMLIPDRIDM-AWEZNQCLSA-N 1 3 238.375 1.774 10 0 BDAEHO C1CC[C@@]2(CCC[N@H+](C3CCNCC3)C2)OC1 ZINC000409424401 385332150 /nfs/dbraw/zinc/33/21/50/385332150.db2.gz BUALZMLIPDRIDM-AWEZNQCLSA-N 1 3 238.375 1.774 10 0 BDAEHO Cc1csc(CCN[C@H]2CCC[NH2+]CC2)n1 ZINC000168750291 385386099 /nfs/dbraw/zinc/38/60/99/385386099.db2.gz RFTWNUIKVDOKJD-NSHDSACASA-N 1 3 239.388 1.726 10 0 BDAEHO C[C@@H]1C[C@]2(CCN1C)[NH2+]C(C)(C)CS2 ZINC000156990611 385479814 /nfs/dbraw/zinc/47/98/14/385479814.db2.gz MVMGRQSXKKYAPO-MWLCHTKSSA-N 1 3 214.378 1.912 10 0 BDAEHO CC[C@H](CN[C@H]1CCC[NH2+]CC1)OC ZINC000308492672 386426582 /nfs/dbraw/zinc/42/65/82/386426582.db2.gz AKGOWLSFBBVFMC-WDEREUQCSA-N 1 3 200.326 1.143 10 0 BDAEHO C[C@H](NC[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]C1 ZINC000519693568 386529282 /nfs/dbraw/zinc/52/92/82/386529282.db2.gz QUFFYZURDRWWOJ-XQQFMLRXSA-N 1 3 226.364 1.533 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000307587566 386740425 /nfs/dbraw/zinc/74/04/25/386740425.db2.gz UNPIRRPEEONHLY-HLTSFMKQSA-N 1 3 200.351 1.350 10 0 BDAEHO N[C@H](CCCC[NH3+])c1cccc2c1OCO2 ZINC000575439439 387123416 /nfs/dbraw/zinc/12/34/16/387123416.db2.gz LGIRKJXMJPIZCL-SNVBAGLBSA-N 1 3 222.288 1.544 10 0 BDAEHO COc1cc([C@@H]([NH3+])CCC[NH3+])cc(Cl)c1[O-] ZINC000575438306 387129776 /nfs/dbraw/zinc/12/97/76/387129776.db2.gz IIYHFGQDBHUKQH-VIFPVBQESA-N 1 3 244.722 1.793 10 0 BDAEHO C[C@@H]1C[C@@H]([NH3+])CN1C[C@@H]1CCSC1 ZINC000575588314 387183918 /nfs/dbraw/zinc/18/39/18/387183918.db2.gz AJDDXYGNDHXMGQ-KXUCPTDWSA-N 1 3 200.351 1.161 10 0 BDAEHO COc1cc(F)ccc1[C@@H](N)CCCC[NH3+] ZINC000575440471 387135193 /nfs/dbraw/zinc/13/51/93/387135193.db2.gz XIIQQAHVNJUQTN-NSHDSACASA-N 1 3 226.295 1.963 10 0 BDAEHO CC1C[NH+]([C@]2(CN)CS[C@H](C)C2)C1 ZINC000575494422 387278142 /nfs/dbraw/zinc/27/81/42/387278142.db2.gz RLYJZYNNDZYXLC-NXEZZACHSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@H]([NH2+]CCCOC(F)F)[C@H]1CCCNC1 ZINC000643488130 387361192 /nfs/dbraw/zinc/36/11/92/387361192.db2.gz HJHQVTCGPWTYSL-UWVGGRQHSA-N 1 3 236.306 1.593 10 0 BDAEHO [NH3+][C@@H]1CCC[C@H]1CN1CCSCC1 ZINC000053864450 387517366 /nfs/dbraw/zinc/51/73/66/387517366.db2.gz BRGSVQIQYYJGBQ-VHSXEESVSA-N 1 3 200.351 1.163 10 0 BDAEHO CC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000643472667 387484048 /nfs/dbraw/zinc/48/40/48/387484048.db2.gz TXNMMCAGAVSNQP-WOPDTQHZSA-N 1 3 214.353 1.125 10 0 BDAEHO CC[C@](C)(O)CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643472667 387484052 /nfs/dbraw/zinc/48/40/52/387484052.db2.gz TXNMMCAGAVSNQP-WOPDTQHZSA-N 1 3 214.353 1.125 10 0 BDAEHO C[C@H](COCc1ccccc1)N[C@H](C)C1C[NH2+]C1 ZINC000422795535 387695873 /nfs/dbraw/zinc/69/58/73/387695873.db2.gz VWZYBBOFKNPUQY-CHWSQXEVSA-N 1 3 248.370 1.789 10 0 BDAEHO C[C@H](COCc1ccccc1)[NH2+][C@H](C)C1CNC1 ZINC000422795535 387695879 /nfs/dbraw/zinc/69/58/79/387695879.db2.gz VWZYBBOFKNPUQY-CHWSQXEVSA-N 1 3 248.370 1.789 10 0 BDAEHO CCN1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422743032 387689077 /nfs/dbraw/zinc/68/90/77/387689077.db2.gz STODBIXONWTGDV-WJLOJVBCSA-N 1 3 237.391 1.343 10 0 BDAEHO OCC[C@H]([NH2+]C1CCNCC1)C1CCCCC1 ZINC000423001238 387804788 /nfs/dbraw/zinc/80/47/88/387804788.db2.gz DIGWMRNZYQICNC-AWEZNQCLSA-N 1 3 240.391 1.659 10 0 BDAEHO C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@@H]1CCCNC1 ZINC000643459713 387849575 /nfs/dbraw/zinc/84/95/75/387849575.db2.gz USYGYBLMEVSLLE-XQQFMLRXSA-N 1 3 226.364 1.533 10 0 BDAEHO CO[C@@H]1C[C@H](N[C@H]2CCC[NH2+]CC2)C12CCC2 ZINC000423171305 387957993 /nfs/dbraw/zinc/95/79/93/387957993.db2.gz OBAQOIRKXZPSQC-RWMBFGLXSA-N 1 3 238.375 1.676 10 0 BDAEHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCCNCC2)C12CCC2 ZINC000423171305 387957998 /nfs/dbraw/zinc/95/79/98/387957998.db2.gz OBAQOIRKXZPSQC-RWMBFGLXSA-N 1 3 238.375 1.676 10 0 BDAEHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000423215443 387998250 /nfs/dbraw/zinc/99/82/50/387998250.db2.gz NWCNTHXOSBNGDE-SYBDTXHTSA-N 1 3 208.349 1.904 10 0 BDAEHO C[C@H](NCCc1ccccc1F)[C@@H]1CC[NH2+]C1 ZINC000400535252 388012069 /nfs/dbraw/zinc/01/20/69/388012069.db2.gz SYAAGUOTFTUITH-WCQYABFASA-N 1 3 236.334 1.956 10 0 BDAEHO NC1CC([NH2+][C@@H]2CCCSCC2)C1 ZINC000575519087 388356172 /nfs/dbraw/zinc/35/61/72/388356172.db2.gz ZVBSIZKSABESJT-HWOCKDDLSA-N 1 3 200.351 1.351 10 0 BDAEHO [NH3+]C1CC(N[C@@H]2CCCSCC2)C1 ZINC000575519087 388356174 /nfs/dbraw/zinc/35/61/74/388356174.db2.gz ZVBSIZKSABESJT-HWOCKDDLSA-N 1 3 200.351 1.351 10 0 BDAEHO CCC[C@@H](CN[C@@H]1CCC[NH2+]CC1)OCC ZINC000530212326 388627584 /nfs/dbraw/zinc/62/75/84/388627584.db2.gz QGRYOFIJJHLIGE-OLZOCXBDSA-N 1 3 228.380 1.923 10 0 BDAEHO [NH3+][C@@H]1CO[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000575471504 388850505 /nfs/dbraw/zinc/85/05/05/388850505.db2.gz AJNRCPPSJUFWFV-LSDHHAIUSA-N 1 3 246.354 1.769 10 0 BDAEHO C[C@@H](NCCOC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000400432963 533397735 /nfs/dbraw/zinc/39/77/35/533397735.db2.gz LSPAABRXRKLFRU-HTQZYQBOSA-N 1 3 226.242 1.110 10 0 BDAEHO C[C@@H](NCCOC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400515085 533398343 /nfs/dbraw/zinc/39/83/43/533398343.db2.gz KGTBDKLFZVKRSR-VXGBXAGGSA-N 1 3 226.364 1.533 10 0 BDAEHO C[C@@H](NCCc1ccco1)[C@H]1CC[NH2+]C1 ZINC000400702045 533404989 /nfs/dbraw/zinc/40/49/89/533404989.db2.gz KFOCMDOFALTUPW-MNOVXSKESA-N 1 3 208.305 1.410 10 0 BDAEHO COc1ccc(CCN[C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400332652 533501062 /nfs/dbraw/zinc/50/10/62/533501062.db2.gz FERAYDFBSGGPIR-TZMCWYRMSA-N 1 3 248.370 1.825 10 0 BDAEHO C[C@@H](N[C@H]1CSC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000306966885 533548348 /nfs/dbraw/zinc/54/83/48/533548348.db2.gz MCRFFJDVKQIGQN-DBIOUOCHSA-N 1 3 214.378 1.326 10 0 BDAEHO CCCN1CCN(c2ncccc2C[NH3+])CC1 ZINC000022214524 132332725 /nfs/dbraw/zinc/33/27/25/132332725.db2.gz MPDSSNJZSZVSAS-UHFFFAOYSA-N 1 3 234.347 1.072 10 0 BDAEHO C[NH2+]C[C@@H]1CCCN(c2ccncc2)C1 ZINC000040602172 132348145 /nfs/dbraw/zinc/34/81/45/132348145.db2.gz NJJJSYJXDWMQJD-NSHDSACASA-N 1 3 205.305 1.517 10 0 BDAEHO CC[C@@H](C)CN1CCN(c2cc[nH+]cc2N)CC1 ZINC000050425207 132358906 /nfs/dbraw/zinc/35/89/06/132358906.db2.gz VFGINMNZGIYJII-GFCCVEGCSA-N 1 3 248.374 1.832 10 0 BDAEHO C[NH2+]Cc1cccc(N2CCN(C(C)C)CC2)n1 ZINC000051446047 132361260 /nfs/dbraw/zinc/36/12/60/132361260.db2.gz NRPSBGLHPHRAPC-UHFFFAOYSA-N 1 3 248.374 1.331 10 0 BDAEHO C[C@@H]1CC[C@H](C[NH3+])CN1c1ccncc1 ZINC000053704323 132363246 /nfs/dbraw/zinc/36/32/46/132363246.db2.gz FIMGAULHRMOBKA-GHMZBOCLSA-N 1 3 205.305 1.645 10 0 BDAEHO CC(C)[C@H](CCO)[NH2+]CCCN1CCCC1 ZINC000227012568 134373512 /nfs/dbraw/zinc/37/35/12/134373512.db2.gz QCFROPILPPOYCF-ZDUSSCGKSA-N 1 3 228.380 1.469 10 0 BDAEHO CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000251736286 135077111 /nfs/dbraw/zinc/07/71/11/135077111.db2.gz FYDBLLLSVHWVDL-QJPTWQEYSA-N 1 3 243.395 1.206 10 0 BDAEHO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000261599024 135237423 /nfs/dbraw/zinc/23/74/23/135237423.db2.gz ZRXLDCMZQYVEOU-AVGNSLFASA-N 1 3 226.364 1.269 10 0 BDAEHO C[C@@H]([NH3+])CC(=O)NCc1ccc(CN(C)C)cc1 ZINC000261662651 135243835 /nfs/dbraw/zinc/24/38/35/135243835.db2.gz ABQFCKXANUERQK-LLVKDONJSA-N 1 3 249.358 1.102 10 0 BDAEHO C[C@H](NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H](C)c1ccccc1 ZINC000263261332 135343306 /nfs/dbraw/zinc/34/33/06/135343306.db2.gz QXWUINBXPYMCDK-PAPYEOQZSA-N 1 3 248.370 1.349 10 0 BDAEHO C[C@@H]1OCC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000348185635 136044564 /nfs/dbraw/zinc/04/45/64/136044564.db2.gz BWICRPDCUDVSFF-SRVKXCTJSA-N 1 3 212.337 1.238 10 0 BDAEHO C[C@@H]1OCC[C@@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000348185635 136044565 /nfs/dbraw/zinc/04/45/65/136044565.db2.gz BWICRPDCUDVSFF-SRVKXCTJSA-N 1 3 212.337 1.238 10 0 BDAEHO C[C@@H]1OCC[C@@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000348185635 136044566 /nfs/dbraw/zinc/04/45/66/136044566.db2.gz BWICRPDCUDVSFF-SRVKXCTJSA-N 1 3 212.337 1.238 10 0 BDAEHO C[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000348185634 136044760 /nfs/dbraw/zinc/04/47/60/136044760.db2.gz BWICRPDCUDVSFF-SDDRHHMPSA-N 1 3 212.337 1.238 10 0 BDAEHO C[C@@H]1OCC[C@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000348185634 136044761 /nfs/dbraw/zinc/04/47/61/136044761.db2.gz BWICRPDCUDVSFF-SDDRHHMPSA-N 1 3 212.337 1.238 10 0 BDAEHO C[C@@H]1OCC[C@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000348185634 136044762 /nfs/dbraw/zinc/04/47/62/136044762.db2.gz BWICRPDCUDVSFF-SDDRHHMPSA-N 1 3 212.337 1.238 10 0 BDAEHO C[C@H]1C[C@@H]([NH3+])CN1[C@H]1CCS[C@H]1C ZINC000575592405 397991029 /nfs/dbraw/zinc/99/10/29/397991029.db2.gz RLPISWKGEPOMSZ-QEYWKRMJSA-N 1 3 200.351 1.302 10 0 BDAEHO C[C@H]([NH3+])CC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000040809201 410894104 /nfs/dbraw/zinc/89/41/04/410894104.db2.gz WAYNNTYYIRGAJX-AAEUAGOBSA-N 1 3 249.358 1.143 10 0 BDAEHO CC(C)C[NH2+]CCCCN1CCN(C)[C@H](C)C1 ZINC000104132400 167003662 /nfs/dbraw/zinc/00/36/62/167003662.db2.gz WZXNHWZXDWPDQU-CQSZACIVSA-N 1 3 241.423 1.648 10 0 BDAEHO CC(C)C[NH2+]CC[C@H](C)N1CCN(C)[C@@H](C)C1 ZINC000104137341 167005198 /nfs/dbraw/zinc/00/51/98/167005198.db2.gz SDOQRCJYQMPGAU-KBPBESRZSA-N 1 3 241.423 1.647 10 0 BDAEHO CC(C)[NH2+]CCN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000127729308 167106160 /nfs/dbraw/zinc/10/61/60/167106160.db2.gz YXBQBUFCQYTAGQ-RYUDHWBXSA-N 1 3 213.369 1.009 10 0 BDAEHO CC(C)[NH2+]C[C@H](C)N1CCCN(C)CC1 ZINC000052424089 167112895 /nfs/dbraw/zinc/11/28/95/167112895.db2.gz ZXYXCOBFEXEGIW-LBPRGKRZSA-N 1 3 213.369 1.010 10 0 BDAEHO COCC1(CN[C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000656199907 411204004 /nfs/dbraw/zinc/20/40/04/411204004.db2.gz GJGLZJHTIXKAOR-MNOVXSKESA-N 1 3 212.337 1.001 10 0 BDAEHO NCC[N@@H+]1CCC[C@H](c2ccc(N)nc2)CC1 ZINC000616628647 411287312 /nfs/dbraw/zinc/28/73/12/411287312.db2.gz OWIUZHDGCWRRRJ-NSHDSACASA-N 1 3 234.347 1.192 10 0 BDAEHO NCC[N@H+]1CCC[C@H](c2ccc(N)nc2)CC1 ZINC000616628647 411287315 /nfs/dbraw/zinc/28/73/15/411287315.db2.gz OWIUZHDGCWRRRJ-NSHDSACASA-N 1 3 234.347 1.192 10 0 BDAEHO C[C@H](N[C@@H]1CCS[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000307274833 411469440 /nfs/dbraw/zinc/46/94/40/411469440.db2.gz OVFNDRAZWCQRKY-LNFKQOIKSA-N 1 3 214.378 1.468 10 0 BDAEHO CCN1CC[C@@H](C[NH2+]CCCn2ccnc2)C1 ZINC000049327985 170007669 /nfs/dbraw/zinc/00/76/69/170007669.db2.gz OUQUVEQPWYXYHK-ZDUSSCGKSA-N 1 3 236.363 1.205 10 0 BDAEHO CC[N@@H+]1CC[C@@H](CNc2ccncc2)C1 ZINC000037484460 170009794 /nfs/dbraw/zinc/00/97/94/170009794.db2.gz WALQZMUINKBDNS-NSHDSACASA-N 1 3 205.305 1.835 10 0 BDAEHO CC[N@H+]1CC[C@@H](CNc2ccncc2)C1 ZINC000037484460 170009795 /nfs/dbraw/zinc/00/97/95/170009795.db2.gz WALQZMUINKBDNS-NSHDSACASA-N 1 3 205.305 1.835 10 0 BDAEHO CCN1CC[C@H](C[NH2+]CCn2ccnc2C)C1 ZINC000049330179 170015794 /nfs/dbraw/zinc/01/57/94/170015794.db2.gz DLVDKBDZMWSVJV-CYBMUJFWSA-N 1 3 236.363 1.123 10 0 BDAEHO CC[N@@H+]1CC[C@H](CNCCn2ccnc2C)C1 ZINC000049330179 170015795 /nfs/dbraw/zinc/01/57/95/170015795.db2.gz DLVDKBDZMWSVJV-CYBMUJFWSA-N 1 3 236.363 1.123 10 0 BDAEHO CC[N@H+]1CC[C@H](CNCCn2ccnc2C)C1 ZINC000049330179 170015796 /nfs/dbraw/zinc/01/57/96/170015796.db2.gz DLVDKBDZMWSVJV-CYBMUJFWSA-N 1 3 236.363 1.123 10 0 BDAEHO CC[NH2+]CCc1nc(CCN(CC)CC)no1 ZINC000051784383 170117822 /nfs/dbraw/zinc/11/78/22/170117822.db2.gz SQRUZQAHDCDCRQ-UHFFFAOYSA-N 1 3 240.351 1.106 10 0 BDAEHO CC[NH2+]C[C@@H]1CCN(C2CCOCC2)C1 ZINC000053031284 170120019 /nfs/dbraw/zinc/12/00/19/170120019.db2.gz CFBJVFNBPHUQQR-NSHDSACASA-N 1 3 212.337 1.097 10 0 BDAEHO CC[NH2+][C@@H]1CCC[C@H]1CN1CCCN(C)CC1 ZINC000053863879 170151183 /nfs/dbraw/zinc/15/11/83/170151183.db2.gz LZTIQRWRVUESEI-UONOGXRCSA-N 1 3 239.407 1.402 10 0 BDAEHO CC[NH2+][C@@H]1CCN(C2CCN(C)CC2)C[C@@H]1C ZINC000049710860 170152133 /nfs/dbraw/zinc/15/21/33/170152133.db2.gz DLKZEZVRCBSNFZ-GXTWGEPZSA-N 1 3 239.407 1.401 10 0 BDAEHO CC[NH2+][C@H]1CCN(C2CCN(C)CC2)C[C@@H]1C ZINC000049710863 170166385 /nfs/dbraw/zinc/16/63/85/170166385.db2.gz DLKZEZVRCBSNFZ-JSGCOSHPSA-N 1 3 239.407 1.401 10 0 BDAEHO CCOC(=O)[C@@H](C)CNCCC[NH+]1CCCC1 ZINC000062072601 170246159 /nfs/dbraw/zinc/24/61/59/170246159.db2.gz RDYDYDCWQMUVIJ-LBPRGKRZSA-N 1 3 242.363 1.261 10 0 BDAEHO CCOC(=O)[C@@H](C)C[NH2+]CCCN1CCCC1 ZINC000062072601 170246161 /nfs/dbraw/zinc/24/61/61/170246161.db2.gz RDYDYDCWQMUVIJ-LBPRGKRZSA-N 1 3 242.363 1.261 10 0 BDAEHO CCOC1CC[NH+]([C@@H]2CCC[C@@H]2CN)CC1 ZINC000040678527 170333026 /nfs/dbraw/zinc/33/30/26/170333026.db2.gz IPIBOGPMRXLMMQ-DGCLKSJQSA-N 1 3 226.364 1.615 10 0 BDAEHO CCOC1CCN([C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000040678527 170333029 /nfs/dbraw/zinc/33/30/29/170333029.db2.gz IPIBOGPMRXLMMQ-DGCLKSJQSA-N 1 3 226.364 1.615 10 0 BDAEHO CC[C@@H]1CC[N@H+](C[C@@H]2CCOC2)CC[C@H](C)N1 ZINC000061148139 171010774 /nfs/dbraw/zinc/01/07/74/171010774.db2.gz UXIYICVDMPGQNV-MELADBBJSA-N 1 3 240.391 1.875 10 0 BDAEHO CC[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)CC[C@H](C)N1 ZINC000061148139 171010776 /nfs/dbraw/zinc/01/07/76/171010776.db2.gz UXIYICVDMPGQNV-MELADBBJSA-N 1 3 240.391 1.875 10 0 BDAEHO CC[C@@H]1CCN(C[C@@H]2CCOC2)CC[C@H](C)[NH2+]1 ZINC000061148139 171010777 /nfs/dbraw/zinc/01/07/77/171010777.db2.gz UXIYICVDMPGQNV-MELADBBJSA-N 1 3 240.391 1.875 10 0 BDAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@@H+]2CCC[C@H](O)C2)C1 ZINC000036128402 171055412 /nfs/dbraw/zinc/05/54/12/171055412.db2.gz PPVWSCQXESKCAN-YIYPIFLZSA-N 1 3 240.391 1.597 10 0 BDAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@H+]2CCC[C@H](O)C2)C1 ZINC000036128402 171055416 /nfs/dbraw/zinc/05/54/16/171055416.db2.gz PPVWSCQXESKCAN-YIYPIFLZSA-N 1 3 240.391 1.597 10 0 BDAEHO CC[C@@H]1COCCN1CC1CCC([NH3+])CC1 ZINC000037482509 171106146 /nfs/dbraw/zinc/10/61/46/171106146.db2.gz UPLBNJFEQZZIHR-WXRRBKDZSA-N 1 3 226.364 1.615 10 0 BDAEHO CC[C@@H]1COCCN1C1CCC([NH3+])CC1 ZINC000055144394 171107028 /nfs/dbraw/zinc/10/70/28/171107028.db2.gz YKTUUTDLBJMSCW-MOENNCHZSA-N 1 3 212.337 1.367 10 0 BDAEHO CC[C@@](C)(C[NH3+])CN1CCN(CC2CC2)CC1 ZINC000051285855 171166495 /nfs/dbraw/zinc/16/64/95/171166495.db2.gz SFFLIRJLSONSCH-AWEZNQCLSA-N 1 3 239.407 1.389 10 0 BDAEHO CC[C@H](C)N1CCN([C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055065355 171319477 /nfs/dbraw/zinc/31/94/77/171319477.db2.gz VREDHVDEEULBQZ-IHRRRGAJSA-N 1 3 239.407 1.672 10 0 BDAEHO CC[C@H](C)[NH2+]C[C@H](C)N1CCN(CC)[C@H](C)C1 ZINC000104136227 171341670 /nfs/dbraw/zinc/34/16/70/171341670.db2.gz GUHZONHIUUYLHR-MELADBBJSA-N 1 3 241.423 1.789 10 0 BDAEHO CC[C@H](C)[C@@H](CN)[N@H+](C)C1CCN(CC)CC1 ZINC000042615580 171369067 /nfs/dbraw/zinc/36/90/67/171369067.db2.gz AOGMBRYACZLKNP-GXTWGEPZSA-N 1 3 241.423 1.776 10 0 BDAEHO CC[C@H](C)[C@@H](CN)[N@@H+](C)C1CCN(CC)CC1 ZINC000042615580 171369068 /nfs/dbraw/zinc/36/90/68/171369068.db2.gz AOGMBRYACZLKNP-GXTWGEPZSA-N 1 3 241.423 1.776 10 0 BDAEHO CC[C@H](C)[C@H](C[NH3+])N1CCN([C@@H](C)CC)CC1 ZINC000055064299 171392187 /nfs/dbraw/zinc/39/21/87/171392187.db2.gz KRIZAIQDGLXTLP-IHRRRGAJSA-N 1 3 241.423 1.776 10 0 BDAEHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000049220375 171395868 /nfs/dbraw/zinc/39/58/68/171395868.db2.gz DSVMDWNROXGCHB-SRVKXCTJSA-N 1 3 243.395 1.062 10 0 BDAEHO c1cc(CCN[C@@H]2CCC[NH2+]CC2)co1 ZINC000665261833 412203803 /nfs/dbraw/zinc/20/38/03/412203803.db2.gz MNRJXEFUWCRIMS-GFCCVEGCSA-N 1 3 208.305 1.554 10 0 BDAEHO C[C@@]1(CN[C@@H]2CCC[NH2+]CC2)CC1(F)F ZINC000665265011 412208436 /nfs/dbraw/zinc/20/84/36/412208436.db2.gz NTZTWAUQVOVTJO-ZJUUUORDSA-N 1 3 218.291 1.763 10 0 BDAEHO C[C@@]1(C[NH2+][C@@H]2CCCNCC2)CC1(F)F ZINC000665265011 412208440 /nfs/dbraw/zinc/20/84/40/412208440.db2.gz NTZTWAUQVOVTJO-ZJUUUORDSA-N 1 3 218.291 1.763 10 0 BDAEHO CCC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623405 412246418 /nfs/dbraw/zinc/24/64/18/412246418.db2.gz XRVDLKJHCYOAEI-GHMZBOCLSA-N 1 3 241.379 1.103 10 0 BDAEHO CCC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623405 412246421 /nfs/dbraw/zinc/24/64/21/412246421.db2.gz XRVDLKJHCYOAEI-GHMZBOCLSA-N 1 3 241.379 1.103 10 0 BDAEHO CN1CCCC[C@H]1CNc1cc(N)cc[nH+]1 ZINC000044563511 173010113 /nfs/dbraw/zinc/01/01/13/173010113.db2.gz ROJQRRWBUWKPJW-NSHDSACASA-N 1 3 220.320 1.560 10 0 BDAEHO CN1CCCN(c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000020217625 173016668 /nfs/dbraw/zinc/01/66/68/173016668.db2.gz UUMYCBSJLJFTSM-UHFFFAOYSA-N 1 3 232.331 1.113 10 0 BDAEHO CN1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000037484575 173147628 /nfs/dbraw/zinc/14/76/28/173147628.db2.gz LWBFILVCHPBCRX-GFCCVEGCSA-N 1 3 222.307 1.867 10 0 BDAEHO C[NH2+]CCC1CN(Cc2ccccc2)C1 ZINC000095075968 173343243 /nfs/dbraw/zinc/34/32/43/173343243.db2.gz DKBRFAHNFPIVMU-UHFFFAOYSA-N 1 3 204.317 1.728 10 0 BDAEHO CNCc1ccc(OC)cc1OCC[NH+](C)C ZINC000019777057 173389213 /nfs/dbraw/zinc/38/92/13/173389213.db2.gz IGNWOQRMEPXKAJ-UHFFFAOYSA-N 1 3 238.331 1.355 10 0 BDAEHO CNCc1cccnc1N(C)CCC[NH+](C)C ZINC000104198350 173390793 /nfs/dbraw/zinc/39/07/93/173390793.db2.gz NJCPXLZUVZYEBM-UHFFFAOYSA-N 1 3 236.363 1.189 10 0 BDAEHO COCC[N@H+](C)[C@@H]1CCCCC[C@@H]1N ZINC000048924458 174282331 /nfs/dbraw/zinc/28/23/31/174282331.db2.gz OLMYVWJIYSUOLN-WDEREUQCSA-N 1 3 200.326 1.225 10 0 BDAEHO COCC[N@@H+](C)[C@@H]1CCCCC[C@@H]1N ZINC000048924458 174282332 /nfs/dbraw/zinc/28/23/32/174282332.db2.gz OLMYVWJIYSUOLN-WDEREUQCSA-N 1 3 200.326 1.225 10 0 BDAEHO COCC[N@H+](C1CC1)[C@@H]1C[C@H](C)CC[C@H]1CN ZINC000042517608 174285637 /nfs/dbraw/zinc/28/56/37/174285637.db2.gz WYMOZTQVCJPNFN-MBNYWOFBSA-N 1 3 240.391 1.861 10 0 BDAEHO COCC[N@@H+](C1CC1)[C@@H]1C[C@H](C)CC[C@H]1CN ZINC000042517608 174285638 /nfs/dbraw/zinc/28/56/38/174285638.db2.gz WYMOZTQVCJPNFN-MBNYWOFBSA-N 1 3 240.391 1.861 10 0 BDAEHO COCCN(C1CC1)[C@@H]1C[C@H](C)CC[C@H]1C[NH3+] ZINC000042517608 174285639 /nfs/dbraw/zinc/28/56/39/174285639.db2.gz WYMOZTQVCJPNFN-MBNYWOFBSA-N 1 3 240.391 1.861 10 0 BDAEHO COc1ccc(CN(C)C[C@@H](C)C[NH3+])cc1 ZINC000042441456 175095771 /nfs/dbraw/zinc/09/57/71/175095771.db2.gz FIXAPPGPLDARJJ-NSHDSACASA-N 1 3 222.332 1.722 10 0 BDAEHO COc1ccc([C@@H](CN)C[NH+](C)C)cc1OC ZINC000041280532 175178657 /nfs/dbraw/zinc/17/86/57/175178657.db2.gz YODPJNBLJBMRDY-NSHDSACASA-N 1 3 238.331 1.308 10 0 BDAEHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)C(C)(C)O ZINC000564823378 322931407 /nfs/dbraw/zinc/93/14/07/322931407.db2.gz OWFHKBLJBACOTL-WOPDTQHZSA-N 1 3 228.380 1.514 10 0 BDAEHO C[C@@H]1CCCC[C@]1(CN)[NH+]1CCN(C)CC1 ZINC000019435309 176090317 /nfs/dbraw/zinc/09/03/17/176090317.db2.gz FAZWFZCWQAGAJL-CHWSQXEVSA-N 1 3 225.380 1.141 10 0 BDAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CCCn1ccnc1 ZINC000042427521 176202613 /nfs/dbraw/zinc/20/26/13/176202613.db2.gz NSKIDNQVPWKJAO-OLZOCXBDSA-N 1 3 236.363 1.332 10 0 BDAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CCCn1ccnc1 ZINC000042427521 176202614 /nfs/dbraw/zinc/20/26/14/176202614.db2.gz NSKIDNQVPWKJAO-OLZOCXBDSA-N 1 3 236.363 1.332 10 0 BDAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1CCCn1ccnc1 ZINC000042427521 176202615 /nfs/dbraw/zinc/20/26/15/176202615.db2.gz NSKIDNQVPWKJAO-OLZOCXBDSA-N 1 3 236.363 1.332 10 0 BDAEHO C[C@@H]1C[C@@H](C)CC[N@@H+]1CCN1CCNCC1 ZINC000051732090 177159768 /nfs/dbraw/zinc/15/97/68/177159768.db2.gz JYJZSNLPKNKMBP-QWHCGFSZSA-N 1 3 225.380 1.012 10 0 BDAEHO C[C@@H]1C[C@@H](C)CC[N@H+]1CCN1CCNCC1 ZINC000051732090 177159770 /nfs/dbraw/zinc/15/97/70/177159770.db2.gz JYJZSNLPKNKMBP-QWHCGFSZSA-N 1 3 225.380 1.012 10 0 BDAEHO C[C@H]1CN(Cc2ccc(C(N)=[NH2+])cc2)CCN1C ZINC000104135927 177262503 /nfs/dbraw/zinc/26/25/03/177262503.db2.gz YTWYTDQXOQKDHM-NSHDSACASA-N 1 3 246.358 1.107 10 0 BDAEHO C[C@H](NC[C@H]1CCCS1)[C@H]1CC[NH2+]C1 ZINC000400572025 224837736 /nfs/dbraw/zinc/83/77/36/224837736.db2.gz NYEYRNNRSLKPRV-GARJFASQSA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@H](N[C@H](CO)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400334857 226341162 /nfs/dbraw/zinc/34/11/62/226341162.db2.gz FQWSERZPJKDPBH-CFVMTHIKSA-N 1 3 248.370 1.178 10 0 BDAEHO C[C@H](N[C@@H]1COc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000400509979 226345194 /nfs/dbraw/zinc/34/51/94/226345194.db2.gz LGSWYHXZDPBWRU-UBHSHLNASA-N 1 3 246.354 1.578 10 0 BDAEHO OCC1([NH2+]C[C@H]2CCCNC2)CCCCC1 ZINC000087647108 487673408 /nfs/dbraw/zinc/67/34/08/487673408.db2.gz OWQMNZUEJMZFLV-LBPRGKRZSA-N 1 3 226.364 1.271 10 0 BDAEHO OCC1(NC[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000087647108 487673412 /nfs/dbraw/zinc/67/34/12/487673412.db2.gz OWQMNZUEJMZFLV-LBPRGKRZSA-N 1 3 226.364 1.271 10 0 BDAEHO CC(C)(C)[C@@H](O)CN[C@@H]1CCC[NH2+]CC1 ZINC000324619846 262792745 /nfs/dbraw/zinc/79/27/45/262792745.db2.gz PLDOJZMXNANDOL-MNOVXSKESA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCCNCC1 ZINC000324619846 262792746 /nfs/dbraw/zinc/79/27/46/262792746.db2.gz PLDOJZMXNANDOL-MNOVXSKESA-N 1 3 214.353 1.125 10 0 BDAEHO CCCN(CCN(C)C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136447383 487736141 /nfs/dbraw/zinc/73/61/41/487736141.db2.gz BQDJQVJLWMLBGC-GFCCVEGCSA-N 1 3 243.395 1.160 10 0 BDAEHO COCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000666774679 487878587 /nfs/dbraw/zinc/87/85/87/487878587.db2.gz RHBSJFQIIJULFY-SDDRHHMPSA-N 1 3 214.353 1.389 10 0 BDAEHO c1cc2cnccc2c(CNC[C@H]2CC[NH2+]C2)c1 ZINC000666845624 487889168 /nfs/dbraw/zinc/88/91/68/487889168.db2.gz ZTFZGENNXLOTHP-LBPRGKRZSA-N 1 3 241.338 1.934 10 0 BDAEHO C[C@H](CO)CCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000562959453 323035308 /nfs/dbraw/zinc/03/53/08/323035308.db2.gz QFKGYGCSPYZGQY-RWMBFGLXSA-N 1 3 228.380 1.373 10 0 BDAEHO CSC[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000570153604 323051646 /nfs/dbraw/zinc/05/16/46/323051646.db2.gz NBXBMIJNXUNIBC-AXFHLTTASA-N 1 3 216.394 1.716 10 0 BDAEHO CSC[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000570153604 323051647 /nfs/dbraw/zinc/05/16/47/323051647.db2.gz NBXBMIJNXUNIBC-AXFHLTTASA-N 1 3 216.394 1.716 10 0 BDAEHO CCN(CC)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566089603 325992903 /nfs/dbraw/zinc/99/29/03/325992903.db2.gz VOOCMBUFWYKNQI-OLZOCXBDSA-N 1 3 227.396 1.306 10 0 BDAEHO Cc1cccnc1CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566732278 326077347 /nfs/dbraw/zinc/07/73/47/326077347.db2.gz VNQYILXNIAQYGF-KBPBESRZSA-N 1 3 247.386 1.910 10 0 BDAEHO Cc1cccnc1CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566732280 326077362 /nfs/dbraw/zinc/07/73/62/326077362.db2.gz VNQYILXNIAQYGF-UONOGXRCSA-N 1 3 247.386 1.910 10 0 BDAEHO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCNC1 ZINC000569228114 326396127 /nfs/dbraw/zinc/39/61/27/326396127.db2.gz DOPXBHVXYHATOM-DGAVXFQQSA-N 1 3 240.391 1.515 10 0 BDAEHO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)[C@H]1CCCNC1 ZINC000569228113 326396343 /nfs/dbraw/zinc/39/63/43/326396343.db2.gz DOPXBHVXYHATOM-CRWXNKLISA-N 1 3 240.391 1.515 10 0 BDAEHO c1ccc2c(c1)C[C@@H]2CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090978324 491130313 /nfs/dbraw/zinc/13/03/13/491130313.db2.gz GUXLWIUWISZRMI-MGPQQGTHSA-N 1 3 228.339 1.478 10 0 BDAEHO C[C@@H]1C[C@H]1[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757124145 582499149 /nfs/dbraw/zinc/49/91/49/582499149.db2.gz BYFROMSCBQYATD-LOWDOPEQSA-N 1 3 208.349 1.859 10 0 BDAEHO C[C@@H]1C[C@H]1[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757124145 582499150 /nfs/dbraw/zinc/49/91/50/582499150.db2.gz BYFROMSCBQYATD-LOWDOPEQSA-N 1 3 208.349 1.859 10 0 BDAEHO C[C@@H]1[NH2+]CCC[C@]12CCCN2CCN(C)C ZINC000757134176 582510711 /nfs/dbraw/zinc/51/07/11/582510711.db2.gz WLUJOXCGSLKXBQ-STQMWFEESA-N 1 3 225.380 1.155 10 0 BDAEHO C(C[NH2+]C1CCNCC1)COCC1CC1 ZINC000038040762 518391133 /nfs/dbraw/zinc/39/11/33/518391133.db2.gz AZNHIKWNBIIAOW-UHFFFAOYSA-N 1 3 212.337 1.145 10 0 BDAEHO C(CNC1CC[NH2+]CC1)COCC1CC1 ZINC000038040762 518391146 /nfs/dbraw/zinc/39/11/46/518391146.db2.gz AZNHIKWNBIIAOW-UHFFFAOYSA-N 1 3 212.337 1.145 10 0 BDAEHO CC(C)CCOCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400743780 527759839 /nfs/dbraw/zinc/75/98/39/527759839.db2.gz UENXTLCWNRQVFC-STQMWFEESA-N 1 3 228.380 1.637 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000306708198 527821162 /nfs/dbraw/zinc/82/11/62/527821162.db2.gz SNDIWFIHFNNRCZ-AEJSXWLSSA-N 1 3 214.378 1.597 10 0 BDAEHO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CN ZINC000306708198 527821167 /nfs/dbraw/zinc/82/11/67/527821167.db2.gz SNDIWFIHFNNRCZ-AEJSXWLSSA-N 1 3 214.378 1.597 10 0 BDAEHO CCCN1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000022167227 534931267 /nfs/dbraw/zinc/93/12/67/534931267.db2.gz JZJVIBHRNHYYQL-UHFFFAOYSA-N 1 3 234.347 1.072 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@]12CN(C(C)(C)C)CC[C@@H]2O ZINC000725245742 538002510 /nfs/dbraw/zinc/00/25/10/538002510.db2.gz MCCRZRVWRPRLMM-MDZLAQPJSA-N 1 3 226.364 1.077 10 0 BDAEHO CN1CCC2(CC1)[NH2+][C@@H]1CCCC[C@H]1CO2 ZINC000757138594 582517898 /nfs/dbraw/zinc/51/78/98/582517898.db2.gz CPIOTGKNFWAKIH-NWDGAFQWSA-N 1 3 224.348 1.587 10 0 BDAEHO CC[C@@]1(C)CCO[C@@]2(CCC[N@H+](C)CC2)N1 ZINC000757146332 582529891 /nfs/dbraw/zinc/52/98/91/582529891.db2.gz KOOCTDPSEOUFND-QWHCGFSZSA-N 1 3 226.364 1.977 10 0 BDAEHO CC[C@@]1(C)CCO[C@@]2(CCC[N@@H+](C)CC2)N1 ZINC000757146332 582529893 /nfs/dbraw/zinc/52/98/93/582529893.db2.gz KOOCTDPSEOUFND-QWHCGFSZSA-N 1 3 226.364 1.977 10 0 BDAEHO CC[C@@]1(C)CCO[C@@]2(CCCN(C)CC2)[NH2+]1 ZINC000757146332 582529894 /nfs/dbraw/zinc/52/98/94/582529894.db2.gz KOOCTDPSEOUFND-QWHCGFSZSA-N 1 3 226.364 1.977 10 0 BDAEHO CCN1CCC2(CC1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757151270 582535724 /nfs/dbraw/zinc/53/57/24/582535724.db2.gz QFUWGHHHXQBJDE-LBPRGKRZSA-N 1 3 224.348 1.587 10 0 BDAEHO [NH3+][C@@H]1CCNC[C@@H]1c1cccc2cc[nH]c21 ZINC000757209035 582560065 /nfs/dbraw/zinc/56/00/65/582560065.db2.gz CZGFNQGGFRBQCS-VXGBXAGGSA-N 1 3 215.300 1.572 10 0 BDAEHO CCN1CCC2(CC1)[NH2+]C[C@H]1CCC[C@H]1O2 ZINC000757138728 586427415 /nfs/dbraw/zinc/42/74/15/586427415.db2.gz DFDXIDWDRACKCA-VXGBXAGGSA-N 1 3 224.348 1.587 10 0 BDAEHO [NH3+][C@@H]1CC[C@H]2CN(C[C@@H](O)c3ccccc3)C[C@H]12 ZINC000313607617 634498551 /nfs/dbraw/zinc/49/85/51/634498551.db2.gz HAYKUDNVFPCCQY-BYNSBNAKSA-N 1 3 246.354 1.389 10 0 BDAEHO C[C@H](Cc1ccco1)N[C@H]1CCC[NH2+]CC1 ZINC000168724293 633148160 /nfs/dbraw/zinc/14/81/60/633148160.db2.gz VRQIYKNWEUTVKI-NEPJUHHUSA-N 1 3 222.332 1.942 10 0 BDAEHO C[C@@H](Cc1ccco1)N[C@H]1CCC[NH2+]CC1 ZINC000168724197 633148362 /nfs/dbraw/zinc/14/83/62/633148362.db2.gz VRQIYKNWEUTVKI-RYUDHWBXSA-N 1 3 222.332 1.942 10 0 BDAEHO CC(C)[C@H](C)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328567158 633777410 /nfs/dbraw/zinc/77/74/10/633777410.db2.gz NNMXLVFFNFDIQX-RJRAAQABSA-N 1 3 208.349 1.617 10 0 BDAEHO CCN1CCC[C@@H](NC(=O)CCCCC[NH3+])C1 ZINC000040503548 633816782 /nfs/dbraw/zinc/81/67/82/633816782.db2.gz NJEVRKFDAFLMTC-GFCCVEGCSA-N 1 3 241.379 1.106 10 0 BDAEHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCO1 ZINC000063195914 641146579 /nfs/dbraw/zinc/14/65/79/641146579.db2.gz SKQHSJQDLMYKCU-SRVKXCTJSA-N 1 3 212.337 1.367 10 0 BDAEHO C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@@H]1CCCO1 ZINC000063195914 641146587 /nfs/dbraw/zinc/14/65/87/641146587.db2.gz SKQHSJQDLMYKCU-SRVKXCTJSA-N 1 3 212.337 1.367 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1NCCC[C@H]1C[NH3+] ZINC000757236365 643374267 /nfs/dbraw/zinc/37/42/67/643374267.db2.gz OJKAUUDKDVIIHE-GXFFZTMASA-N 1 3 219.332 1.577 10 0 BDAEHO COC[C@H](C[N@@H+]1C[C@H](C)[C@H](CN)C1)C(C)C ZINC000721921368 711937098 /nfs/dbraw/zinc/93/70/98/711937098.db2.gz RGOWCOIMAHQSJI-XQQFMLRXSA-N 1 3 228.380 1.432 10 0 BDAEHO COC[C@H](C[N@H+]1C[C@H](C)[C@H](CN)C1)C(C)C ZINC000721921368 711937101 /nfs/dbraw/zinc/93/71/01/711937101.db2.gz RGOWCOIMAHQSJI-XQQFMLRXSA-N 1 3 228.380 1.432 10 0 BDAEHO COCC1CC(N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000713976395 712475328 /nfs/dbraw/zinc/47/53/28/712475328.db2.gz FJQPJWPNDMHTTK-YYJSSNLHSA-N 1 3 212.337 1.142 10 0 BDAEHO [NH3+][C@@H]1CC[C@H]2CN(CCc3ccns3)C[C@@H]12 ZINC000719833990 712824194 /nfs/dbraw/zinc/82/41/94/712824194.db2.gz UPPTZLDTZFQZHU-MVWJERBFSA-N 1 3 237.372 1.355 10 0 BDAEHO C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[C@H](C2CC2)O1 ZINC000722316858 711735217 /nfs/dbraw/zinc/73/52/17/711735217.db2.gz UXSXKJJUCIBWFP-HZSPNIEDSA-N 1 3 238.375 1.676 10 0 BDAEHO NC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000712437951 712429647 /nfs/dbraw/zinc/42/96/47/712429647.db2.gz MASLIUIWJNKMAR-RYUDHWBXSA-N 1 3 224.348 1.511 10 0 BDAEHO NC[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000712437951 712429648 /nfs/dbraw/zinc/42/96/48/712429648.db2.gz MASLIUIWJNKMAR-RYUDHWBXSA-N 1 3 224.348 1.511 10 0 BDAEHO COCC1CC([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000713930045 712473854 /nfs/dbraw/zinc/47/38/54/712473854.db2.gz ZDEBDNPSONXBKF-KPFVRQRISA-N 1 3 226.364 1.519 10 0 BDAEHO CCC1([NH3+])CCN([C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000714752964 712497249 /nfs/dbraw/zinc/49/72/49/712497249.db2.gz GKRXJSHOUNHGAW-GRYCIOLGSA-N 1 3 226.364 1.756 10 0 BDAEHO [NH3+][C@H]1C[C@H](CNc2ccnc3ccccc32)C1 ZINC000715082070 712507308 /nfs/dbraw/zinc/50/73/08/712507308.db2.gz NRILAEBZYIJWLG-XYPYZODXSA-N 1 3 227.311 1.806 10 0 BDAEHO C[C@H](NC[C@@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]C1 ZINC000717628231 712661954 /nfs/dbraw/zinc/66/19/54/712661954.db2.gz VOQYHJXSPGKDSN-XQQFMLRXSA-N 1 3 240.391 1.779 10 0 BDAEHO CC(C)C1([NH+]2CCSCC2)CCNCC1 ZINC000685961860 538909230 /nfs/dbraw/zinc/90/92/30/538909230.db2.gz WZUBNDFISCSFOG-UHFFFAOYSA-N 1 3 228.405 1.813 10 0 BDAEHO CC(C)C1(N2CCSCC2)CC[NH2+]CC1 ZINC000685961860 538909231 /nfs/dbraw/zinc/90/92/31/538909231.db2.gz WZUBNDFISCSFOG-UHFFFAOYSA-N 1 3 228.405 1.813 10 0 BDAEHO Cc1cc(C[NH2+]C[C@@H]2CCN(C)C2)c(C)n1C ZINC000052790274 178022208 /nfs/dbraw/zinc/02/22/08/178022208.db2.gz HAPBVKNWQSUSOD-ZDUSSCGKSA-N 1 3 235.375 1.683 10 0 BDAEHO Cc1cc(CNC[C@@H]2CC[N@H+](C)C2)c(C)n1C ZINC000052790274 178022209 /nfs/dbraw/zinc/02/22/09/178022209.db2.gz HAPBVKNWQSUSOD-ZDUSSCGKSA-N 1 3 235.375 1.683 10 0 BDAEHO Cc1cc(CNC[C@@H]2CC[N@@H+](C)C2)c(C)n1C ZINC000052790274 178022211 /nfs/dbraw/zinc/02/22/11/178022211.db2.gz HAPBVKNWQSUSOD-ZDUSSCGKSA-N 1 3 235.375 1.683 10 0 BDAEHO Cc1cc(C)n(CCN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000386772763 398219845 /nfs/dbraw/zinc/21/98/45/398219845.db2.gz KSQWGZLAIZVLTE-MJBXVCDLSA-N 1 3 248.374 1.169 10 0 BDAEHO CC[C@H](CSC)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400560181 529415643 /nfs/dbraw/zinc/41/56/43/529415643.db2.gz LCHOTQOPZJQUMP-GMTAPVOTSA-N 1 3 216.394 1.716 10 0 BDAEHO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@@H](O)CN ZINC000033506767 343256229 /nfs/dbraw/zinc/25/62/29/343256229.db2.gz QBYBTRGJFDHZKL-ZDUSSCGKSA-N 1 3 236.359 1.607 10 0 BDAEHO CC(C)(C)[N@H+](Cc1ccccc1)C[C@@H](O)CN ZINC000033506767 343256231 /nfs/dbraw/zinc/25/62/31/343256231.db2.gz QBYBTRGJFDHZKL-ZDUSSCGKSA-N 1 3 236.359 1.607 10 0 BDAEHO CC(C)(C)N(Cc1ccccc1)C[C@@H](O)C[NH3+] ZINC000033506767 343256234 /nfs/dbraw/zinc/25/62/34/343256234.db2.gz QBYBTRGJFDHZKL-ZDUSSCGKSA-N 1 3 236.359 1.607 10 0 BDAEHO CCN(CC)CCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000037490798 343347291 /nfs/dbraw/zinc/34/72/91/343347291.db2.gz ZZXWSZRBGXEZCD-CHWSQXEVSA-N 1 3 228.380 1.611 10 0 BDAEHO CC[NH+](CC)CCCN[C@@H]1CCCC[C@H]1O ZINC000037490798 343347294 /nfs/dbraw/zinc/34/72/94/343347294.db2.gz ZZXWSZRBGXEZCD-CHWSQXEVSA-N 1 3 228.380 1.611 10 0 BDAEHO CC(C)N1CCN([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000036170681 187258674 /nfs/dbraw/zinc/25/86/74/187258674.db2.gz LWDRUUBBZUOPTQ-HNNXBMFYSA-N 1 3 247.386 1.712 10 0 BDAEHO CC(C)N1CCN([C@@](C)(C[NH3+])C(C)C)CC1 ZINC000041053667 187264565 /nfs/dbraw/zinc/26/45/65/187264565.db2.gz BHUSQPHNFKXXJT-ZDUSSCGKSA-N 1 3 227.396 1.386 10 0 BDAEHO COc1ccc(CC[N@@H+]2CCNC[C@H](C)C2)cc1 ZINC000049660990 187270292 /nfs/dbraw/zinc/27/02/92/187270292.db2.gz GSIGOGLHJDZEAA-ZDUSSCGKSA-N 1 3 248.370 1.779 10 0 BDAEHO COc1ccc(CC[N@H+]2CCNC[C@H](C)C2)cc1 ZINC000049660990 187270294 /nfs/dbraw/zinc/27/02/94/187270294.db2.gz GSIGOGLHJDZEAA-ZDUSSCGKSA-N 1 3 248.370 1.779 10 0 BDAEHO CC(C)C[C@H](C)[N@H+](C)CCn1cc(CN)nn1 ZINC000052571947 187271310 /nfs/dbraw/zinc/27/13/10/187271310.db2.gz RODOYEDMYWMPJT-NSHDSACASA-N 1 3 239.367 1.103 10 0 BDAEHO CC(C)C[C@H](C)[N@@H+](C)CCn1cc(CN)nn1 ZINC000052571947 187271312 /nfs/dbraw/zinc/27/13/12/187271312.db2.gz RODOYEDMYWMPJT-NSHDSACASA-N 1 3 239.367 1.103 10 0 BDAEHO [NH3+]CCCN1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409427987 343802686 /nfs/dbraw/zinc/80/26/86/343802686.db2.gz LNEXUDFHYZDEGV-NXEZZACHSA-N 1 3 218.291 1.702 10 0 BDAEHO NCCC[N@@H+]1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409427987 343802688 /nfs/dbraw/zinc/80/26/88/343802688.db2.gz LNEXUDFHYZDEGV-NXEZZACHSA-N 1 3 218.291 1.702 10 0 BDAEHO NCCC[N@H+]1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409427987 343802689 /nfs/dbraw/zinc/80/26/89/343802689.db2.gz LNEXUDFHYZDEGV-NXEZZACHSA-N 1 3 218.291 1.702 10 0 BDAEHO CCN([C@H]1CCSC1)C1CC[NH2+]CC1 ZINC000405378566 343812121 /nfs/dbraw/zinc/81/21/21/343812121.db2.gz IKOALGKEPAGNQD-NSHDSACASA-N 1 3 214.378 1.566 10 0 BDAEHO CC(C)N1CCO[C@H](C2CC[NH2+]CC2)C1 ZINC000409431856 343822876 /nfs/dbraw/zinc/82/28/76/343822876.db2.gz LMBHRXWIOLQLCK-LBPRGKRZSA-N 1 3 212.337 1.095 10 0 BDAEHO CCOC[C@@H]1CC[N@@H+](C2CCNCC2)C1 ZINC000409433995 343831026 /nfs/dbraw/zinc/83/10/26/343831026.db2.gz ZMEWGMSQRYSZFW-LLVKDONJSA-N 1 3 212.337 1.097 10 0 BDAEHO CCOC[C@@H]1CC[N@H+](C2CCNCC2)C1 ZINC000409433995 343831027 /nfs/dbraw/zinc/83/10/27/343831027.db2.gz ZMEWGMSQRYSZFW-LLVKDONJSA-N 1 3 212.337 1.097 10 0 BDAEHO CCOC[C@@H]1CCN(C2CC[NH2+]CC2)C1 ZINC000409433995 343831028 /nfs/dbraw/zinc/83/10/28/343831028.db2.gz ZMEWGMSQRYSZFW-LLVKDONJSA-N 1 3 212.337 1.097 10 0 BDAEHO O[C@@H]1CC[N@@H+](C2CCNCC2)C[C@@H]1CC1CC1 ZINC000409435751 343839978 /nfs/dbraw/zinc/83/99/78/343839978.db2.gz WJVHUMGURGNWTL-GXTWGEPZSA-N 1 3 238.375 1.221 10 0 BDAEHO O[C@@H]1CC[N@H+](C2CCNCC2)C[C@@H]1CC1CC1 ZINC000409435751 343839979 /nfs/dbraw/zinc/83/99/79/343839979.db2.gz WJVHUMGURGNWTL-GXTWGEPZSA-N 1 3 238.375 1.221 10 0 BDAEHO O[C@@H]1CCN(C2CC[NH2+]CC2)C[C@@H]1CC1CC1 ZINC000409435751 343839981 /nfs/dbraw/zinc/83/99/81/343839981.db2.gz WJVHUMGURGNWTL-GXTWGEPZSA-N 1 3 238.375 1.221 10 0 BDAEHO C1CNCC[NH2+]CCCSCCSC1 ZINC000139801234 187286534 /nfs/dbraw/zinc/28/65/34/187286534.db2.gz FITMXJKPKVAECF-UHFFFAOYSA-N 1 3 234.434 1.426 10 0 BDAEHO C[C@H]([NH2+][C@H]1CCCC[C@H]1N)c1ccc[nH]1 ZINC000247722394 344386492 /nfs/dbraw/zinc/38/64/92/344386492.db2.gz BNGCEMOQZAFMLM-UMNHJUIQSA-N 1 3 207.321 1.935 10 0 BDAEHO CC(C)[N@H+](CCCO)[C@@H]1C[C@@H](C)CC[C@@H]1CN ZINC000042498995 187292012 /nfs/dbraw/zinc/29/20/12/187292012.db2.gz LZKJVCCIPWTQKN-BFHYXJOUSA-N 1 3 242.407 1.843 10 0 BDAEHO CC(C)[N@@H+](CCCO)[C@@H]1C[C@@H](C)CC[C@@H]1CN ZINC000042498995 187292014 /nfs/dbraw/zinc/29/20/14/187292014.db2.gz LZKJVCCIPWTQKN-BFHYXJOUSA-N 1 3 242.407 1.843 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[N@@H+]1CCC[C@@H](N)C1 ZINC000235301134 344879645 /nfs/dbraw/zinc/87/96/45/344879645.db2.gz NQUUWWUYQZIXLO-AEJSXWLSSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[N@H+]1CCC[C@@H](N)C1 ZINC000235301134 344879648 /nfs/dbraw/zinc/87/96/48/344879648.db2.gz NQUUWWUYQZIXLO-AEJSXWLSSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@H]1SCC[C@@H]1N1CCC([NH3+])CC1 ZINC000235598716 344951048 /nfs/dbraw/zinc/95/10/48/344951048.db2.gz JJOWZEARAYCREZ-SCZZXKLOSA-N 1 3 200.351 1.304 10 0 BDAEHO CO[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000570953500 323082826 /nfs/dbraw/zinc/08/28/26/323082826.db2.gz GIUWDHJQPQNUQB-YNEHKIRRSA-N 1 3 228.380 1.635 10 0 BDAEHO CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)C(C)C ZINC000570953500 323082827 /nfs/dbraw/zinc/08/28/27/323082827.db2.gz GIUWDHJQPQNUQB-YNEHKIRRSA-N 1 3 228.380 1.635 10 0 BDAEHO C[C@@H]1CN(Cc2cccs2)C[C@@H]1C[NH3+] ZINC000634998702 345197988 /nfs/dbraw/zinc/19/79/88/345197988.db2.gz JLRFVPFQGOQZHN-ZJUUUORDSA-N 1 3 210.346 1.775 10 0 BDAEHO [NH3+]C[C@H]1CCCN([C@H]2CCSC2)C1 ZINC000251329832 345493307 /nfs/dbraw/zinc/49/33/07/345493307.db2.gz PAIBBRIUDWCNKT-ZJUUUORDSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@H]1CCC[N@@H+]([C@H]2CCSC2)C1 ZINC000251329832 345493308 /nfs/dbraw/zinc/49/33/08/345493308.db2.gz PAIBBRIUDWCNKT-ZJUUUORDSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@H]1CCC[N@H+]([C@H]2CCSC2)C1 ZINC000251329832 345493309 /nfs/dbraw/zinc/49/33/09/345493309.db2.gz PAIBBRIUDWCNKT-ZJUUUORDSA-N 1 3 200.351 1.163 10 0 BDAEHO COC1CCC(C)([NH+]2CCC(N)CC2)CC1 ZINC000114193561 345755979 /nfs/dbraw/zinc/75/59/79/345755979.db2.gz RFIZYJDAINRVJE-UHFFFAOYSA-N 1 3 226.364 1.757 10 0 BDAEHO COC1CCC(C)(N2CCC([NH3+])CC2)CC1 ZINC000114193561 345755982 /nfs/dbraw/zinc/75/59/82/345755982.db2.gz RFIZYJDAINRVJE-UHFFFAOYSA-N 1 3 226.364 1.757 10 0 BDAEHO C[C@H]1CCCN(Cc2cncc(C[NH3+])c2)C1 ZINC000669379142 537974548 /nfs/dbraw/zinc/97/45/48/537974548.db2.gz UFJIJZHNIIKZLV-NSHDSACASA-N 1 3 219.332 1.772 10 0 BDAEHO CCCC[C@H](CC)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000309839849 347182891 /nfs/dbraw/zinc/18/28/91/347182891.db2.gz ODPSDEUWSJJRNF-WOPDTQHZSA-N 1 3 214.353 1.125 10 0 BDAEHO CCCC[C@H](CC)[NH2+]C[C@H]1CNC[C@@H]1O ZINC000309839849 347182894 /nfs/dbraw/zinc/18/28/94/347182894.db2.gz ODPSDEUWSJJRNF-WOPDTQHZSA-N 1 3 214.353 1.125 10 0 BDAEHO CO[C@@H]([C@H](C)N[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000388261501 347275756 /nfs/dbraw/zinc/27/57/56/347275756.db2.gz AGZWPWIJXLKEEB-UHTWSYAYSA-N 1 3 226.364 1.532 10 0 BDAEHO CO[C@@H]([C@H](C)[NH2+][C@@H]1CCCNCC1)C1CC1 ZINC000388261501 347275758 /nfs/dbraw/zinc/27/57/58/347275758.db2.gz AGZWPWIJXLKEEB-UHTWSYAYSA-N 1 3 226.364 1.532 10 0 BDAEHO C[C@@H]1CCN([C@]2(C[NH3+])CS[C@@H](C)C2)C1 ZINC000251709854 362900770 /nfs/dbraw/zinc/90/07/70/362900770.db2.gz OVOYRGANLFMACY-OUAUKWLOSA-N 1 3 214.378 1.551 10 0 BDAEHO COC(C)(C)CN1CCC[NH2+]CCC1 ZINC000159336430 350038602 /nfs/dbraw/zinc/03/86/02/350038602.db2.gz XKRULJRQZCKLLL-UHFFFAOYSA-N 1 3 200.326 1.097 10 0 BDAEHO COC(C)(C)C[NH+]1CCCNCCC1 ZINC000159336430 350038605 /nfs/dbraw/zinc/03/86/05/350038605.db2.gz XKRULJRQZCKLLL-UHFFFAOYSA-N 1 3 200.326 1.097 10 0 BDAEHO N[C@@H]1C[C@]2(CCC[NH2+]C2)Oc2ccccc21 ZINC000212667337 538090802 /nfs/dbraw/zinc/09/08/02/538090802.db2.gz BGSMZNCEEBTSQO-YPMHNXCESA-N 1 3 218.300 1.591 10 0 BDAEHO NCC[N@@H+]1CCCC[C@@H](c2cccnc2N)C1 ZINC000616605697 350795058 /nfs/dbraw/zinc/79/50/58/350795058.db2.gz UZQUOWHWVROPBT-LLVKDONJSA-N 1 3 234.347 1.192 10 0 BDAEHO NCC[N@H+]1CCCC[C@@H](c2cccnc2N)C1 ZINC000616605697 350795060 /nfs/dbraw/zinc/79/50/60/350795060.db2.gz UZQUOWHWVROPBT-LLVKDONJSA-N 1 3 234.347 1.192 10 0 BDAEHO C[C@H]1CSC[C@H]1N1CCC([NH3+])CC1 ZINC000306675865 350827004 /nfs/dbraw/zinc/82/70/04/350827004.db2.gz UOLXGELMBXLQKQ-WCBMZHEXSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCSC2)C[C@H]1N ZINC000251597851 350899174 /nfs/dbraw/zinc/89/91/74/350899174.db2.gz GBAPNXRLFNLRTC-OPRDCNLKSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1CC[N@H+]([C@@H]2CCSC2)C[C@H]1N ZINC000251597851 350899175 /nfs/dbraw/zinc/89/91/75/350899175.db2.gz GBAPNXRLFNLRTC-OPRDCNLKSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@H](C[NH3+])CN1C[C@@H](C)S[C@H](C)C1 ZINC000251657633 350900406 /nfs/dbraw/zinc/90/04/06/350900406.db2.gz KMWLBKCETIWCFR-OPRDCNLKSA-N 1 3 202.367 1.407 10 0 BDAEHO C[C@@H]1CCN([C@]2(C[NH3+])CS[C@H](C)C2)C1 ZINC000251709850 350901180 /nfs/dbraw/zinc/90/11/80/350901180.db2.gz OVOYRGANLFMACY-GMTAPVOTSA-N 1 3 214.378 1.551 10 0 BDAEHO [NH3+]C/C=C1/CCN(Cc2ccccc2)C1 ZINC000069049944 351347457 /nfs/dbraw/zinc/34/74/57/351347457.db2.gz APDCWTQURUEFOP-MLPAPPSSSA-N 1 3 202.301 1.777 10 0 BDAEHO C[C@@]1(CN)CC[N@@H+]([C@@H]2CCSC2)C1 ZINC000307153266 351506721 /nfs/dbraw/zinc/50/67/21/351506721.db2.gz AJVFEOYLVBFUJG-ZJUUUORDSA-N 1 3 200.351 1.163 10 0 BDAEHO C[C@@]1(CN)CC[N@H+]([C@@H]2CCSC2)C1 ZINC000307153266 351506725 /nfs/dbraw/zinc/50/67/25/351506725.db2.gz AJVFEOYLVBFUJG-ZJUUUORDSA-N 1 3 200.351 1.163 10 0 BDAEHO CS[C@@H]1CCCN([C@@H]2CC[C@H]2C[NH3+])C1 ZINC000307253205 351784239 /nfs/dbraw/zinc/78/42/39/351784239.db2.gz UUGSFUIBMVXFIU-HBNTYKKESA-N 1 3 214.378 1.551 10 0 BDAEHO CS[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H]2CN)C1 ZINC000307253205 351784243 /nfs/dbraw/zinc/78/42/43/351784243.db2.gz UUGSFUIBMVXFIU-HBNTYKKESA-N 1 3 214.378 1.551 10 0 BDAEHO CS[C@@H]1CCC[N@H+]([C@@H]2CC[C@H]2CN)C1 ZINC000307253205 351784244 /nfs/dbraw/zinc/78/42/44/351784244.db2.gz UUGSFUIBMVXFIU-HBNTYKKESA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@@H]1C[C@H](C)CN(Cc2c(C[NH3+])cnn2C)C1 ZINC000675056921 538479482 /nfs/dbraw/zinc/47/94/82/538479482.db2.gz ZCPIPWXDXZFFRV-PHIMTYICSA-N 1 3 236.363 1.357 10 0 BDAEHO [NH3+][C@@H]1C=C(C[C@H]2CCC(F)(F)C2)CNC1 ZINC000675076654 538511337 /nfs/dbraw/zinc/51/13/37/538511337.db2.gz FNOGBIFBDBWRQP-PSASIEDQSA-N 1 3 216.275 1.669 10 0 BDAEHO CCCN(C)[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080511 538519565 /nfs/dbraw/zinc/51/95/65/538519565.db2.gz SGOZIZRFZGRWIC-MNOVXSKESA-N 1 3 212.337 1.225 10 0 BDAEHO CC[N@H+](CCOC)C1[C@H](C)CNC[C@H]1C ZINC000685951384 538894353 /nfs/dbraw/zinc/89/43/53/538894353.db2.gz RUUJPZCBIHAEGL-GHMZBOCLSA-N 1 3 214.353 1.199 10 0 BDAEHO CC[N@@H+](CCOC)C1[C@H](C)CNC[C@H]1C ZINC000685951384 538894355 /nfs/dbraw/zinc/89/43/55/538894355.db2.gz RUUJPZCBIHAEGL-GHMZBOCLSA-N 1 3 214.353 1.199 10 0 BDAEHO CCN(CCOC)C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685951384 538894357 /nfs/dbraw/zinc/89/43/57/538894357.db2.gz RUUJPZCBIHAEGL-GHMZBOCLSA-N 1 3 214.353 1.199 10 0 BDAEHO C[C@@H](NCCOCC(F)F)[C@H]1CCC[NH2+]C1 ZINC000578314081 366476688 /nfs/dbraw/zinc/47/66/88/366476688.db2.gz ZQZFKXHTBIIARD-ZJUUUORDSA-N 1 3 236.306 1.246 10 0 BDAEHO C[C@@H]([NH2+]CCOCC(F)F)[C@H]1CCCNC1 ZINC000578314081 366476696 /nfs/dbraw/zinc/47/66/96/366476696.db2.gz ZQZFKXHTBIIARD-ZJUUUORDSA-N 1 3 236.306 1.246 10 0 BDAEHO CC(C)[NH2+]CCN1CCN2CCCC[C@H]2C1 ZINC000246601630 359149665 /nfs/dbraw/zinc/14/96/65/359149665.db2.gz VWGKPVIBSBSVEP-ZDUSSCGKSA-N 1 3 225.380 1.155 10 0 BDAEHO C[C@H]([C@@H]1CC[NH2+]C1)N1CCSC[C@H]1C ZINC000306577054 360465116 /nfs/dbraw/zinc/46/51/16/360465116.db2.gz KYWWXDRXWAVKOQ-GMTAPVOTSA-N 1 3 214.378 1.422 10 0 BDAEHO CSC1CC[NH+]([C@@H]2CCC[C@@H]2N)CC1 ZINC000300838966 360531931 /nfs/dbraw/zinc/53/19/31/360531931.db2.gz LUVICCCHZDZAKD-WDEREUQCSA-N 1 3 214.378 1.694 10 0 BDAEHO CSC1CCN([C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000300809336 360513501 /nfs/dbraw/zinc/51/35/01/360513501.db2.gz GWQGXPMEDFEQFB-UWVGGRQHSA-N 1 3 214.378 1.694 10 0 BDAEHO C[C@@H](C[NH3+])CN1C[C@@H](C)S[C@@H](C)C1 ZINC000069908139 361001505 /nfs/dbraw/zinc/00/15/05/361001505.db2.gz KMWLBKCETIWCFR-LPEHRKFASA-N 1 3 202.367 1.407 10 0 BDAEHO C[C@H]1CN(CCC(N)=[NH2+])C[C@H](C)S1 ZINC000069908664 361014694 /nfs/dbraw/zinc/01/46/94/361014694.db2.gz FKWOSNAEQCJTIY-YUMQZZPRSA-N 1 3 201.339 1.138 10 0 BDAEHO CCCN1CC[C@H](C[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000579227549 366738726 /nfs/dbraw/zinc/73/87/26/366738726.db2.gz OXTRFMRFUNNBCV-OLZOCXBDSA-N 1 3 242.407 1.715 10 0 BDAEHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)C(C)(C)C)C1 ZINC000579227549 366738730 /nfs/dbraw/zinc/73/87/30/366738730.db2.gz OXTRFMRFUNNBCV-OLZOCXBDSA-N 1 3 242.407 1.715 10 0 BDAEHO CCC[N@H+]1CC[C@H](CNC[C@H](O)C(C)(C)C)C1 ZINC000579227549 366738733 /nfs/dbraw/zinc/73/87/33/366738733.db2.gz OXTRFMRFUNNBCV-OLZOCXBDSA-N 1 3 242.407 1.715 10 0 BDAEHO FC1(F)C[C@@H]1CC[NH2+]C1CCNCC1 ZINC000622044214 370675728 /nfs/dbraw/zinc/67/57/28/370675728.db2.gz YSFYEVZSXVILGT-QMMMGPOBSA-N 1 3 204.264 1.373 10 0 BDAEHO [NH3+]C1([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000004204193 181333030 /nfs/dbraw/zinc/33/30/30/181333030.db2.gz CVIWGPQILYTQHX-CYBMUJFWSA-N 1 3 216.328 2.000 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@H]1CCCC12CC2 ZINC000629554954 361436579 /nfs/dbraw/zinc/43/65/79/361436579.db2.gz OZWAQHOONQJZNT-LLVKDONJSA-N 1 3 208.349 1.908 10 0 BDAEHO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCNC2)C1 ZINC000629554498 361442655 /nfs/dbraw/zinc/44/26/55/361442655.db2.gz JXSCNSVDUKJACO-WUHRBBMRSA-N 1 3 226.364 1.389 10 0 BDAEHO NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCC(O)CC1 ZINC000054601482 181344398 /nfs/dbraw/zinc/34/43/98/181344398.db2.gz SZMHXFUVPILALM-LJZITESISA-N 1 3 238.375 1.634 10 0 BDAEHO NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCC(O)CC1 ZINC000054601482 181344399 /nfs/dbraw/zinc/34/43/99/181344399.db2.gz SZMHXFUVPILALM-LJZITESISA-N 1 3 238.375 1.634 10 0 BDAEHO NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCOCC1 ZINC000040749424 181344936 /nfs/dbraw/zinc/34/49/36/181344936.db2.gz JEKRMMSCUUUBMH-CLYYMRHHSA-N 1 3 210.321 1.120 10 0 BDAEHO NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCOCC1 ZINC000040749424 181344939 /nfs/dbraw/zinc/34/49/39/181344939.db2.gz JEKRMMSCUUUBMH-CLYYMRHHSA-N 1 3 210.321 1.120 10 0 BDAEHO C[C@H](CN)[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000252588211 363909720 /nfs/dbraw/zinc/90/97/20/363909720.db2.gz AUEMVAHQZVYDMA-MXWKQRLJSA-N 1 3 200.326 1.081 10 0 BDAEHO C[C@H](CN)[C@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000252588211 363909723 /nfs/dbraw/zinc/90/97/23/363909723.db2.gz AUEMVAHQZVYDMA-MXWKQRLJSA-N 1 3 200.326 1.081 10 0 BDAEHO C[C@H](C[NH3+])[C@H](C)N1CCCO[C@H](C)C1 ZINC000252588211 363909726 /nfs/dbraw/zinc/90/97/26/363909726.db2.gz AUEMVAHQZVYDMA-MXWKQRLJSA-N 1 3 200.326 1.081 10 0 BDAEHO CCCCCN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630355353 364077555 /nfs/dbraw/zinc/07/75/55/364077555.db2.gz GWZTWIUZAFNFIZ-NWDGAFQWSA-N 1 3 214.353 1.615 10 0 BDAEHO CO[C@@H]1CN(CC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630354794 364078067 /nfs/dbraw/zinc/07/80/67/364078067.db2.gz AZIWGHNNKQPZAK-WDEREUQCSA-N 1 3 200.326 1.081 10 0 BDAEHO CC1CCN([C@@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264548 541337577 /nfs/dbraw/zinc/33/75/77/541337577.db2.gz VIBHMFLHLRZEHD-CHWSQXEVSA-N 1 3 238.375 1.615 10 0 BDAEHO C[NH2+]CC1(CN)CC(c2ccccc2)C1 ZINC000725273547 541341270 /nfs/dbraw/zinc/34/12/70/541341270.db2.gz KIHRBJYDHRJSII-UHFFFAOYSA-N 1 3 204.317 1.729 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)[C@@H]1CCCNC1 ZINC000573555637 364858108 /nfs/dbraw/zinc/85/81/08/364858108.db2.gz LVXLQCIBXUDVPO-REWJHTLYSA-N 1 3 240.391 1.515 10 0 BDAEHO C[C@@H]([NH2+]CC[C@H](C)F)[C@@H]1CCCNC1 ZINC000573830812 364926494 /nfs/dbraw/zinc/92/64/94/364926494.db2.gz CIBMVDYSMZREAX-HBNTYKKESA-N 1 3 202.317 1.712 10 0 BDAEHO [NH3+]CCCCCN1CCCN(CC(F)F)CC1 ZINC000037755650 181374826 /nfs/dbraw/zinc/37/48/26/181374826.db2.gz BQRVXRKIVUKPJX-UHFFFAOYSA-N 1 3 249.349 1.388 10 0 BDAEHO CS[C@H](CO)[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000574392270 365051413 /nfs/dbraw/zinc/05/14/13/365051413.db2.gz LAWZFFDSOMYVQW-FIQHERPVSA-N 1 3 246.420 1.077 10 0 BDAEHO C[C@@H](N[C@@H]1CO[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000581608616 367632188 /nfs/dbraw/zinc/63/21/88/367632188.db2.gz ZOCNNVWHFMUDEG-KKOKHZNYSA-N 1 3 212.337 1.142 10 0 BDAEHO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCCNC1 ZINC000581608616 367632193 /nfs/dbraw/zinc/63/21/93/367632193.db2.gz ZOCNNVWHFMUDEG-KKOKHZNYSA-N 1 3 212.337 1.142 10 0 BDAEHO C[C@H]([NH2+]CCC(C)(C)O)[C@@H]1CCCNC1 ZINC000567647038 326237802 /nfs/dbraw/zinc/23/78/02/326237802.db2.gz NCTRAJOBPGBROM-WDEREUQCSA-N 1 3 214.353 1.125 10 0 BDAEHO C[C@H](NCCC(C)(C)O)[C@@H]1CCC[NH2+]C1 ZINC000567647038 326237806 /nfs/dbraw/zinc/23/78/06/326237806.db2.gz NCTRAJOBPGBROM-WDEREUQCSA-N 1 3 214.353 1.125 10 0 BDAEHO CC[C@H]1C[N@@H+](C2CCNCC2)CCS1 ZINC000133027934 371974146 /nfs/dbraw/zinc/97/41/46/371974146.db2.gz IUNXZEBLQKOZBD-NSHDSACASA-N 1 3 214.378 1.566 10 0 BDAEHO CC[C@H]1C[N@H+](C2CCNCC2)CCS1 ZINC000133027934 371974152 /nfs/dbraw/zinc/97/41/52/371974152.db2.gz IUNXZEBLQKOZBD-NSHDSACASA-N 1 3 214.378 1.566 10 0 BDAEHO [NH3+]C[C@@H]1CC[C@@H]1N1CCCSCC1 ZINC000217687988 371997796 /nfs/dbraw/zinc/99/77/96/371997796.db2.gz FRKXZCORHIIMNM-UWVGGRQHSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@@H]1CC[C@@H]1[N@@H+]1CCCSCC1 ZINC000217687988 371997801 /nfs/dbraw/zinc/99/78/01/371997801.db2.gz FRKXZCORHIIMNM-UWVGGRQHSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@@H]1CC[C@@H]1[N@H+]1CCCSCC1 ZINC000217687988 371997808 /nfs/dbraw/zinc/99/78/08/371997808.db2.gz FRKXZCORHIIMNM-UWVGGRQHSA-N 1 3 200.351 1.163 10 0 BDAEHO CC[C@H]1CCN([C@@]2(C[NH3+])CCSC2)C1 ZINC000228679553 372066861 /nfs/dbraw/zinc/06/68/61/372066861.db2.gz OAHFLOUFYOMSIH-WDEREUQCSA-N 1 3 214.378 1.553 10 0 BDAEHO N#CCCNCCCCCCC[NH2+]CCC#N ZINC000218675814 372143787 /nfs/dbraw/zinc/14/37/87/372143787.db2.gz QDGYCGRHRXRPHU-UHFFFAOYSA-N 1 3 236.363 1.943 10 0 BDAEHO C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1CN ZINC000631838636 372634774 /nfs/dbraw/zinc/63/47/74/372634774.db2.gz RXFUTSRGOYQZLY-WOPDTQHZSA-N 1 3 212.337 1.082 10 0 BDAEHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1CN ZINC000631838636 372634777 /nfs/dbraw/zinc/63/47/77/372634777.db2.gz RXFUTSRGOYQZLY-WOPDTQHZSA-N 1 3 212.337 1.082 10 0 BDAEHO C[C@H]1CN(CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000631841064 372638772 /nfs/dbraw/zinc/63/87/72/372638772.db2.gz XUAIROFBYQHYAW-AAEUAGOBSA-N 1 3 219.332 1.151 10 0 BDAEHO CCCC[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCCC1 ZINC000049184910 169007293 /nfs/dbraw/zinc/00/72/93/169007293.db2.gz MSOSRSKPYUWVDB-RYUDHWBXSA-N 1 3 241.379 1.104 10 0 BDAEHO OC[C@H](C1CCCCC1)N1CCC[NH2+]CC1 ZINC000038117373 183136254 /nfs/dbraw/zinc/13/62/54/183136254.db2.gz MERPQIGQKRGEKK-CYBMUJFWSA-N 1 3 226.364 1.223 10 0 BDAEHO O[C@@H]1CCCCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000062072612 183186663 /nfs/dbraw/zinc/18/66/63/183186663.db2.gz SIGRSFDPSFXMQV-UONOGXRCSA-N 1 3 240.391 1.756 10 0 BDAEHO CCCN(CC[NH2+][C@@H](C)C(C)C)CCN(C)C ZINC000053436098 169160198 /nfs/dbraw/zinc/16/01/98/169160198.db2.gz JUVFNJLEJAFLPT-AWEZNQCLSA-N 1 3 243.439 1.894 10 0 BDAEHO CCCN1CCC([NH2+]CCN(C)C2CC2)CC1 ZINC000061992532 169188053 /nfs/dbraw/zinc/18/80/53/169188053.db2.gz VJAUBZHZKYGCOJ-UHFFFAOYSA-N 1 3 239.407 1.545 10 0 BDAEHO CCC[NH+]1CCC(NCCN(C)C2CC2)CC1 ZINC000061992532 169188054 /nfs/dbraw/zinc/18/80/54/169188054.db2.gz VJAUBZHZKYGCOJ-UHFFFAOYSA-N 1 3 239.407 1.545 10 0 BDAEHO CCCN1CCN(C[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053860713 169202492 /nfs/dbraw/zinc/20/24/92/169202492.db2.gz QPBZORNFHNNVKP-STQMWFEESA-N 1 3 225.380 1.141 10 0 BDAEHO CCCN1CCN(C2CCC([NH3+])CC2)CC1 ZINC000055144199 169202495 /nfs/dbraw/zinc/20/24/95/169202495.db2.gz FKPROWYGZMLTDU-UHFFFAOYSA-N 1 3 225.380 1.284 10 0 BDAEHO CCCN1CCN([C@@H](C)CCC[NH3+])CC1 ZINC000052421939 169203832 /nfs/dbraw/zinc/20/38/32/169203832.db2.gz NBBBTYKFJCMATG-LBPRGKRZSA-N 1 3 213.369 1.141 10 0 BDAEHO CCCO[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000042422759 169310590 /nfs/dbraw/zinc/31/05/90/169310590.db2.gz KUYPRTTZEVAHGC-CYBMUJFWSA-N 1 3 226.364 1.629 10 0 BDAEHO CCCO[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000042422759 169310592 /nfs/dbraw/zinc/31/05/92/169310592.db2.gz KUYPRTTZEVAHGC-CYBMUJFWSA-N 1 3 226.364 1.629 10 0 BDAEHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)C(C)(C)O ZINC000564823377 384657532 /nfs/dbraw/zinc/65/75/32/384657532.db2.gz OWFHKBLJBACOTL-UTUOFQBUSA-N 1 3 228.380 1.514 10 0 BDAEHO C[C@H](C[NH2+]CC(C)(C)O)CN1CCCC1 ZINC000062071258 384759305 /nfs/dbraw/zinc/75/93/05/384759305.db2.gz JLAMVHLTPXHIBV-LLVKDONJSA-N 1 3 214.353 1.079 10 0 BDAEHO C[C@H](CNCC(C)(C)O)C[NH+]1CCCC1 ZINC000062071258 384759310 /nfs/dbraw/zinc/75/93/10/384759310.db2.gz JLAMVHLTPXHIBV-LLVKDONJSA-N 1 3 214.353 1.079 10 0 BDAEHO COC[C@H](C)C[N@H+](C)[C@H]1CCCNCC1 ZINC000300232874 384827940 /nfs/dbraw/zinc/82/79/40/384827940.db2.gz IPGWCSUFAGNMFG-NEPJUHHUSA-N 1 3 214.353 1.343 10 0 BDAEHO COC[C@H](C)C[N@@H+](C)[C@H]1CCCNCC1 ZINC000300232874 384827950 /nfs/dbraw/zinc/82/79/50/384827950.db2.gz IPGWCSUFAGNMFG-NEPJUHHUSA-N 1 3 214.353 1.343 10 0 BDAEHO C[C@H](N[C@@H]1CSC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000306574756 384783887 /nfs/dbraw/zinc/78/38/87/384783887.db2.gz IOLXXFCIYCGRPR-IVZWLZJFSA-N 1 3 214.378 1.468 10 0 BDAEHO Cc1c(C[NH2+][C@H](C)CCN(C)C)cnn1C ZINC000086552020 385027299 /nfs/dbraw/zinc/02/72/99/385027299.db2.gz BZIOVEJQBLXTKQ-SNVBAGLBSA-N 1 3 224.352 1.158 10 0 BDAEHO N[C@@H](CC[NH3+])c1cccc(Br)c1 ZINC000259402119 385425335 /nfs/dbraw/zinc/42/53/35/385425335.db2.gz OCQLEBLAYZMKHY-VIFPVBQESA-N 1 3 229.121 1.798 10 0 BDAEHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@H]1CCCO1 ZINC000183100071 385508337 /nfs/dbraw/zinc/50/83/37/385508337.db2.gz HUJJEEFBVASECJ-RWMBFGLXSA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCO1 ZINC000183100071 385508340 /nfs/dbraw/zinc/50/83/40/385508340.db2.gz HUJJEEFBVASECJ-RWMBFGLXSA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@H](NCC[C@@H]1CCC[N@H+]1C)[C@H]1CCCO1 ZINC000183100071 385508343 /nfs/dbraw/zinc/50/83/43/385508343.db2.gz HUJJEEFBVASECJ-RWMBFGLXSA-N 1 3 226.364 1.628 10 0 BDAEHO CCCC(CCC)[NH2+]C[C@@H]1CNC[C@H]1O ZINC000336692015 385732442 /nfs/dbraw/zinc/73/24/42/385732442.db2.gz XFCDSVAMGWKRQU-CMPLNLGQSA-N 1 3 214.353 1.125 10 0 BDAEHO CCCC(CCC)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000336692015 385732446 /nfs/dbraw/zinc/73/24/46/385732446.db2.gz XFCDSVAMGWKRQU-CMPLNLGQSA-N 1 3 214.353 1.125 10 0 BDAEHO C(C[NH2+][C@@H]1CCCNCC1)C[C@@H]1CCOC1 ZINC000401920004 386427495 /nfs/dbraw/zinc/42/74/95/386427495.db2.gz DNYOCMMEHVGCQY-CHWSQXEVSA-N 1 3 226.364 1.535 10 0 BDAEHO CCOCCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000519539979 386485697 /nfs/dbraw/zinc/48/56/97/386485697.db2.gz UGLBNNVTULRRHX-QWHCGFSZSA-N 1 3 228.380 1.781 10 0 BDAEHO OCC1(C[NH2+]C2CCNCC2)CCCCC1 ZINC000168339439 386758124 /nfs/dbraw/zinc/75/81/24/386758124.db2.gz IRPDTPBTSJMREK-UHFFFAOYSA-N 1 3 226.364 1.271 10 0 BDAEHO OCC1(CNC2CC[NH2+]CC2)CCCCC1 ZINC000168339439 386758131 /nfs/dbraw/zinc/75/81/31/386758131.db2.gz IRPDTPBTSJMREK-UHFFFAOYSA-N 1 3 226.364 1.271 10 0 BDAEHO N[C@@H](CCC[NH3+])c1c(F)cccc1F ZINC000575440058 387127202 /nfs/dbraw/zinc/12/72/02/387127202.db2.gz ICFUPPBNCUFDHM-VIFPVBQESA-N 1 3 200.232 1.704 10 0 BDAEHO COc1cc([C@H]([NH3+])CCC[NH3+])cc(Cl)c1[O-] ZINC000575438291 387128946 /nfs/dbraw/zinc/12/89/46/387128946.db2.gz IIYHFGQDBHUKQH-SECBINFHSA-N 1 3 244.722 1.793 10 0 BDAEHO C[C@@H]1CSC[C@@H]1[N@@H+]1CCC[C@H](N)C1 ZINC000306445655 387164997 /nfs/dbraw/zinc/16/49/97/387164997.db2.gz QZGVGLCNNAOBLE-UTLUCORTSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1CSC[C@@H]1[N@H+]1CCC[C@H](N)C1 ZINC000306445655 387165002 /nfs/dbraw/zinc/16/50/02/387165002.db2.gz QZGVGLCNNAOBLE-UTLUCORTSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@H](NCCc1ccsc1)[C@@H]1CC[NH2+]C1 ZINC000400437790 387302691 /nfs/dbraw/zinc/30/26/91/387302691.db2.gz NDZLHTQFZCBUQJ-CMPLNLGQSA-N 1 3 224.373 1.878 10 0 BDAEHO OCC[C@@H]([NH2+]C1CCNCC1)C1CCCCC1 ZINC000423001239 387805347 /nfs/dbraw/zinc/80/53/47/387805347.db2.gz DIGWMRNZYQICNC-CQSZACIVSA-N 1 3 240.391 1.659 10 0 BDAEHO C[C@@H](C[NH2+]C1CCNCC1)Oc1ccccc1 ZINC000422975974 387826885 /nfs/dbraw/zinc/82/68/85/387826885.db2.gz CKJBHIOTENUFCG-LBPRGKRZSA-N 1 3 234.343 1.796 10 0 BDAEHO C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@H]1CCCNC1 ZINC000643459711 387848937 /nfs/dbraw/zinc/84/89/37/387848937.db2.gz USYGYBLMEVSLLE-AVGNSLFASA-N 1 3 226.364 1.533 10 0 BDAEHO C(C[NH2+][C@H]1CCNC1)C[C@@H]1CCCCO1 ZINC000423035448 387851038 /nfs/dbraw/zinc/85/10/38/387851038.db2.gz JMQOXNJUHGTQBC-RYUDHWBXSA-N 1 3 212.337 1.287 10 0 BDAEHO C[C@H](NCCC1(F)CCC1)[C@H]1CC[NH2+]C1 ZINC000423113899 387895013 /nfs/dbraw/zinc/89/50/13/387895013.db2.gz UWYYKKNMMNHPKP-QWRGUYRKSA-N 1 3 214.328 1.856 10 0 BDAEHO C[C@@H](NCCC1(F)CCC1)[C@H]1CC[NH2+]C1 ZINC000423113898 387895533 /nfs/dbraw/zinc/89/55/33/387895533.db2.gz UWYYKKNMMNHPKP-MNOVXSKESA-N 1 3 214.328 1.856 10 0 BDAEHO CO[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]CC2)C12CCC2 ZINC000423171304 387956168 /nfs/dbraw/zinc/95/61/68/387956168.db2.gz OBAQOIRKXZPSQC-JHJVBQTASA-N 1 3 238.375 1.676 10 0 BDAEHO CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNCC2)C12CCC2 ZINC000423171304 387956171 /nfs/dbraw/zinc/95/61/71/387956171.db2.gz OBAQOIRKXZPSQC-JHJVBQTASA-N 1 3 238.375 1.676 10 0 BDAEHO Cc1ccc(CCN[C@H](C)[C@@H]2CC[NH2+]C2)nc1 ZINC000423161261 387942614 /nfs/dbraw/zinc/94/26/14/387942614.db2.gz INKRFJZRKHXGFZ-CHWSQXEVSA-N 1 3 233.359 1.520 10 0 BDAEHO Cc1ccc(CCN[C@H]2CCC[NH2+]CC2)nc1 ZINC000423164120 387945334 /nfs/dbraw/zinc/94/53/34/387945334.db2.gz NXZDYRYOYAJQFE-ZDUSSCGKSA-N 1 3 233.359 1.664 10 0 BDAEHO CO[C@@H]1C[C@H](N[C@H](C)[C@H]2CC[NH2+]C2)C12CCC2 ZINC000423172066 387959732 /nfs/dbraw/zinc/95/97/32/387959732.db2.gz RDSKBWCRGKSWQF-MROQNXINSA-N 1 3 238.375 1.532 10 0 BDAEHO CCC(CC)[C@H](O)CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400509569 387986637 /nfs/dbraw/zinc/98/66/37/387986637.db2.gz FEDFAYALLYYSIK-WCFLWFBJSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000423215441 387996561 /nfs/dbraw/zinc/99/65/61/387996561.db2.gz NWCNTHXOSBNGDE-BETNDFDFSA-N 1 3 208.349 1.904 10 0 BDAEHO C1C[C@H]([NH2+][C@H]2CCCSCC2)CN1 ZINC000575518826 388356107 /nfs/dbraw/zinc/35/61/07/388356107.db2.gz VZDMCGLUXFCMFT-UWVGGRQHSA-N 1 3 200.351 1.224 10 0 BDAEHO C[C@H]1CN(CCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000631842928 388611016 /nfs/dbraw/zinc/61/10/16/388611016.db2.gz HMBYCCJLCRYWGS-STQMWFEESA-N 1 3 234.343 1.592 10 0 BDAEHO Cc1cc(N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc[nH+]1 ZINC000274402538 132202980 /nfs/dbraw/zinc/20/29/80/132202980.db2.gz YCBYBKLOUDAXIU-QWHCGFSZSA-N 1 3 249.358 1.281 10 0 BDAEHO CCN1CCN(c2ccccc2[C@H](C)[NH3+])CC1 ZINC000019872693 132328535 /nfs/dbraw/zinc/32/85/35/132328535.db2.gz LGRFNPWZCGRCOB-LBPRGKRZSA-N 1 3 233.359 1.848 10 0 BDAEHO Nc1c[nH+]ccc1N1CCN(C2CCCC2)CC1 ZINC000035081407 132337543 /nfs/dbraw/zinc/33/75/43/132337543.db2.gz OHKPKLYCGWLDRU-UHFFFAOYSA-N 1 3 246.358 1.728 10 0 BDAEHO CN(CCC[NH+](C)C)[C@H]1CCCC[C@H]1O ZINC000250347925 135053062 /nfs/dbraw/zinc/05/30/62/135053062.db2.gz HNZZRMZYWVCUBL-NWDGAFQWSA-N 1 3 214.353 1.173 10 0 BDAEHO O[C@H]1C[NH2+]C[C@H]1CNCC1CCCCCC1 ZINC000262069752 135276942 /nfs/dbraw/zinc/27/69/42/135276942.db2.gz BZLVTNNNLHSCIB-OLZOCXBDSA-N 1 3 226.364 1.127 10 0 BDAEHO O[C@H]1CNC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000262069752 135276944 /nfs/dbraw/zinc/27/69/44/135276944.db2.gz BZLVTNNNLHSCIB-OLZOCXBDSA-N 1 3 226.364 1.127 10 0 BDAEHO CCC1CCC(NC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263142401 135335686 /nfs/dbraw/zinc/33/56/86/135335686.db2.gz CLLOFFVUQYQCCC-MVKMKZAISA-N 1 3 226.364 1.125 10 0 BDAEHO CCC1CCC([NH2+]C[C@@H]2CNC[C@@H]2O)CC1 ZINC000263142401 135335687 /nfs/dbraw/zinc/33/56/87/135335687.db2.gz CLLOFFVUQYQCCC-MVKMKZAISA-N 1 3 226.364 1.125 10 0 BDAEHO O[C@H]1CNC[C@H]1C[NH2+]C1CCCCCCC1 ZINC000263174548 135337263 /nfs/dbraw/zinc/33/72/63/135337263.db2.gz GCNPCOBREUASSK-AAEUAGOBSA-N 1 3 226.364 1.269 10 0 BDAEHO O[C@H]1C[NH2+]C[C@H]1CNC1CCCCCCC1 ZINC000263174548 135337264 /nfs/dbraw/zinc/33/72/64/135337264.db2.gz GCNPCOBREUASSK-AAEUAGOBSA-N 1 3 226.364 1.269 10 0 BDAEHO CCC(CC)(CC)CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263214479 135340060 /nfs/dbraw/zinc/34/00/60/135340060.db2.gz KSDZZAWZWFKCBD-RYUDHWBXSA-N 1 3 228.380 1.373 10 0 BDAEHO CCC(CC)(CC)C[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000263214479 135340061 /nfs/dbraw/zinc/34/00/61/135340061.db2.gz KSDZZAWZWFKCBD-RYUDHWBXSA-N 1 3 228.380 1.373 10 0 BDAEHO Cc1ccccc1C[C@H](C)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000263310744 135345634 /nfs/dbraw/zinc/34/56/34/135345634.db2.gz YNZRJTLEUSCTDQ-CFVMTHIKSA-N 1 3 248.370 1.096 10 0 BDAEHO Cc1ccccc1C[C@H](C)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263310747 135345801 /nfs/dbraw/zinc/34/58/01/135345801.db2.gz YNZRJTLEUSCTDQ-QEJZJMRPSA-N 1 3 248.370 1.096 10 0 BDAEHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)CC(C)(C)C1 ZINC000263312042 135345829 /nfs/dbraw/zinc/34/58/29/135345829.db2.gz YVMOPWRXFCUICC-VOAKCMCISA-N 1 3 240.391 1.371 10 0 BDAEHO C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)CC(C)(C)C1 ZINC000263312042 135345831 /nfs/dbraw/zinc/34/58/31/135345831.db2.gz YVMOPWRXFCUICC-VOAKCMCISA-N 1 3 240.391 1.371 10 0 BDAEHO C[C@@H](C[NH3+])CN[C@@H](C)CNC(=O)OC(C)(C)C ZINC000307296910 398062816 /nfs/dbraw/zinc/06/28/16/398062816.db2.gz RKKOMYCZVYTMOE-UWVGGRQHSA-N 1 3 245.367 1.084 10 0 BDAEHO C[C@@H](CN)C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000307296910 398062823 /nfs/dbraw/zinc/06/28/23/398062823.db2.gz RKKOMYCZVYTMOE-UWVGGRQHSA-N 1 3 245.367 1.084 10 0 BDAEHO CO[C@H](CN(C)[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662266536 409567191 /nfs/dbraw/zinc/56/71/91/409567191.db2.gz IDGPJHNQIJZBLF-ZIAGYGMSSA-N 1 3 240.391 1.875 10 0 BDAEHO CC(C)C[NH2+]CCC[C@H](C)N1CCN(C)CC1 ZINC000052379481 167003387 /nfs/dbraw/zinc/00/33/87/167003387.db2.gz BIXRPCQHOGSFEL-AWEZNQCLSA-N 1 3 241.423 1.648 10 0 BDAEHO CC[NH2+][C@H]1CCN(CC2CCOCC2)C[C@@H]1C ZINC000104193749 170166899 /nfs/dbraw/zinc/16/68/99/170166899.db2.gz AKSNHMJMMMDSGU-JSGCOSHPSA-N 1 3 240.391 1.733 10 0 BDAEHO CC[NH2+][C@H]1CCC[C@H]1N1CCCN(C)CC1 ZINC000043818337 170167186 /nfs/dbraw/zinc/16/71/86/170167186.db2.gz HLTLZXRCLWOTFQ-QWHCGFSZSA-N 1 3 225.380 1.155 10 0 BDAEHO CCOC1CCN([C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000040678533 170332165 /nfs/dbraw/zinc/33/21/65/170332165.db2.gz IPIBOGPMRXLMMQ-AAEUAGOBSA-N 1 3 226.364 1.615 10 0 BDAEHO CCOC1CC[NH+]([C@H]2CCC[C@H]2CN)CC1 ZINC000040678533 170332162 /nfs/dbraw/zinc/33/21/62/170332162.db2.gz IPIBOGPMRXLMMQ-AAEUAGOBSA-N 1 3 226.364 1.615 10 0 BDAEHO CC[C@@H]1CN([C@@H]2CCCCC[C@@H]2[NH3+])CCN1C ZINC000104138431 171094654 /nfs/dbraw/zinc/09/46/54/171094654.db2.gz YTENYUCEGDLDNI-HZSPNIEDSA-N 1 3 239.407 1.672 10 0 BDAEHO CC[C@@H]1CN([C@](C)(C[NH3+])CC(C)C)CCN1C ZINC000104137039 171097420 /nfs/dbraw/zinc/09/74/20/171097420.db2.gz YCUCPQFEVBZQFG-KGLIPLIRSA-N 1 3 241.423 1.776 10 0 BDAEHO CC[C@@](C)(CN)[N@H+](C)C1CCN(C)CC1 ZINC000050279909 171167014 /nfs/dbraw/zinc/16/70/14/171167014.db2.gz BHPPLHDLOQBRKJ-LBPRGKRZSA-N 1 3 213.369 1.140 10 0 BDAEHO CC[C@@](C)(CN)[N@@H+](C)C1CCN(C)CC1 ZINC000050279909 171167018 /nfs/dbraw/zinc/16/70/18/171167018.db2.gz BHPPLHDLOQBRKJ-LBPRGKRZSA-N 1 3 213.369 1.140 10 0 BDAEHO CC[C@H](C)C[C@@](CC)(CN)[NH+]1CCN(C)CC1 ZINC000019423382 171297043 /nfs/dbraw/zinc/29/70/43/171297043.db2.gz OVOYMHDGPSQJII-KBPBESRZSA-N 1 3 241.423 1.778 10 0 BDAEHO CC[C@H](C)[C@@H](CN)[N@H+](CCN(C)C)CC(C)C ZINC000042744417 171368455 /nfs/dbraw/zinc/36/84/55/171368455.db2.gz LZPOOJCYIPVUJT-UONOGXRCSA-N 1 3 243.439 1.879 10 0 BDAEHO CC[C@H](C)[C@@H](CN)[N@@H+](CCN(C)C)CC(C)C ZINC000042744417 171368456 /nfs/dbraw/zinc/36/84/56/171368456.db2.gz LZPOOJCYIPVUJT-UONOGXRCSA-N 1 3 243.439 1.879 10 0 BDAEHO C[C@H](N[C@H]1CCN(C(C)(C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000665236913 412176885 /nfs/dbraw/zinc/17/68/85/412176885.db2.gz WHVFBWJWBNQOHF-XQQFMLRXSA-N 1 3 239.407 1.447 10 0 BDAEHO C[C@@H](NCCC(C)(C)F)[C@H]1CC[NH2+]C1 ZINC000665261645 412203980 /nfs/dbraw/zinc/20/39/80/412203980.db2.gz IQLJVCJRLGYJAF-ZJUUUORDSA-N 1 3 202.317 1.712 10 0 BDAEHO C[C@@]1(C[NH2+]C2CCNCC2)CC1(F)F ZINC000665264599 412207749 /nfs/dbraw/zinc/20/77/49/412207749.db2.gz DHAKBXBUORVYEC-VIFPVBQESA-N 1 3 204.264 1.373 10 0 BDAEHO C[C@@]1(CNC2CC[NH2+]CC2)CC1(F)F ZINC000665264599 412207752 /nfs/dbraw/zinc/20/77/52/412207752.db2.gz DHAKBXBUORVYEC-VIFPVBQESA-N 1 3 204.264 1.373 10 0 BDAEHO C[N@@H+]1CCCN[C@H](Cc2ccccc2)C1 ZINC000062569208 173019397 /nfs/dbraw/zinc/01/93/97/173019397.db2.gz NCXCSRLTYBSEOD-CYBMUJFWSA-N 1 3 204.317 1.523 10 0 BDAEHO C[N@H+]1CCCN[C@H](Cc2ccccc2)C1 ZINC000062569208 173019399 /nfs/dbraw/zinc/01/93/99/173019399.db2.gz NCXCSRLTYBSEOD-CYBMUJFWSA-N 1 3 204.317 1.523 10 0 BDAEHO C[N@@H+]1CCC[C@H]1CCOCc1occc1CN ZINC000052673257 173052981 /nfs/dbraw/zinc/05/29/81/173052981.db2.gz BEUKHSDGZIFKHF-LBPRGKRZSA-N 1 3 238.331 1.739 10 0 BDAEHO C[N@H+]1CCC[C@H]1CCOCc1occc1CN ZINC000052673257 173052985 /nfs/dbraw/zinc/05/29/85/173052985.db2.gz BEUKHSDGZIFKHF-LBPRGKRZSA-N 1 3 238.331 1.739 10 0 BDAEHO CN(C[C@H]1CCN(C)C1)C(=[NH2+])Nc1ccccc1 ZINC000071190779 173143896 /nfs/dbraw/zinc/14/38/96/173143896.db2.gz APKRGLFCTBGAFN-LBPRGKRZSA-N 1 3 246.358 1.917 10 0 BDAEHO CNCC1(C[N@@H+](C)C[C@@H]2C[C@@H]2C)CCOCC1 ZINC000104426976 173337855 /nfs/dbraw/zinc/33/78/55/173337855.db2.gz VTQKSXHILCSAMH-STQMWFEESA-N 1 3 240.391 1.590 10 0 BDAEHO C[NH2+]CC1(CN(C)C[C@@H]2C[C@@H]2C)CCOCC1 ZINC000104426976 173337853 /nfs/dbraw/zinc/33/78/53/173337853.db2.gz VTQKSXHILCSAMH-STQMWFEESA-N 1 3 240.391 1.590 10 0 BDAEHO CNCC1(C[N@H+](C)C[C@@H]2C[C@@H]2C)CCOCC1 ZINC000104426976 173337854 /nfs/dbraw/zinc/33/78/54/173337854.db2.gz VTQKSXHILCSAMH-STQMWFEESA-N 1 3 240.391 1.590 10 0 BDAEHO C[NH2+]C[C@H]1CCN(CCCCn2ccnc2)C1 ZINC000053034310 173380896 /nfs/dbraw/zinc/38/08/96/173380896.db2.gz ZSOAMYDYZXSHPN-CYBMUJFWSA-N 1 3 236.363 1.205 10 0 BDAEHO C[NH2+]C[C@]1(CN(C)CC2CCC2)CCCOC1 ZINC000104318766 173383933 /nfs/dbraw/zinc/38/39/33/173383933.db2.gz CQRPBVGKBURQCV-AWEZNQCLSA-N 1 3 240.391 1.735 10 0 BDAEHO CNC[C@]1(C[N@H+](C)CC2CCC2)CCCOC1 ZINC000104318766 173383935 /nfs/dbraw/zinc/38/39/35/173383935.db2.gz CQRPBVGKBURQCV-AWEZNQCLSA-N 1 3 240.391 1.735 10 0 BDAEHO CNC[C@]1(C[N@@H+](C)CC2CCC2)CCCOC1 ZINC000104318766 173383936 /nfs/dbraw/zinc/38/39/36/173383936.db2.gz CQRPBVGKBURQCV-AWEZNQCLSA-N 1 3 240.391 1.735 10 0 BDAEHO CNCc1cc(Cl)ccc1OCC[NH+](C)C ZINC000019776969 173387173 /nfs/dbraw/zinc/38/71/73/173387173.db2.gz OYZGKPXUBQBZOP-UHFFFAOYSA-N 1 3 242.750 2.000 10 0 BDAEHO CNCc1cccc(OCC[NH+]2CCCC2)n1 ZINC000051548845 173389362 /nfs/dbraw/zinc/38/93/62/173389362.db2.gz QCNBTLHSJKENAZ-UHFFFAOYSA-N 1 3 235.331 1.276 10 0 BDAEHO CNCc1coc(COC2CC[NH+](C)CC2)c1 ZINC000052596773 173392881 /nfs/dbraw/zinc/39/28/81/173392881.db2.gz COEDXQZMCLRARF-UHFFFAOYSA-N 1 3 238.331 1.610 10 0 BDAEHO COC1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000037265762 174030967 /nfs/dbraw/zinc/03/09/67/174030967.db2.gz UEOBDBZCUXFHSY-UHFFFAOYSA-N 1 3 234.343 1.756 10 0 BDAEHO COCCCN(CCOC)C1(C[NH3+])CCCC1 ZINC000042420924 174224858 /nfs/dbraw/zinc/22/48/58/174224858.db2.gz SZSHKINKTLCZKH-UHFFFAOYSA-N 1 3 244.379 1.243 10 0 BDAEHO COc1ccc(C[C@@H](C[NH3+])CN(C)C)cc1 ZINC000011799977 175115836 /nfs/dbraw/zinc/11/58/36/175115836.db2.gz JYBUIXJNQZBAKO-LBPRGKRZSA-N 1 3 222.332 1.374 10 0 BDAEHO COc1ccc2c(c1)nc(N)n2CC[NH+](C)C ZINC000075947393 175220005 /nfs/dbraw/zinc/22/00/05/175220005.db2.gz FCTSPWOBBPAMAO-UHFFFAOYSA-N 1 3 234.303 1.189 10 0 BDAEHO C[C@@H]1CC[C@@H](N)[C@H]([N@H+](C)C2CCN(C)CC2)C1 ZINC000052684820 176208239 /nfs/dbraw/zinc/20/82/39/176208239.db2.gz CBGJTHCPCCMLGA-MRVWCRGKSA-N 1 3 239.407 1.528 10 0 BDAEHO C[C@@H]1CC[C@@H](N)[C@H]([N@@H+](C)C2CCN(C)CC2)C1 ZINC000052684820 176208241 /nfs/dbraw/zinc/20/82/41/176208241.db2.gz CBGJTHCPCCMLGA-MRVWCRGKSA-N 1 3 239.407 1.528 10 0 BDAEHO C[C@@H]1CN(CC2CCC([NH3+])CC2)CCO1 ZINC000037482382 176285922 /nfs/dbraw/zinc/28/59/22/176285922.db2.gz PVOMQSQQSFECED-VOMCLLRMSA-N 1 3 212.337 1.225 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@@H]1CN1CCN(C(C)(C)C)CC1 ZINC000104214922 176328980 /nfs/dbraw/zinc/32/89/80/176328980.db2.gz SNMGLSODZBPWBL-CHWSQXEVSA-N 1 3 239.407 1.258 10 0 BDAEHO C[C@H](C[NH3+])CN1CCN(CCC(C)(C)C)CC1 ZINC000049254405 176658179 /nfs/dbraw/zinc/65/81/79/176658179.db2.gz RKCSPYGGDGNUBI-CYBMUJFWSA-N 1 3 241.423 1.635 10 0 BDAEHO C[C@H](c1ccc[nH]1)N1CCC(C[NH3+])CC1 ZINC000095068277 177035604 /nfs/dbraw/zinc/03/56/04/177035604.db2.gz XWEFAMMZBNAMMG-SNVBAGLBSA-N 1 3 207.321 1.746 10 0 BDAEHO C[C@H](c1cnn(C)c1)N(C)CC1CC[NH2+]CC1 ZINC000094010903 177052171 /nfs/dbraw/zinc/05/21/71/177052171.db2.gz LUJHHKVZWBGCPV-LLVKDONJSA-N 1 3 236.363 1.413 10 0 BDAEHO C[C@H]1CN(CC(C)(C)C[NH3+])CCCO1 ZINC000061934202 177245639 /nfs/dbraw/zinc/24/56/39/177245639.db2.gz DVIKXKQUCOBMBK-JTQLQIEISA-N 1 3 200.326 1.082 10 0 BDAEHO C[C@H]1C[N@H+](CC(C)(C)CN)CCCO1 ZINC000061934202 177245640 /nfs/dbraw/zinc/24/56/40/177245640.db2.gz DVIKXKQUCOBMBK-JTQLQIEISA-N 1 3 200.326 1.082 10 0 BDAEHO C[C@H]1C[N@@H+](CC(C)(C)CN)CCCO1 ZINC000061934202 177245641 /nfs/dbraw/zinc/24/56/41/177245641.db2.gz DVIKXKQUCOBMBK-JTQLQIEISA-N 1 3 200.326 1.082 10 0 BDAEHO C[C@@H]1C[C@H](CN2CCOC[C@@H]2C)CC[NH2+]1 ZINC000235368850 177292993 /nfs/dbraw/zinc/29/29/93/177292993.db2.gz KMWGHAQLRWSNJM-GRYCIOLGSA-N 1 3 212.337 1.095 10 0 BDAEHO C[C@H](N[C@H](CO)CC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400348316 226341324 /nfs/dbraw/zinc/34/13/24/226341324.db2.gz LIBAFTHPGLYOIN-SRVKXCTJSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@@H](NCCOCC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400356708 226341835 /nfs/dbraw/zinc/34/18/35/226341835.db2.gz OQHHQRDJEKZVKN-TZMCWYRMSA-N 1 3 240.391 1.781 10 0 BDAEHO Cc1cccc(OCCN[C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400435504 226343490 /nfs/dbraw/zinc/34/34/90/226343490.db2.gz LCRMZRAZUNWVKM-KGLIPLIRSA-N 1 3 248.370 1.961 10 0 BDAEHO C[C@@H](N[C@H](CO)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400512115 226345454 /nfs/dbraw/zinc/34/54/54/226345454.db2.gz FQWSERZPJKDPBH-YUELXQCFSA-N 1 3 248.370 1.178 10 0 BDAEHO Cc1cccnc1CCN[C@H]1CCC[NH2+]CC1 ZINC000404816217 229226416 /nfs/dbraw/zinc/22/64/16/229226416.db2.gz CCHDEJNDIXQJOT-ZDUSSCGKSA-N 1 3 233.359 1.664 10 0 BDAEHO COCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000666774682 487878504 /nfs/dbraw/zinc/87/85/04/487878504.db2.gz RHBSJFQIIJULFY-TUAOUCFPSA-N 1 3 214.353 1.389 10 0 BDAEHO COc1cccc(CNC(C)(C)CC[NH3+])c1 ZINC000258933661 322879927 /nfs/dbraw/zinc/87/99/27/322879927.db2.gz VQGPIYSBJAKKHO-UHFFFAOYSA-N 1 3 222.332 1.912 10 0 BDAEHO C[C@H](O)[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000570515672 323061465 /nfs/dbraw/zinc/06/14/65/323061465.db2.gz NROIECFBRJLLSK-XQQFMLRXSA-N 1 3 226.364 1.079 10 0 BDAEHO C[C@H](O)[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000570515672 323061466 /nfs/dbraw/zinc/06/14/66/323061466.db2.gz NROIECFBRJLLSK-XQQFMLRXSA-N 1 3 226.364 1.079 10 0 BDAEHO C[C@H](O)[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000570515672 323061467 /nfs/dbraw/zinc/06/14/67/323061467.db2.gz NROIECFBRJLLSK-XQQFMLRXSA-N 1 3 226.364 1.079 10 0 BDAEHO C[C@H]([NH2+]CC[C@H]1CCCCO1)[C@H]1CCCNC1 ZINC000571157289 323136905 /nfs/dbraw/zinc/13/69/05/323136905.db2.gz BKFBDRVILPPKOP-MELADBBJSA-N 1 3 240.391 1.923 10 0 BDAEHO CC[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000571908579 323495384 /nfs/dbraw/zinc/49/53/84/323495384.db2.gz CMBBDFJLRVEZIL-QJPTWQEYSA-N 1 3 214.353 1.125 10 0 BDAEHO C[C@@H]([NH2+]CCCn1cccn1)[C@@H]1CCCNC1 ZINC000567603948 326227060 /nfs/dbraw/zinc/22/70/60/326227060.db2.gz DAFYOIOUQAEGPK-CHWSQXEVSA-N 1 3 236.363 1.251 10 0 BDAEHO CC(C)N(C)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000567642384 326237231 /nfs/dbraw/zinc/23/72/31/326237231.db2.gz ROZRBJGAZYUOED-STQMWFEESA-N 1 3 227.396 1.304 10 0 BDAEHO COCC[C@H](C)N1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757125574 582500589 /nfs/dbraw/zinc/50/05/89/582500589.db2.gz FCECGHDMALYVJJ-MELADBBJSA-N 1 3 240.391 1.875 10 0 BDAEHO COCC[C@H](C)[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757125574 582500590 /nfs/dbraw/zinc/50/05/90/582500590.db2.gz FCECGHDMALYVJJ-MELADBBJSA-N 1 3 240.391 1.875 10 0 BDAEHO COCC[C@H](C)[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757125574 582500591 /nfs/dbraw/zinc/50/05/91/582500591.db2.gz FCECGHDMALYVJJ-MELADBBJSA-N 1 3 240.391 1.875 10 0 BDAEHO C[C@H]1NCCC[C@]12CCC[N@@H+]2CCCF ZINC000757130794 582504675 /nfs/dbraw/zinc/50/46/75/582504675.db2.gz OCKQSXDDTRLZSL-NEPJUHHUSA-N 1 3 214.328 1.953 10 0 BDAEHO C[C@H]1NCCC[C@]12CCC[N@H+]2CCCF ZINC000757130794 582504677 /nfs/dbraw/zinc/50/46/77/582504677.db2.gz OCKQSXDDTRLZSL-NEPJUHHUSA-N 1 3 214.328 1.953 10 0 BDAEHO C1CC[C@@H]2[NH2+]C3(CCNCC3)OC[C@@H]2C1 ZINC000757138672 582518694 /nfs/dbraw/zinc/51/86/94/582518694.db2.gz CYVQUGFXWWUVOL-QWRGUYRKSA-N 1 3 210.321 1.245 10 0 BDAEHO CC[C@H](C)[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)OC ZINC000400729223 529248483 /nfs/dbraw/zinc/24/84/83/529248483.db2.gz QEMCKECTDRAIEK-RVMXOQNASA-N 1 3 228.380 1.635 10 0 BDAEHO CC(C)CN1CCN(c2ccccc2C[NH3+])CC1 ZINC000020266285 535106444 /nfs/dbraw/zinc/10/64/44/535106444.db2.gz UBEHJVYIUMZDPP-UHFFFAOYSA-N 1 3 247.386 1.923 10 0 BDAEHO C[C@H]1NCCC[C@@]12CCC[N@@H+]2CCCF ZINC000757130808 582504505 /nfs/dbraw/zinc/50/45/05/582504505.db2.gz OCKQSXDDTRLZSL-VXGBXAGGSA-N 1 3 214.328 1.953 10 0 BDAEHO C[C@H]1NCCC[C@@]12CCC[N@H+]2CCCF ZINC000757130808 582504507 /nfs/dbraw/zinc/50/45/07/582504507.db2.gz OCKQSXDDTRLZSL-VXGBXAGGSA-N 1 3 214.328 1.953 10 0 BDAEHO C[C@H]1CCC[C@@]2(C1)[NH2+]CCC1(CNC1)O2 ZINC000757145803 582528690 /nfs/dbraw/zinc/52/86/90/582528690.db2.gz ITJSANHGQJKLOV-CMPLNLGQSA-N 1 3 210.321 1.245 10 0 BDAEHO COC(=O)[C@H]1CCN[C@H](c2cccc(C[NH3+])c2)C1 ZINC000757210844 586439055 /nfs/dbraw/zinc/43/90/55/586439055.db2.gz HLIGWGRKOWWAEH-STQMWFEESA-N 1 3 248.326 1.359 10 0 BDAEHO CC(C)(C)n1cc([C@H]2CNC[C@H](C[NH3+])C2)cn1 ZINC000757237953 586443607 /nfs/dbraw/zinc/44/36/07/586443607.db2.gz QXFNNWFWUKRONR-WDEREUQCSA-N 1 3 236.363 1.290 10 0 BDAEHO CC(C)(C)n1cc([C@H]2C[NH2+]C[C@H](CN)C2)cn1 ZINC000757237953 586443609 /nfs/dbraw/zinc/44/36/09/586443609.db2.gz QXFNNWFWUKRONR-WDEREUQCSA-N 1 3 236.363 1.290 10 0 BDAEHO C[C@H]1C[N@H+](CCc2cccs2)C[C@H]1N ZINC000300050292 592501251 /nfs/dbraw/zinc/50/12/51/592501251.db2.gz YJAKJTKXJJIJDR-GXSJLCMTSA-N 1 3 210.346 1.570 10 0 BDAEHO C[C@H]1C[N@@H+](CCc2cccs2)C[C@H]1N ZINC000300050292 592501254 /nfs/dbraw/zinc/50/12/54/592501254.db2.gz YJAKJTKXJJIJDR-GXSJLCMTSA-N 1 3 210.346 1.570 10 0 BDAEHO C[C@H]1COCCN1CCCCCC[NH3+] ZINC000035776916 639923491 /nfs/dbraw/zinc/92/34/91/639923491.db2.gz BBZVDTFWSPTANJ-NSHDSACASA-N 1 3 200.326 1.226 10 0 BDAEHO COC[C@H](C)CN1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757132689 643257393 /nfs/dbraw/zinc/25/73/93/643257393.db2.gz RPUHSDKTTIIYPQ-MCIONIFRSA-N 1 3 240.391 1.733 10 0 BDAEHO COCC1CC([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000713930051 712473781 /nfs/dbraw/zinc/47/37/81/712473781.db2.gz ZDEBDNPSONXBKF-PYNQCMFNSA-N 1 3 226.364 1.519 10 0 BDAEHO CC1(C)CO[C@@H](CC[NH2+]C2CCNCC2)C1 ZINC000717271355 712642026 /nfs/dbraw/zinc/64/20/26/712642026.db2.gz RZAOCMXNZYNXSR-LBPRGKRZSA-N 1 3 226.364 1.533 10 0 BDAEHO C[C@@H]1CN(CCc2ccns2)C[C@@H]1C[NH3+] ZINC000719873056 712824844 /nfs/dbraw/zinc/82/48/44/712824844.db2.gz ONUJMEFTHBMYNM-ZJUUUORDSA-N 1 3 225.361 1.212 10 0 BDAEHO CO[C@H]1C[C@@H](NC2CC([NH+](C)C)C2)C12CCC2 ZINC000701483226 712024183 /nfs/dbraw/zinc/02/41/83/712024183.db2.gz OSKOLFBQUSDPAV-TUUUFIMRSA-N 1 3 238.375 1.626 10 0 BDAEHO Cc1ccccc1OCCN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708841592 712200829 /nfs/dbraw/zinc/20/08/29/712200829.db2.gz UFHSLZLURUIKSD-KBPBESRZSA-N 1 3 248.370 1.900 10 0 BDAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CSC1(C)C)[NH2+]2 ZINC000709344529 712220183 /nfs/dbraw/zinc/22/01/83/712220183.db2.gz JSQDOAPTQVFSOY-CSYMLDBXSA-N 1 3 240.416 1.999 10 0 BDAEHO C(C[C@@H]1C[C@H]1C1CC1)[NH2+]C1CCNCC1 ZINC000712670247 712440686 /nfs/dbraw/zinc/44/06/86/712440686.db2.gz XWQRJIHPGSFYLU-YPMHNXCESA-N 1 3 208.349 1.764 10 0 BDAEHO COCC1CC(N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000713976394 712475615 /nfs/dbraw/zinc/47/56/15/712475615.db2.gz FJQPJWPNDMHTTK-XKGSQUFQSA-N 1 3 212.337 1.142 10 0 BDAEHO C[N@H+](C[C@@H](O)CN)C[C@H]1CCCCC1(F)F ZINC000381724258 398254812 /nfs/dbraw/zinc/25/48/12/398254812.db2.gz RYIHNJBEZGSRDP-ZJUUUORDSA-N 1 3 236.306 1.063 10 0 BDAEHO C[N@@H+](C[C@@H](O)CN)C[C@H]1CCCCC1(F)F ZINC000381724258 398254814 /nfs/dbraw/zinc/25/48/14/398254814.db2.gz RYIHNJBEZGSRDP-ZJUUUORDSA-N 1 3 236.306 1.063 10 0 BDAEHO C[C@H]1OCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378756791 346824889 /nfs/dbraw/zinc/82/48/89/346824889.db2.gz YMSOLVLADSQKEY-FVCCEPFGSA-N 1 3 224.348 1.380 10 0 BDAEHO C[C@H]1OCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378756791 346824893 /nfs/dbraw/zinc/82/48/93/346824893.db2.gz YMSOLVLADSQKEY-FVCCEPFGSA-N 1 3 224.348 1.380 10 0 BDAEHO C/C(=[NH+]\c1cccc2c1CCNC2)N(C)C ZINC000100220758 342712521 /nfs/dbraw/zinc/71/25/21/342712521.db2.gz XDNXOWUHYKFHDD-XNTDXEJSSA-N 1 3 217.316 1.944 10 0 BDAEHO CCC(CC)[C@@H](C[NH3+])N1CCN(C(C)C)CC1 ZINC000036170839 168399094 /nfs/dbraw/zinc/39/90/94/168399094.db2.gz RNIWVTRZSUSIHA-CQSZACIVSA-N 1 3 241.423 1.776 10 0 BDAEHO C[C@@H](NCCc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000580312134 346893147 /nfs/dbraw/zinc/89/31/47/346893147.db2.gz PAOIPFJALVXHIZ-TZMCWYRMSA-N 1 3 233.359 1.602 10 0 BDAEHO C[C@@H]([NH2+]CCc1ccncc1)[C@@H]1CCCNC1 ZINC000580312134 346893148 /nfs/dbraw/zinc/89/31/48/346893148.db2.gz PAOIPFJALVXHIZ-TZMCWYRMSA-N 1 3 233.359 1.602 10 0 BDAEHO C[C@@H]([NH2+]C[C@H]1CCCNC1)C1CCOCC1 ZINC000235215006 342997630 /nfs/dbraw/zinc/99/76/30/342997630.db2.gz DJZAFYHVWXYSLD-NEPJUHHUSA-N 1 3 226.364 1.391 10 0 BDAEHO CC[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)C(C)(C)O ZINC000400425217 529666516 /nfs/dbraw/zinc/66/65/16/529666516.db2.gz YHKLFGGSOGHYAA-MXWKQRLJSA-N 1 3 214.353 1.124 10 0 BDAEHO CC(C)N1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000036170608 187259493 /nfs/dbraw/zinc/25/94/93/187259493.db2.gz RMXMHDLFCKFIBE-UHFFFAOYSA-N 1 3 247.386 1.671 10 0 BDAEHO CC(C)[N@@H+]1CC[C@@](CN)(N2CCC[C@H]2C)C1 ZINC000045658692 187269385 /nfs/dbraw/zinc/26/93/85/187269385.db2.gz VKUAMUAJVMKIDF-OLZOCXBDSA-N 1 3 225.380 1.282 10 0 BDAEHO CC(C)[N@H+]1CC[C@@](CN)(N2CCC[C@H]2C)C1 ZINC000045658692 187269387 /nfs/dbraw/zinc/26/93/87/187269387.db2.gz VKUAMUAJVMKIDF-OLZOCXBDSA-N 1 3 225.380 1.282 10 0 BDAEHO CC(C)N1CC[C@@](CN)([N@@H+]2CCC[C@H]2C)C1 ZINC000045658692 187269388 /nfs/dbraw/zinc/26/93/88/187269388.db2.gz VKUAMUAJVMKIDF-OLZOCXBDSA-N 1 3 225.380 1.282 10 0 BDAEHO CC(C)N1CC[C@@](CN)([N@H+]2CCC[C@H]2C)C1 ZINC000045658692 187269390 /nfs/dbraw/zinc/26/93/90/187269390.db2.gz VKUAMUAJVMKIDF-OLZOCXBDSA-N 1 3 225.380 1.282 10 0 BDAEHO CN1CCC[C@@H]([N@H+](C)[C@@](C)(CN)C2CC2)C1 ZINC000053205958 187271611 /nfs/dbraw/zinc/27/16/11/187271611.db2.gz IPHNKAYTLHIXTC-OLZOCXBDSA-N 1 3 225.380 1.140 10 0 BDAEHO CN1CCC[C@@H]([N@@H+](C)[C@@](C)(CN)C2CC2)C1 ZINC000053205958 187271613 /nfs/dbraw/zinc/27/16/13/187271613.db2.gz IPHNKAYTLHIXTC-OLZOCXBDSA-N 1 3 225.380 1.140 10 0 BDAEHO CN(C[C@@H]1CCCC[NH2+]1)[C@@H]1CCCN(C)C1 ZINC000053245396 187271163 /nfs/dbraw/zinc/27/11/63/187271163.db2.gz MNWWOGQJQFRRRW-QWHCGFSZSA-N 1 3 225.380 1.155 10 0 BDAEHO CN(CC1([NH3+])CCCC1)[C@@H]1CCCN(C)C1 ZINC000053247627 187271423 /nfs/dbraw/zinc/27/14/23/187271423.db2.gz ILXVEOGVOUGCET-GFCCVEGCSA-N 1 3 225.380 1.284 10 0 BDAEHO CN([C@@H]1CCCN(C)C1)[C@@H]1CCCC[NH2+]C1 ZINC000054135153 187272245 /nfs/dbraw/zinc/27/22/45/187272245.db2.gz IGRFCTBGUKBCNN-CHWSQXEVSA-N 1 3 225.380 1.155 10 0 BDAEHO FC(F)[C@H]1CC[N@@H+](C2CCNCC2)C1 ZINC000409427158 343799984 /nfs/dbraw/zinc/79/99/84/343799984.db2.gz JSJDAUQTRGRWPM-QMMMGPOBSA-N 1 3 204.264 1.325 10 0 BDAEHO FC(F)[C@H]1CC[N@H+](C2CCNCC2)C1 ZINC000409427158 343799985 /nfs/dbraw/zinc/79/99/85/343799985.db2.gz JSJDAUQTRGRWPM-QMMMGPOBSA-N 1 3 204.264 1.325 10 0 BDAEHO CCOC[C@@H]1C[N@H+](CCCN)CC12CCCC2 ZINC000409433362 343832272 /nfs/dbraw/zinc/83/22/72/343832272.db2.gz MPTLJRUTTWFAAO-ZDUSSCGKSA-N 1 3 240.391 1.864 10 0 BDAEHO CCOC[C@@H]1C[N@@H+](CCCN)CC12CCCC2 ZINC000409433362 343832276 /nfs/dbraw/zinc/83/22/76/343832276.db2.gz MPTLJRUTTWFAAO-ZDUSSCGKSA-N 1 3 240.391 1.864 10 0 BDAEHO CC(C)C[C@H]1CN(CCC[NH3+])CC[C@H]1O ZINC000409435540 343833805 /nfs/dbraw/zinc/83/38/05/343833805.db2.gz VIWHNHDQQDTRCI-NWDGAFQWSA-N 1 3 214.353 1.064 10 0 BDAEHO COC[C@]12CCC[C@H]1C[N@H+](CCCN)C2 ZINC000409436262 343838230 /nfs/dbraw/zinc/83/82/30/343838230.db2.gz YXFZTBPJGIGWEJ-NWDGAFQWSA-N 1 3 212.337 1.084 10 0 BDAEHO COC[C@]12CCC[C@H]1C[N@@H+](CCCN)C2 ZINC000409436262 343838233 /nfs/dbraw/zinc/83/82/33/343838233.db2.gz YXFZTBPJGIGWEJ-NWDGAFQWSA-N 1 3 212.337 1.084 10 0 BDAEHO C1C[C@@H]([NH+]2CCCCC2)[C@@H](N2CCNCC2)C1 ZINC000409439334 343846866 /nfs/dbraw/zinc/84/68/66/343846866.db2.gz GTZPOEMCPAMOOL-KGLIPLIRSA-N 1 3 237.391 1.299 10 0 BDAEHO CCSCC[N@@H+]1C[C@H](OC)C[C@]1(C)CN ZINC000600886921 344386272 /nfs/dbraw/zinc/38/62/72/344386272.db2.gz UPXORAGGYDOBHP-GHMZBOCLSA-N 1 3 232.393 1.178 10 0 BDAEHO CCSCC[N@H+]1C[C@H](OC)C[C@]1(C)CN ZINC000600886921 344386274 /nfs/dbraw/zinc/38/62/74/344386274.db2.gz UPXORAGGYDOBHP-GHMZBOCLSA-N 1 3 232.393 1.178 10 0 BDAEHO CS[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](CN)C1 ZINC000235122364 344804392 /nfs/dbraw/zinc/80/43/92/344804392.db2.gz WGHFUQMXIFQCRP-GARJFASQSA-N 1 3 214.378 1.551 10 0 BDAEHO CS[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](CN)C1 ZINC000235122364 344804394 /nfs/dbraw/zinc/80/43/94/344804394.db2.gz WGHFUQMXIFQCRP-GARJFASQSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@@H]1C[N@H+](C[C@H]2CCSC2)C[C@@H]1CN ZINC000634998601 345198421 /nfs/dbraw/zinc/19/84/21/345198421.db2.gz IFVKXWFXJCPTSG-MXWKQRLJSA-N 1 3 214.378 1.266 10 0 BDAEHO C[C@@H]1C[N@@H+](C[C@H]2CCSC2)C[C@@H]1CN ZINC000634998601 345198423 /nfs/dbraw/zinc/19/84/23/345198423.db2.gz IFVKXWFXJCPTSG-MXWKQRLJSA-N 1 3 214.378 1.266 10 0 BDAEHO COCCC1(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000571431593 323144600 /nfs/dbraw/zinc/14/46/00/323144600.db2.gz VLNWMJXXRDZCJP-QWHCGFSZSA-N 1 3 240.391 1.781 10 0 BDAEHO C[C@H](NCCc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000577267874 365909128 /nfs/dbraw/zinc/90/91/28/365909128.db2.gz PDKAGVVSBVSGFF-QWHCGFSZSA-N 1 3 233.359 1.602 10 0 BDAEHO CCN1CCC(C[NH3+])(C(=O)OC(C)(C)C)CC1 ZINC000725244642 537997984 /nfs/dbraw/zinc/99/79/84/537997984.db2.gz KZKQGGYLLIKNNG-UHFFFAOYSA-N 1 3 242.363 1.389 10 0 BDAEHO N[C@@H]1CCC[N@H+](C[C@H]2CCCS2)C1 ZINC000251415983 362872582 /nfs/dbraw/zinc/87/25/82/362872582.db2.gz RPZBZZXKFUFOES-NXEZZACHSA-N 1 3 200.351 1.305 10 0 BDAEHO N[C@@H]1CCC[N@@H+](C[C@H]2CCCS2)C1 ZINC000251415983 362872583 /nfs/dbraw/zinc/87/25/83/362872583.db2.gz RPZBZZXKFUFOES-NXEZZACHSA-N 1 3 200.351 1.305 10 0 BDAEHO CCSC1(CN[C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000596653603 348607074 /nfs/dbraw/zinc/60/70/74/348607074.db2.gz WGAFDCLSLGPWEG-QWRGUYRKSA-N 1 3 228.405 1.860 10 0 BDAEHO C[N@H+](CC1(N)CCCC1)[C@@H]1CCSC1 ZINC000037479616 348617694 /nfs/dbraw/zinc/61/76/94/348617694.db2.gz DLLCTIYKCYSFBZ-SNVBAGLBSA-N 1 3 214.378 1.695 10 0 BDAEHO C[N@@H+](CC1(N)CCCC1)[C@@H]1CCSC1 ZINC000037479616 348617695 /nfs/dbraw/zinc/61/76/95/348617695.db2.gz DLLCTIYKCYSFBZ-SNVBAGLBSA-N 1 3 214.378 1.695 10 0 BDAEHO C[C@H](NC1CCC([NH3+])CC1)c1nccn1C ZINC000070008247 490194043 /nfs/dbraw/zinc/19/40/43/490194043.db2.gz TUYDACBJPIHZJQ-WHXUTIOJSA-N 1 3 222.336 1.341 10 0 BDAEHO CC(C)C[C@H](CN(C)C)N[C@@H](C)C1C[NH2+]C1 ZINC000422717116 192440869 /nfs/dbraw/zinc/44/08/69/192440869.db2.gz OGIVESAQWRURFA-WCQYABFASA-N 1 3 227.396 1.160 10 0 BDAEHO C[C@@H]1C[N@@H+]([C@H]2CCNC[C@H]2C)CCS1 ZINC000307030639 351431879 /nfs/dbraw/zinc/43/18/79/351431879.db2.gz DNLWGMRFGHDXHV-MXWKQRLJSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@@H]1C[N@H+]([C@H]2CCNC[C@H]2C)CCS1 ZINC000307030639 351431881 /nfs/dbraw/zinc/43/18/81/351431881.db2.gz DNLWGMRFGHDXHV-MXWKQRLJSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@H]1[C@@H]([NH3+])CCN1C1CCSCC1 ZINC000307211422 351611802 /nfs/dbraw/zinc/61/18/02/351611802.db2.gz NTQPOSCUYBDDHI-WPRPVWTQSA-N 1 3 200.351 1.304 10 0 BDAEHO Cc1cnn(CCN[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000577739707 366047573 /nfs/dbraw/zinc/04/75/73/366047573.db2.gz BGRRBZZFCCZMSE-STQMWFEESA-N 1 3 236.363 1.169 10 0 BDAEHO Cc1cnn(CC[NH2+][C@@H](C)[C@H]2CCCNC2)c1 ZINC000577739707 366047580 /nfs/dbraw/zinc/04/75/80/366047580.db2.gz BGRRBZZFCCZMSE-STQMWFEESA-N 1 3 236.363 1.169 10 0 BDAEHO C[C@H]1C[C@H]([NH2+]C2CCNCC2)CS1 ZINC000307233310 351699841 /nfs/dbraw/zinc/69/98/41/351699841.db2.gz CMQUMJYZNZVGPF-WPRPVWTQSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@H]1C[C@H](NC2CC[NH2+]CC2)CS1 ZINC000307233310 351699842 /nfs/dbraw/zinc/69/98/42/351699842.db2.gz CMQUMJYZNZVGPF-WPRPVWTQSA-N 1 3 200.351 1.222 10 0 BDAEHO CS[C@@H]1CCCN([C@H]2CC[C@H]2C[NH3+])C1 ZINC000307253203 351783811 /nfs/dbraw/zinc/78/38/11/351783811.db2.gz UUGSFUIBMVXFIU-AXFHLTTASA-N 1 3 214.378 1.551 10 0 BDAEHO CS[C@@H]1CCC[N@@H+]([C@H]2CC[C@H]2CN)C1 ZINC000307253203 351783812 /nfs/dbraw/zinc/78/38/12/351783812.db2.gz UUGSFUIBMVXFIU-AXFHLTTASA-N 1 3 214.378 1.551 10 0 BDAEHO CS[C@@H]1CCC[N@H+]([C@H]2CC[C@H]2CN)C1 ZINC000307253203 351783814 /nfs/dbraw/zinc/78/38/14/351783814.db2.gz UUGSFUIBMVXFIU-AXFHLTTASA-N 1 3 214.378 1.551 10 0 BDAEHO CS[C@H]1CCCN(C2CC([NH3+])C2)C1 ZINC000307352146 352258569 /nfs/dbraw/zinc/25/85/69/352258569.db2.gz BSEJFKSVHPVXFL-RTBKNWGFSA-N 1 3 200.351 1.304 10 0 BDAEHO CC1(C)CN(CC2(C[NH3+])CC2)CCS1 ZINC000133358384 353413396 /nfs/dbraw/zinc/41/33/96/353413396.db2.gz DVKWLYBYGQJBGG-UHFFFAOYSA-N 1 3 214.378 1.553 10 0 BDAEHO CC1(C)C[N@H+](CC2(CN)CC2)CCS1 ZINC000133358384 353413399 /nfs/dbraw/zinc/41/33/99/353413399.db2.gz DVKWLYBYGQJBGG-UHFFFAOYSA-N 1 3 214.378 1.553 10 0 BDAEHO CC1(C)C[N@@H+](CC2(CN)CC2)CCS1 ZINC000133358384 353413402 /nfs/dbraw/zinc/41/34/02/353413402.db2.gz DVKWLYBYGQJBGG-UHFFFAOYSA-N 1 3 214.378 1.553 10 0 BDAEHO [NH3+]CC1(CNCc2ccccc2)CCC1 ZINC000168528897 355879144 /nfs/dbraw/zinc/87/91/44/355879144.db2.gz XPYIRBJXWYWQAJ-UHFFFAOYSA-N 1 3 204.317 1.905 10 0 BDAEHO NCC1(C[NH2+]Cc2ccccc2)CCC1 ZINC000168528897 355879146 /nfs/dbraw/zinc/87/91/46/355879146.db2.gz XPYIRBJXWYWQAJ-UHFFFAOYSA-N 1 3 204.317 1.905 10 0 BDAEHO CO[C@@H]1CCC[C@@H](C2=C[C@@H]([NH3+])CNC2)C1 ZINC000675079081 538518121 /nfs/dbraw/zinc/51/81/21/538518121.db2.gz VRYATGLTLPDFGY-YUSALJHKSA-N 1 3 210.321 1.049 10 0 BDAEHO CCCN(C)[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080510 538519620 /nfs/dbraw/zinc/51/96/20/538519620.db2.gz SGOZIZRFZGRWIC-GHMZBOCLSA-N 1 3 212.337 1.225 10 0 BDAEHO CCN(CC)[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080228 538519780 /nfs/dbraw/zinc/51/97/80/538519780.db2.gz PMEHVAACLHMYFC-MNOVXSKESA-N 1 3 212.337 1.225 10 0 BDAEHO CO[C@H](C)[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000389735335 357022089 /nfs/dbraw/zinc/02/20/89/357022089.db2.gz UGGZIKUHPCUSPK-WRWGMCAJSA-N 1 3 214.353 1.327 10 0 BDAEHO CO[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000389735335 357022091 /nfs/dbraw/zinc/02/20/91/357022091.db2.gz UGGZIKUHPCUSPK-WRWGMCAJSA-N 1 3 214.353 1.327 10 0 BDAEHO C[C@@H]1C[C@H](N2CCC[C@@H]2C[NH3+])CS1 ZINC000168799303 357236791 /nfs/dbraw/zinc/23/67/91/357236791.db2.gz CJWDONXLTOOBBX-BBBLOLIVSA-N 1 3 200.351 1.304 10 0 BDAEHO NCc1csc(-c2cccc(C[NH3+])c2)n1 ZINC000685948257 538890494 /nfs/dbraw/zinc/89/04/94/538890494.db2.gz DOPRTWXPMZSGLM-UHFFFAOYSA-N 1 3 219.313 1.728 10 0 BDAEHO C[C@@H]1CCC[N@@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685950935 538894616 /nfs/dbraw/zinc/89/46/16/538894616.db2.gz IPOPEUXOCIBEIZ-NDBYEHHHSA-N 1 3 210.365 1.962 10 0 BDAEHO C[C@@H]1CCC[N@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685950935 538894617 /nfs/dbraw/zinc/89/46/17/538894617.db2.gz IPOPEUXOCIBEIZ-NDBYEHHHSA-N 1 3 210.365 1.962 10 0 BDAEHO COC[C@H](CCC[NH3+])N[C@@H](C)c1ccc(C)o1 ZINC000234802059 357830783 /nfs/dbraw/zinc/83/07/83/357830783.db2.gz JGINEWINQCGPLN-RYUDHWBXSA-N 1 3 240.347 1.993 10 0 BDAEHO C[C@H]1CSC[C@]1(C[NH3+])N1CCCC1 ZINC000306200514 359028773 /nfs/dbraw/zinc/02/87/73/359028773.db2.gz LRNXVIFXCUMUOP-UWVGGRQHSA-N 1 3 200.351 1.163 10 0 BDAEHO [NH3+]C1CCC(NCC(=O)c2ccccn2)CC1 ZINC000095077203 181341111 /nfs/dbraw/zinc/34/11/11/181341111.db2.gz JPMHHLKOXLFJQE-UHFFFAOYSA-N 1 3 233.315 1.124 10 0 BDAEHO [NH3+]CC1(N2CCCOCC2)CCCCCC1 ZINC000061916642 181359941 /nfs/dbraw/zinc/35/99/41/181359941.db2.gz RENLVPBFPUTLKF-UHFFFAOYSA-N 1 3 226.364 1.760 10 0 BDAEHO C[C@H](F)CC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000573830810 364926457 /nfs/dbraw/zinc/92/64/57/364926457.db2.gz CIBMVDYSMZREAX-DCAQKATOSA-N 1 3 202.317 1.712 10 0 BDAEHO CC[C@@H]1CN(C[C@H]2C[C@H]([NH3+])C2)C[C@H](CC)O1 ZINC000675054323 541434068 /nfs/dbraw/zinc/43/40/68/541434068.db2.gz RYHWXEQAKKPQEB-ROTMJFINSA-N 1 3 226.364 1.613 10 0 BDAEHO CO[C@H](C)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](N)C1 ZINC000252943372 368168390 /nfs/dbraw/zinc/16/83/90/368168390.db2.gz KMGBGAOPMDHDBA-YTWAJWBKSA-N 1 3 200.326 1.079 10 0 BDAEHO CO[C@H](C)[C@H](C)[N@H+]1C[C@H](C)C[C@H](N)C1 ZINC000252943372 368168396 /nfs/dbraw/zinc/16/83/96/368168396.db2.gz KMGBGAOPMDHDBA-YTWAJWBKSA-N 1 3 200.326 1.079 10 0 BDAEHO C[C@H]1CN(CCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631836569 369077797 /nfs/dbraw/zinc/07/77/97/369077797.db2.gz BRDXYKONKARCCD-ZFWWWQNUSA-N 1 3 248.370 1.730 10 0 BDAEHO CC(C)CCOCCN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841834 369358677 /nfs/dbraw/zinc/35/86/77/369358677.db2.gz QPKXXJWCSCLMEJ-STQMWFEESA-N 1 3 228.380 1.576 10 0 BDAEHO [NH3+]C[C@H]1CCCCN(C2CSC2)C1 ZINC000215781574 371629095 /nfs/dbraw/zinc/62/90/95/371629095.db2.gz YLGDKIBAJCRUIE-SECBINFHSA-N 1 3 200.351 1.163 10 0 BDAEHO [NH3+]CCCN(CCCCO)Cc1ccccc1 ZINC000230030360 371638062 /nfs/dbraw/zinc/63/80/62/371638062.db2.gz MSZQFPBPTQOGGV-UHFFFAOYSA-N 1 3 236.359 1.610 10 0 BDAEHO NC[C@@H]1CC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000216495743 371759694 /nfs/dbraw/zinc/75/96/94/371759694.db2.gz FIYXWAYSURVQEF-VHSXEESVSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@@H]1CC[N@H+]([C@@H]2CCCSC2)C1 ZINC000216495743 371759699 /nfs/dbraw/zinc/75/96/99/371759699.db2.gz FIYXWAYSURVQEF-VHSXEESVSA-N 1 3 200.351 1.163 10 0 BDAEHO C([C@@H]1CSCCS1)[N@@H+]1CCCNCC1 ZINC000229652277 372177691 /nfs/dbraw/zinc/17/76/91/372177691.db2.gz SSZKAYMTGOLEAW-SNVBAGLBSA-N 1 3 232.418 1.130 10 0 BDAEHO C([C@@H]1CSCCS1)[N@H+]1CCCNCC1 ZINC000229652277 372177694 /nfs/dbraw/zinc/17/76/94/372177694.db2.gz SSZKAYMTGOLEAW-SNVBAGLBSA-N 1 3 232.418 1.130 10 0 BDAEHO CC(C)[C@H](C)N1CCC([NH2+]CCO)CC1 ZINC000631862984 372665063 /nfs/dbraw/zinc/66/50/63/372665063.db2.gz VWLFPDQRYUKKSQ-NSHDSACASA-N 1 3 214.353 1.077 10 0 BDAEHO CC(C)(C)OC(=O)N1CCC([NH3+])(CCN)CC1 ZINC000142703454 373845435 /nfs/dbraw/zinc/84/54/35/373845435.db2.gz FEBXDKKNYMKCQQ-UHFFFAOYSA-N 1 3 243.351 1.064 10 0 BDAEHO CC(C)(C)OC(=O)N1CCC(N)(CC[NH3+])CC1 ZINC000142703454 373845439 /nfs/dbraw/zinc/84/54/39/373845439.db2.gz FEBXDKKNYMKCQQ-UHFFFAOYSA-N 1 3 243.351 1.064 10 0 BDAEHO OC[C@@H](C1CCCCC1)N1CCC[NH2+]CC1 ZINC000038117374 183103574 /nfs/dbraw/zinc/10/35/74/183103574.db2.gz MERPQIGQKRGEKK-ZDUSSCGKSA-N 1 3 226.364 1.223 10 0 BDAEHO CCCN(CC[NH2+][C@H](C)C(C)C)CCN(C)C ZINC000053436101 169160268 /nfs/dbraw/zinc/16/02/68/169160268.db2.gz JUVFNJLEJAFLPT-CQSZACIVSA-N 1 3 243.439 1.894 10 0 BDAEHO CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000071314988 169181955 /nfs/dbraw/zinc/18/19/55/169181955.db2.gz ZQWHQGUVLKDTEG-ZIAGYGMSSA-N 1 3 237.391 1.297 10 0 BDAEHO CCC[NH2+]CC[C@@H](C)N1CCN(CCC)CC1 ZINC000052422111 169260754 /nfs/dbraw/zinc/26/07/54/169260754.db2.gz QTRVYGXDHHNYGT-CQSZACIVSA-N 1 3 241.423 1.792 10 0 BDAEHO CCC[NH2+]C[C@@H](C)N(CCN(C)C)CC(C)C ZINC000052503263 169261384 /nfs/dbraw/zinc/26/13/84/169261384.db2.gz PQFMVIYSQZGKLQ-CQSZACIVSA-N 1 3 243.439 1.894 10 0 BDAEHO CCC[NH2+][C@@H]1CCCC[C@@H]1CN(CC)CCO ZINC000053858510 169282365 /nfs/dbraw/zinc/28/23/65/169282365.db2.gz ZBQPPKUBDOXSCS-ZIAGYGMSSA-N 1 3 242.407 1.859 10 0 BDAEHO CCC[C@@H](C[NH3+])N1CCN(C[C@H](C)CC)CC1 ZINC000104068089 169383592 /nfs/dbraw/zinc/38/35/92/169383592.db2.gz GFYBOTDSUXQTSP-KGLIPLIRSA-N 1 3 241.423 1.778 10 0 BDAEHO CCC[C@@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188736340 169390106 /nfs/dbraw/zinc/39/01/06/169390106.db2.gz KXLULBSGRILKJE-CYBMUJFWSA-N 1 3 247.342 1.033 10 0 BDAEHO CCC[C@@H](CCO)C[NH2+][C@@H]1CCCNCC1 ZINC000227417125 134380782 /nfs/dbraw/zinc/38/07/82/134380782.db2.gz WERNYQHKESURDM-QWHCGFSZSA-N 1 3 228.380 1.517 10 0 BDAEHO [NH3+][C@H]1CCCC[C@@H]1CN1CCSCC1 ZINC000060743756 383840066 /nfs/dbraw/zinc/84/00/66/383840066.db2.gz XAWAUWTUQHTTTN-MNOVXSKESA-N 1 3 214.378 1.553 10 0 BDAEHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000068590919 384002193 /nfs/dbraw/zinc/00/21/93/384002193.db2.gz CZRLDAXSBGABDL-UONOGXRCSA-N 1 3 218.344 1.946 10 0 BDAEHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1 ZINC000068590919 384002197 /nfs/dbraw/zinc/00/21/97/384002197.db2.gz CZRLDAXSBGABDL-UONOGXRCSA-N 1 3 218.344 1.946 10 0 BDAEHO C[C@H]1C[C@H](NC2=[NH+]CCS2)CCN1C ZINC000158710781 384129335 /nfs/dbraw/zinc/12/93/35/384129335.db2.gz LMCODEDACMHMAB-DTWKUNHWSA-N 1 3 213.350 1.162 10 0 BDAEHO C[C@H](NC[C@H]1Cc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400419761 384262164 /nfs/dbraw/zinc/26/21/64/384262164.db2.gz WOOKRZCMNBKLTJ-FPMFFAJLSA-N 1 3 230.355 1.914 10 0 BDAEHO [NH3+]C[C@H]1CCCN([C@@H]2CCSC2)C1 ZINC000044527810 384342192 /nfs/dbraw/zinc/34/21/92/384342192.db2.gz PAIBBRIUDWCNKT-NXEZZACHSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@H]1CCC[N@@H+]([C@@H]2CCSC2)C1 ZINC000044527810 384342198 /nfs/dbraw/zinc/34/21/98/384342198.db2.gz PAIBBRIUDWCNKT-NXEZZACHSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@H]1CCC[N@H+]([C@@H]2CCSC2)C1 ZINC000044527810 384342205 /nfs/dbraw/zinc/34/22/05/384342205.db2.gz PAIBBRIUDWCNKT-NXEZZACHSA-N 1 3 200.351 1.163 10 0 BDAEHO FC1(F)CCC[C@H]1C[NH2+]C1CCNCC1 ZINC000335659922 384461617 /nfs/dbraw/zinc/46/16/17/384461617.db2.gz AMCQFBGLYBUWBG-VIFPVBQESA-N 1 3 218.291 1.763 10 0 BDAEHO FC1(F)CCC[C@H]1CNC1CC[NH2+]CC1 ZINC000335659922 384461622 /nfs/dbraw/zinc/46/16/22/384461622.db2.gz AMCQFBGLYBUWBG-VIFPVBQESA-N 1 3 218.291 1.763 10 0 BDAEHO [NH3+]C[C@@]1(N2CCCC2)CCCSC1 ZINC000061589828 384519900 /nfs/dbraw/zinc/51/99/00/384519900.db2.gz ZQECYILXRYFKCO-JTQLQIEISA-N 1 3 200.351 1.307 10 0 BDAEHO CCC[C@H](CN[C@H]1CCC[NH2+]CC1)OC ZINC000356317496 384626449 /nfs/dbraw/zinc/62/64/49/384626449.db2.gz DXENGOWTEQOAIK-NWDGAFQWSA-N 1 3 214.353 1.533 10 0 BDAEHO C([C@H]1CCC[NH2+]C1)N1CCC[C@@H]2COC[C@@H]21 ZINC000647551805 384754009 /nfs/dbraw/zinc/75/40/09/384754009.db2.gz NFUJICSCQDGWMR-XQQFMLRXSA-N 1 3 224.348 1.097 10 0 BDAEHO NC[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000044528082 385310397 /nfs/dbraw/zinc/31/03/97/385310397.db2.gz AUSQBAHHDALNEV-JTQLQIEISA-N 1 3 214.378 1.553 10 0 BDAEHO NC[C@@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000044528082 385310400 /nfs/dbraw/zinc/31/04/00/385310400.db2.gz AUSQBAHHDALNEV-JTQLQIEISA-N 1 3 214.378 1.553 10 0 BDAEHO [NH3+]C[C@@H]1CCCN(C2CCSCC2)C1 ZINC000044528082 385310403 /nfs/dbraw/zinc/31/04/03/385310403.db2.gz AUSQBAHHDALNEV-JTQLQIEISA-N 1 3 214.378 1.553 10 0 BDAEHO C[C@@H]1CC[C@@H](N)C[N@@H+]1[C@H]1CCSC1 ZINC000575480272 387168803 /nfs/dbraw/zinc/16/88/03/387168803.db2.gz HSFOMFYBYVWCCI-BBBLOLIVSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1CC[C@@H](N)C[N@H+]1[C@H]1CCSC1 ZINC000575480272 387168806 /nfs/dbraw/zinc/16/88/06/387168806.db2.gz HSFOMFYBYVWCCI-BBBLOLIVSA-N 1 3 200.351 1.304 10 0 BDAEHO N[C@@H](CCC[NH3+])c1cccc2c1OCO2 ZINC000575440377 387133797 /nfs/dbraw/zinc/13/37/97/387133797.db2.gz RDQOWFIQTNGPMT-VIFPVBQESA-N 1 3 208.261 1.154 10 0 BDAEHO C[NH2+][C@H]1CO[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000575508170 387369838 /nfs/dbraw/zinc/36/98/38/387369838.db2.gz OOMUTXJGFMZXGF-HUUCEWRRSA-N 1 3 246.354 1.639 10 0 BDAEHO C[C@@H](C[NH2+][C@H]1CCNC1)CC(F)(F)F ZINC000396923426 387515142 /nfs/dbraw/zinc/51/51/42/387515142.db2.gz POKPFQBOBZAMTQ-SFYZADRCSA-N 1 3 210.243 1.526 10 0 BDAEHO C[C@H](NCCN1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000643456762 387692302 /nfs/dbraw/zinc/69/23/02/387692302.db2.gz WWRGXHUBBQVPMT-STQMWFEESA-N 1 3 225.380 1.060 10 0 BDAEHO C[C@@H](NCCN1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643456759 387692386 /nfs/dbraw/zinc/69/23/86/387692386.db2.gz WWRGXHUBBQVPMT-CHWSQXEVSA-N 1 3 225.380 1.060 10 0 BDAEHO C[C@@H]([NH2+]CC1(CO)CCC1)[C@H]1CCCNC1 ZINC000643480619 387936185 /nfs/dbraw/zinc/93/61/85/387936185.db2.gz IBQXRAVOAAXYBA-NEPJUHHUSA-N 1 3 226.364 1.127 10 0 BDAEHO C[C@@H](NCC1(CO)CCC1)[C@H]1CCC[NH2+]C1 ZINC000643480619 387936190 /nfs/dbraw/zinc/93/61/90/387936190.db2.gz IBQXRAVOAAXYBA-NEPJUHHUSA-N 1 3 226.364 1.127 10 0 BDAEHO C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000307513251 388424645 /nfs/dbraw/zinc/42/46/45/388424645.db2.gz YSOWIHGUSLBKBL-OUAUKWLOSA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@@H]1CSC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000307513251 388424647 /nfs/dbraw/zinc/42/46/47/388424647.db2.gz YSOWIHGUSLBKBL-OUAUKWLOSA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@@H]1CN(CCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000631842926 388610768 /nfs/dbraw/zinc/61/07/68/388610768.db2.gz HMBYCCJLCRYWGS-OLZOCXBDSA-N 1 3 234.343 1.592 10 0 BDAEHO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)[C@H]1CCCNC1 ZINC000530225577 388635939 /nfs/dbraw/zinc/63/59/39/388635939.db2.gz OMRICHGTYBYXQR-QUGYJXMDSA-N 1 3 240.391 1.776 10 0 BDAEHO C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000530225577 388635940 /nfs/dbraw/zinc/63/59/40/388635940.db2.gz OMRICHGTYBYXQR-QUGYJXMDSA-N 1 3 240.391 1.776 10 0 BDAEHO Cc1cccc(CCN[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000564714128 388886256 /nfs/dbraw/zinc/88/62/56/388886256.db2.gz VRPTVORUFPEGSU-KBPBESRZSA-N 1 3 247.386 1.910 10 0 BDAEHO C[C@@H](NCC1(CO)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000564826521 388891638 /nfs/dbraw/zinc/89/16/38/388891638.db2.gz RVFPVBRUODNSJV-CHWSQXEVSA-N 1 3 240.391 1.517 10 0 BDAEHO C[C@@H]([NH2+]CC1(CO)CCCC1)[C@@H]1CCCNC1 ZINC000564826521 388891633 /nfs/dbraw/zinc/89/16/33/388891633.db2.gz RVFPVBRUODNSJV-CHWSQXEVSA-N 1 3 240.391 1.517 10 0 BDAEHO CC(C)C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000566090799 388984740 /nfs/dbraw/zinc/98/47/40/388984740.db2.gz OWDXABWRDAZORL-YNEHKIRRSA-N 1 3 228.380 1.371 10 0 BDAEHO CC(C)C[C@H](CO)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566090799 388984744 /nfs/dbraw/zinc/98/47/44/388984744.db2.gz OWDXABWRDAZORL-YNEHKIRRSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@H](N[C@@H]1COCC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000566088987 388986151 /nfs/dbraw/zinc/98/61/51/388986151.db2.gz XZEAJAATBPJTHD-QJPTWQEYSA-N 1 3 226.364 1.389 10 0 BDAEHO C[C@H]([NH2+][C@@H]1COCC1(C)C)[C@@H]1CCCNC1 ZINC000566088987 388986154 /nfs/dbraw/zinc/98/61/54/388986154.db2.gz XZEAJAATBPJTHD-QJPTWQEYSA-N 1 3 226.364 1.389 10 0 BDAEHO C[C@@H](NCCOc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400736784 533401034 /nfs/dbraw/zinc/40/10/34/533401034.db2.gz KCQIJEWOSPBMOP-OLZOCXBDSA-N 1 3 234.343 1.653 10 0 BDAEHO CSC1(CN[C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400432175 533511371 /nfs/dbraw/zinc/51/13/71/533511371.db2.gz CCUYECKPFQLKSM-VHSXEESVSA-N 1 3 214.378 1.470 10 0 BDAEHO CC[C@H](C)CN1CCN(c2cc[nH+]cc2N)CC1 ZINC000050425209 132358910 /nfs/dbraw/zinc/35/89/10/132358910.db2.gz VFGINMNZGIYJII-LBPRGKRZSA-N 1 3 248.374 1.832 10 0 BDAEHO C[C@H]1CC[C@H](C[NH3+])CN1c1ccncc1 ZINC000053704329 132363092 /nfs/dbraw/zinc/36/30/92/132363092.db2.gz FIMGAULHRMOBKA-WDEREUQCSA-N 1 3 205.305 1.645 10 0 BDAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ccncc1 ZINC000053704331 132363237 /nfs/dbraw/zinc/36/32/37/132363237.db2.gz FIMGAULHRMOBKA-MNOVXSKESA-N 1 3 205.305 1.645 10 0 BDAEHO C[C@H]1CC[N@H+](CCCN2CCCC2)C[C@@H]1O ZINC000221432301 134324256 /nfs/dbraw/zinc/32/42/56/134324256.db2.gz WHTVQZKFMLVFOV-STQMWFEESA-N 1 3 226.364 1.175 10 0 BDAEHO C[C@H]1CC[N@@H+](CCCN2CCCC2)C[C@@H]1O ZINC000221432301 134324257 /nfs/dbraw/zinc/32/42/57/134324257.db2.gz WHTVQZKFMLVFOV-STQMWFEESA-N 1 3 226.364 1.175 10 0 BDAEHO CC(C)OCCCC[NH2+][C@@H]1CCCNCC1 ZINC000224969245 134352373 /nfs/dbraw/zinc/35/23/73/134352373.db2.gz HMURMGCPFCKXIS-CYBMUJFWSA-N 1 3 228.380 1.923 10 0 BDAEHO C[C@H]1CCN(CCC[NH+]2CCCC2)[C@H]1CO ZINC000248989070 135029526 /nfs/dbraw/zinc/02/95/26/135029526.db2.gz WVOCMTSQHRZRCL-STQMWFEESA-N 1 3 226.364 1.175 10 0 BDAEHO COCC(C)(C)C[N@@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000261968487 135267184 /nfs/dbraw/zinc/26/71/84/135267184.db2.gz QCMSBHVYWQTVSQ-LLVKDONJSA-N 1 3 228.380 1.718 10 0 BDAEHO COCC(C)(C)C[N@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000261968487 135267185 /nfs/dbraw/zinc/26/71/85/135267185.db2.gz QCMSBHVYWQTVSQ-LLVKDONJSA-N 1 3 228.380 1.718 10 0 BDAEHO C[C@H](CC1CCCC1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263251023 135342645 /nfs/dbraw/zinc/34/26/45/135342645.db2.gz PXMLRUYCYAEAMG-WXHSDQCUSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](CC1CCCC1)[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000263251023 135342646 /nfs/dbraw/zinc/34/26/46/135342646.db2.gz PXMLRUYCYAEAMG-WXHSDQCUSA-N 1 3 226.364 1.125 10 0 BDAEHO CC[C@H](C)[C@H](N)C[N@@H+]1CCCSCC1 ZINC000042444904 171396062 /nfs/dbraw/zinc/39/60/62/171396062.db2.gz HFSBMJYGEMMCLJ-WDEREUQCSA-N 1 3 216.394 1.799 10 0 BDAEHO CC[C@H](C)[C@H](N)C[N@H+]1CCCSCC1 ZINC000042444904 171396063 /nfs/dbraw/zinc/39/60/63/171396063.db2.gz HFSBMJYGEMMCLJ-WDEREUQCSA-N 1 3 216.394 1.799 10 0 BDAEHO CC(C)C[NH2+]CC[C@H](C)N1CCN(C)[C@H](C)C1 ZINC000104137338 167004961 /nfs/dbraw/zinc/00/49/61/167004961.db2.gz SDOQRCJYQMPGAU-UONOGXRCSA-N 1 3 241.423 1.647 10 0 BDAEHO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCCN ZINC000044374745 167031032 /nfs/dbraw/zinc/03/10/32/167031032.db2.gz NEPSBVIBLXMDKK-PBWFPOADSA-N 1 3 239.407 1.434 10 0 BDAEHO CC[NH2+]C(C)(C)CN1CCN(CC(C)C)CC1 ZINC000061299991 170107368 /nfs/dbraw/zinc/10/73/68/170107368.db2.gz NYBDNDOFXDOZDB-UHFFFAOYSA-N 1 3 241.423 1.648 10 0 BDAEHO CC[NH2+]C1CCN([C@H]2CCCN(C)C2)CC1 ZINC000040715851 170110034 /nfs/dbraw/zinc/11/00/34/170110034.db2.gz ILZKWBHEFLEALA-ZDUSSCGKSA-N 1 3 225.380 1.155 10 0 BDAEHO CC[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000032024431 170128089 /nfs/dbraw/zinc/12/80/89/170128089.db2.gz FGVFDRSQJJXWPO-UHFFFAOYSA-N 1 3 222.332 1.737 10 0 BDAEHO CC[NH2+][C@@H](C)CN(CCN(C)C)CC(C)C ZINC000044472598 170139184 /nfs/dbraw/zinc/13/91/84/170139184.db2.gz YZSPSVVFGYKSLZ-ZDUSSCGKSA-N 1 3 229.412 1.504 10 0 BDAEHO CC[NH2+][C@H]1CCC[C@@H]1CN1CCCN(C)CC1 ZINC000053863878 170167075 /nfs/dbraw/zinc/16/70/75/170167075.db2.gz LZTIQRWRVUESEI-KGLIPLIRSA-N 1 3 239.407 1.402 10 0 BDAEHO CC[C@@H]([NH2+]CCOCCN(C)C)C(C)(C)C ZINC000336681750 170895626 /nfs/dbraw/zinc/89/56/26/170895626.db2.gz DARVLRSGWONNOR-GFCCVEGCSA-N 1 3 230.396 1.979 10 0 BDAEHO CC[C@H](C)N1CCN(C2CC[NH2+]CC2)CC1 ZINC000019688679 171319390 /nfs/dbraw/zinc/31/93/90/171319390.db2.gz BNBQQLYRCARHBX-LBPRGKRZSA-N 1 3 225.380 1.155 10 0 BDAEHO CC[C@H](C)[NH2+]CCN1CCN(CC)CC1 ZINC000037479912 171340104 /nfs/dbraw/zinc/34/01/04/171340104.db2.gz NXMQSDLREVQJMJ-LBPRGKRZSA-N 1 3 213.369 1.012 10 0 BDAEHO CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680108 171371544 /nfs/dbraw/zinc/37/15/44/171371544.db2.gz FYDBLLLSVHWVDL-SDDRHHMPSA-N 1 3 243.395 1.206 10 0 BDAEHO CC[C@H](C)[C@H](CN)[N@H+](C)C1CCN(CC)CC1 ZINC000042615584 171392094 /nfs/dbraw/zinc/39/20/94/171392094.db2.gz AOGMBRYACZLKNP-JSGCOSHPSA-N 1 3 241.423 1.776 10 0 BDAEHO CC[C@H](C)[C@H](CN)[N@@H+](C)C1CCN(CC)CC1 ZINC000042615584 171392095 /nfs/dbraw/zinc/39/20/95/171392095.db2.gz AOGMBRYACZLKNP-JSGCOSHPSA-N 1 3 241.423 1.776 10 0 BDAEHO CC[C@H](C)[C@H](N)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000237042265 171396020 /nfs/dbraw/zinc/39/60/20/171396020.db2.gz JZFSRKSQRGXIGF-SRVKXCTJSA-N 1 3 243.395 1.206 10 0 BDAEHO CCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623407 412245865 /nfs/dbraw/zinc/24/58/65/412245865.db2.gz XRVDLKJHCYOAEI-QWRGUYRKSA-N 1 3 241.379 1.103 10 0 BDAEHO CCC[C@H](N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623407 412245869 /nfs/dbraw/zinc/24/58/69/412245869.db2.gz XRVDLKJHCYOAEI-QWRGUYRKSA-N 1 3 241.379 1.103 10 0 BDAEHO C[N@@H+]1CCC[C@@](CN)(c2cccs2)C1 ZINC000077304287 173036454 /nfs/dbraw/zinc/03/64/54/173036454.db2.gz SDKKOHVJZKPYEW-NSHDSACASA-N 1 3 210.346 1.670 10 0 BDAEHO C[N@H+]1CCC[C@@](CN)(c2cccs2)C1 ZINC000077304287 173036456 /nfs/dbraw/zinc/03/64/56/173036456.db2.gz SDKKOHVJZKPYEW-NSHDSACASA-N 1 3 210.346 1.670 10 0 BDAEHO C[N@@H+]1CC[C@@](CN)(Nc2ccccc2)C1 ZINC000082643357 173136842 /nfs/dbraw/zinc/13/68/42/173136842.db2.gz XLBBVWPHPLGKOU-LBPRGKRZSA-N 1 3 205.305 1.132 10 0 BDAEHO C[N@H+]1CC[C@@](CN)(Nc2ccccc2)C1 ZINC000082643357 173136844 /nfs/dbraw/zinc/13/68/44/173136844.db2.gz XLBBVWPHPLGKOU-LBPRGKRZSA-N 1 3 205.305 1.132 10 0 BDAEHO C[N@@H+]1CC[C@@](CN)(N2Cc3ccccc3C2)C1 ZINC000061990772 173136983 /nfs/dbraw/zinc/13/69/83/173136983.db2.gz PZKBHHSFSBOXNP-AWEZNQCLSA-N 1 3 231.343 1.035 10 0 BDAEHO C[N@H+]1CC[C@@](CN)(N2Cc3ccccc3C2)C1 ZINC000061990772 173136985 /nfs/dbraw/zinc/13/69/85/173136985.db2.gz PZKBHHSFSBOXNP-AWEZNQCLSA-N 1 3 231.343 1.035 10 0 BDAEHO CN(Cc1ccsc1)[C@@]1(CN)CC[N@H+](C)C1 ZINC000061990247 173162185 /nfs/dbraw/zinc/16/21/85/173162185.db2.gz IJIIJJLXXSDULZ-GFCCVEGCSA-N 1 3 239.388 1.213 10 0 BDAEHO CN(Cc1ccsc1)[C@@]1(CN)CC[N@@H+](C)C1 ZINC000061990247 173162187 /nfs/dbraw/zinc/16/21/87/173162187.db2.gz IJIIJJLXXSDULZ-GFCCVEGCSA-N 1 3 239.388 1.213 10 0 BDAEHO CNCc1cccnc1N(C)CC[NH+]1CCCC1 ZINC000063053911 173390431 /nfs/dbraw/zinc/39/04/31/173390431.db2.gz RSXNRGVNJYJNAC-UHFFFAOYSA-N 1 3 248.374 1.333 10 0 BDAEHO COC1CCN(Cc2occc2C[NH3+])CC1 ZINC000052455236 174030070 /nfs/dbraw/zinc/03/00/70/174030070.db2.gz ZTDVQEXQXFZEEW-UHFFFAOYSA-N 1 3 224.304 1.349 10 0 BDAEHO COCCCN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000031994548 174230730 /nfs/dbraw/zinc/23/07/30/174230730.db2.gz YWOVKUMHWPADDD-ZDUSSCGKSA-N 1 3 226.364 1.489 10 0 BDAEHO COCCC[N@@H+]1CCC[C@]2(CCCNC2)C1 ZINC000031994548 174230731 /nfs/dbraw/zinc/23/07/31/174230731.db2.gz YWOVKUMHWPADDD-ZDUSSCGKSA-N 1 3 226.364 1.489 10 0 BDAEHO COCCC[N@H+]1CCC[C@]2(CCCNC2)C1 ZINC000031994548 174230732 /nfs/dbraw/zinc/23/07/32/174230732.db2.gz YWOVKUMHWPADDD-ZDUSSCGKSA-N 1 3 226.364 1.489 10 0 BDAEHO C[C@@H]1CCCCN1CCC[N@@H+]1CC[C@@H](CO)C1 ZINC000224464276 176070291 /nfs/dbraw/zinc/07/02/91/176070291.db2.gz USNLPSRFNIQQTD-ZIAGYGMSSA-N 1 3 240.391 1.565 10 0 BDAEHO C[C@@H]1CCCCN1CCC[N@H+]1CC[C@@H](CO)C1 ZINC000224464276 176070293 /nfs/dbraw/zinc/07/02/93/176070293.db2.gz USNLPSRFNIQQTD-ZIAGYGMSSA-N 1 3 240.391 1.565 10 0 BDAEHO C[C@@H]1CCCN([C@]2(C[NH3+])CCN(C3CC3)C2)C1 ZINC000061990020 176103650 /nfs/dbraw/zinc/10/36/50/176103650.db2.gz SIJPBLFDFIDMLP-OCCSQVGLSA-N 1 3 237.391 1.284 10 0 BDAEHO C[C@@H]1CCC[C@@](CN)([N@@H+]2CCCN(C)CC2)C1 ZINC000020217713 176133392 /nfs/dbraw/zinc/13/33/92/176133392.db2.gz JZHFXBGRKQLENN-ZIAGYGMSSA-N 1 3 239.407 1.532 10 0 BDAEHO C[C@@H]1CCC[C@@](CN)([N@H+]2CCCN(C)CC2)C1 ZINC000020217713 176133393 /nfs/dbraw/zinc/13/33/93/176133393.db2.gz JZHFXBGRKQLENN-ZIAGYGMSSA-N 1 3 239.407 1.532 10 0 BDAEHO C[C@@H]1C[N@H+](CC2(CN)CCCC2)CCCO1 ZINC000061934215 176285256 /nfs/dbraw/zinc/28/52/56/176285256.db2.gz LRAUDRQAESVXTJ-GFCCVEGCSA-N 1 3 226.364 1.616 10 0 BDAEHO C[C@@H]1C[N@@H+](CC2(CN)CCCC2)CCCO1 ZINC000061934215 176285257 /nfs/dbraw/zinc/28/52/57/176285257.db2.gz LRAUDRQAESVXTJ-GFCCVEGCSA-N 1 3 226.364 1.616 10 0 BDAEHO C[C@@H]1CN(CC2(C[NH3+])CCCC2)CCCO1 ZINC000061934215 176285258 /nfs/dbraw/zinc/28/52/58/176285258.db2.gz LRAUDRQAESVXTJ-GFCCVEGCSA-N 1 3 226.364 1.616 10 0 BDAEHO C[C@@H]1CN(CCC[C@@H]2CCC[NH2+]C2)CCN1C ZINC000104349858 176289214 /nfs/dbraw/zinc/28/92/14/176289214.db2.gz WUYGOGVQPRPYOO-KGLIPLIRSA-N 1 3 239.407 1.402 10 0 BDAEHO C[C@H]1CCN(Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071267746 177164053 /nfs/dbraw/zinc/16/40/53/177164053.db2.gz VEZGUTKUBPSWHO-VIFPVBQESA-N 1 3 235.306 1.952 10 0 BDAEHO C[C@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000216416620 177238718 /nfs/dbraw/zinc/23/87/18/177238718.db2.gz GHCXEMQIRXBZSB-NHCYSSNCSA-N 1 3 222.336 1.228 10 0 BDAEHO C[C@H]1CN(CC2CCC([NH3+])CC2)CCO1 ZINC000037482383 177245687 /nfs/dbraw/zinc/24/56/87/177245687.db2.gz PVOMQSQQSFECED-UNXYVOJBSA-N 1 3 212.337 1.225 10 0 BDAEHO C[C@H]1CSC(NC[C@@H]2CCN(C)C2)=[NH+]1 ZINC000037485238 177302659 /nfs/dbraw/zinc/30/26/59/177302659.db2.gz MLBNXSIDYPKPNR-IUCAKERBSA-N 1 3 213.350 1.019 10 0 BDAEHO C[C@H](CN1CCCCC1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361765 225096754 /nfs/dbraw/zinc/09/67/54/225096754.db2.gz QHEDAYRDLOOGHW-HZSPNIEDSA-N 1 3 239.407 1.448 10 0 BDAEHO COCC(C)(C)CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400354913 226341883 /nfs/dbraw/zinc/34/18/83/226341883.db2.gz LSUKSMXWXMJFCA-WDEREUQCSA-N 1 3 214.353 1.247 10 0 BDAEHO C[C@H](N[C@@H]1COc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000400509981 226345146 /nfs/dbraw/zinc/34/51/46/226345146.db2.gz LGSWYHXZDPBWRU-YUTCNCBUSA-N 1 3 246.354 1.578 10 0 BDAEHO C[C@@H](NCCc1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000400527157 226345799 /nfs/dbraw/zinc/34/57/99/226345799.db2.gz QLXFIUWIJYFEHI-YPMHNXCESA-N 1 3 236.334 1.956 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@@H]1CCC[NH2+]CC1 ZINC000324619842 262792863 /nfs/dbraw/zinc/79/28/63/262792863.db2.gz PLDOJZMXNANDOL-GHMZBOCLSA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCCNCC1 ZINC000324619842 262792864 /nfs/dbraw/zinc/79/28/64/262792864.db2.gz PLDOJZMXNANDOL-GHMZBOCLSA-N 1 3 214.353 1.125 10 0 BDAEHO OCC[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000300215277 487772290 /nfs/dbraw/zinc/77/22/90/487772290.db2.gz VYXXIGQJYFKZDW-OLZOCXBDSA-N 1 3 226.364 1.080 10 0 BDAEHO OCC[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000300215277 487772293 /nfs/dbraw/zinc/77/22/93/487772293.db2.gz VYXXIGQJYFKZDW-OLZOCXBDSA-N 1 3 226.364 1.080 10 0 BDAEHO OCC[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000300215277 487772294 /nfs/dbraw/zinc/77/22/94/487772294.db2.gz VYXXIGQJYFKZDW-OLZOCXBDSA-N 1 3 226.364 1.080 10 0 BDAEHO C[C@@H](NCCOC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000569918724 323044317 /nfs/dbraw/zinc/04/43/17/323044317.db2.gz MWNGUVZRWXXNLH-BDAKNGLRSA-N 1 3 240.269 1.501 10 0 BDAEHO C[C@@H]([NH2+]CCOC(F)(F)F)[C@H]1CCCNC1 ZINC000569918724 323044318 /nfs/dbraw/zinc/04/43/18/323044318.db2.gz MWNGUVZRWXXNLH-BDAKNGLRSA-N 1 3 240.269 1.501 10 0 BDAEHO COCCC1(C[NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000571431592 323144623 /nfs/dbraw/zinc/14/46/23/323144623.db2.gz VLNWMJXXRDZCJP-OLZOCXBDSA-N 1 3 240.391 1.781 10 0 BDAEHO C[C@@H]([NH2+]CCCc1ccccn1)[C@H]1CCCNC1 ZINC000571669336 323177079 /nfs/dbraw/zinc/17/70/79/323177079.db2.gz HQAOJHAJFIFDCO-KGLIPLIRSA-N 1 3 247.386 1.992 10 0 BDAEHO C[C@@H](NCCCc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000571669336 323177080 /nfs/dbraw/zinc/17/70/80/323177080.db2.gz HQAOJHAJFIFDCO-KGLIPLIRSA-N 1 3 247.386 1.992 10 0 BDAEHO CCCN1CC[C@H](N[C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400756219 487986905 /nfs/dbraw/zinc/98/69/05/487986905.db2.gz XAMYSXOPQAWTNH-AVGNSLFASA-N 1 3 225.380 1.058 10 0 BDAEHO c1ccc2c(c1)OCC[C@@H]2CNC[C@@H]1CC[NH2+]C1 ZINC000398415492 488219390 /nfs/dbraw/zinc/21/93/90/488219390.db2.gz VUGBTLJFKKUUAJ-CHWSQXEVSA-N 1 3 246.354 1.752 10 0 BDAEHO C[C@H](NCC1(N(C)C)CCC1)[C@H]1CC[NH2+]C1 ZINC000400515197 533834172 /nfs/dbraw/zinc/83/41/72/533834172.db2.gz KJGSXJWNPURUCF-RYUDHWBXSA-N 1 3 225.380 1.058 10 0 BDAEHO C[C@H](NCCOC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400355983 533860580 /nfs/dbraw/zinc/86/05/80/533860580.db2.gz OMUABONOHQRPLK-STQMWFEESA-N 1 3 240.391 1.923 10 0 BDAEHO C[C@H](NCCc1ccco1)[C@@H]1CC[NH2+]C1 ZINC000400702049 533874496 /nfs/dbraw/zinc/87/44/96/533874496.db2.gz KFOCMDOFALTUPW-WDEREUQCSA-N 1 3 208.305 1.410 10 0 BDAEHO COc1ccccc1CCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400486754 534047331 /nfs/dbraw/zinc/04/73/31/534047331.db2.gz XSLQUXZMQBIBIN-TZMCWYRMSA-N 1 3 248.370 1.825 10 0 BDAEHO CC(C)(C)N1CCN([C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000042461988 517376209 /nfs/dbraw/zinc/37/62/09/517376209.db2.gz VEJDIXUFYRDEDC-VXGBXAGGSA-N 1 3 225.380 1.282 10 0 BDAEHO CC(C)(C)C[C@H](O)CN[C@H]1CCC[NH2+]CC1 ZINC000226066203 534651186 /nfs/dbraw/zinc/65/11/86/534651186.db2.gz GXOHUCHONGBMCS-RYUDHWBXSA-N 1 3 228.380 1.515 10 0 BDAEHO CC(C)C[C@H](CN(C)C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400720589 528502401 /nfs/dbraw/zinc/50/24/01/528502401.db2.gz OGVDQHSTVGMRHD-MCIONIFRSA-N 1 3 241.423 1.693 10 0 BDAEHO CCCN1CCN(c2ccccc2C(N)=[NH2+])CC1 ZINC000020076124 534934933 /nfs/dbraw/zinc/93/49/33/534934933.db2.gz XKYIWKPJXHIXCT-UHFFFAOYSA-N 1 3 246.358 1.503 10 0 BDAEHO C[NH+](C)CCCN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252709015 535833811 /nfs/dbraw/zinc/83/38/11/535833811.db2.gz BTVRQRSFKSJMEO-KBPBESRZSA-N 1 3 240.391 1.565 10 0 BDAEHO CN1CCC[C@@H]1CC(=O)C[C@H]1CCC[N@@H+]1C ZINC000036456743 574414350 /nfs/dbraw/zinc/41/43/50/574414350.db2.gz ZEBIACKKLGVLFZ-VXGBXAGGSA-N 1 3 224.348 1.524 10 0 endogenous,in-man BDAEHO CN1CCC[C@@H]1CC(=O)C[C@H]1CCC[N@H+]1C ZINC000036456743 574414351 /nfs/dbraw/zinc/41/43/51/574414351.db2.gz ZEBIACKKLGVLFZ-VXGBXAGGSA-N 1 3 224.348 1.524 10 0 endogenous,in-man BDAEHO C[C@H]1C[C@H]1[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757124163 582499501 /nfs/dbraw/zinc/49/95/01/582499501.db2.gz BYFROMSCBQYATD-RVMXOQNASA-N 1 3 208.349 1.859 10 0 BDAEHO C[C@H]1C[C@H]1[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757124163 582499502 /nfs/dbraw/zinc/49/95/02/582499502.db2.gz BYFROMSCBQYATD-RVMXOQNASA-N 1 3 208.349 1.859 10 0 BDAEHO C1CC1[C@H]1CCOC2(CC[NH+](C3CC3)CC2)N1 ZINC000757145733 582528524 /nfs/dbraw/zinc/52/85/24/582528524.db2.gz QJHCMHAGJDPAOR-CYBMUJFWSA-N 1 3 236.359 1.729 10 0 BDAEHO CC(C)CN1CCN([C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396623677 583086770 /nfs/dbraw/zinc/08/67/70/583086770.db2.gz DECHGTWSZKLZLO-ZIAGYGMSSA-N 1 3 239.407 1.401 10 0 BDAEHO NC[C@@H]1C[NH2+]C[C@H](c2cccc3cc[nH]c32)C1 ZINC000757207000 586437205 /nfs/dbraw/zinc/43/72/05/586437205.db2.gz ATZIDYFCPBGXAZ-ZYHUDNBSSA-N 1 3 229.327 1.820 10 0 BDAEHO [NH3+]C[C@@H]1CNC[C@H](c2cccc3cc[nH]c32)C1 ZINC000757207000 586437207 /nfs/dbraw/zinc/43/72/07/586437207.db2.gz ATZIDYFCPBGXAZ-ZYHUDNBSSA-N 1 3 229.327 1.820 10 0 BDAEHO C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2cccc(N)c2)N1 ZINC000757210055 586438303 /nfs/dbraw/zinc/43/83/03/586438303.db2.gz DTMPPWAYWWQFMY-GIFSMMMISA-N 1 3 233.359 1.903 10 0 BDAEHO COC(=O)[C@H]1CCN[C@@H](c2ccc(C[NH3+])cc2)C1 ZINC000757210821 586438737 /nfs/dbraw/zinc/43/87/37/586438737.db2.gz HKAJSVRONFAZJX-QWHCGFSZSA-N 1 3 248.326 1.359 10 0 BDAEHO [NH3+]C[C@H]1CNC[C@@H](c2ccc(C=O)s2)C1 ZINC000757213027 586439287 /nfs/dbraw/zinc/43/92/87/586439287.db2.gz KSEURASCQFOBJR-IUCAKERBSA-N 1 3 224.329 1.212 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1CC[C@H](C[NH3+])NC1 ZINC000757229657 586443324 /nfs/dbraw/zinc/44/33/24/586443324.db2.gz FBHWSTKNSIIFRQ-ZYHUDNBSSA-N 1 3 219.332 1.372 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1CC[C@@H](N)[C@@H](C)[NH2+]1 ZINC000757238641 586444179 /nfs/dbraw/zinc/44/41/79/586444179.db2.gz TUCMGAYHAHLQQB-WQAKAFBOSA-N 1 3 219.332 1.718 10 0 BDAEHO [NH3+][C@H](CC(F)F)CN1CCN2CCCC[C@H]2C1 ZINC000310082250 632701154 /nfs/dbraw/zinc/70/11/54/632701154.db2.gz KIJGZKYHWGIFKV-MNOVXSKESA-N 1 3 247.333 1.139 10 0 BDAEHO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1CCNCC1 ZINC000716665302 711577905 /nfs/dbraw/zinc/57/79/05/711577905.db2.gz HCTPTLJRATWRSL-AAXDQBDMSA-N 1 3 208.349 1.620 10 0 BDAEHO COCC1CC([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000713930047 712473641 /nfs/dbraw/zinc/47/36/41/712473641.db2.gz ZDEBDNPSONXBKF-MVKMKZAISA-N 1 3 226.364 1.519 10 0 BDAEHO C1=CO[C@@H](CN[C@@H]2CCC[NH2+]CC2)CC1 ZINC000380028104 712683060 /nfs/dbraw/zinc/68/30/60/712683060.db2.gz WRIOGXZMHXXOTF-VXGBXAGGSA-N 1 3 210.321 1.411 10 0 BDAEHO C[C@@H]1[C@@H](N)CCC[N@@H+]1[C@H]1CCSC1 ZINC000307604388 398179178 /nfs/dbraw/zinc/17/91/78/398179178.db2.gz VZMJSJGRNIJOEC-UTLUCORTSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1[C@@H](N)CCC[N@H+]1[C@H]1CCSC1 ZINC000307604388 398179181 /nfs/dbraw/zinc/17/91/81/398179181.db2.gz VZMJSJGRNIJOEC-UTLUCORTSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@H](N)[C@H](C)[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000306789004 398200930 /nfs/dbraw/zinc/20/09/30/398200930.db2.gz SQYZLRCNIGQINB-QEYWKRMJSA-N 1 3 202.367 1.548 10 0 BDAEHO C[C@H](N)[C@H](C)[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000306789004 398200932 /nfs/dbraw/zinc/20/09/32/398200932.db2.gz SQYZLRCNIGQINB-QEYWKRMJSA-N 1 3 202.367 1.548 10 0 BDAEHO CCN1CC[C@@H]([NH3+])C12CCSCC2 ZINC000606275694 538930000 /nfs/dbraw/zinc/93/00/00/538930000.db2.gz IZBRBJOWBKCSRV-SECBINFHSA-N 1 3 200.351 1.305 10 0 BDAEHO CCNc1cc(N2CCC([NH3+])CC2)nc(C)n1 ZINC000258977907 342811529 /nfs/dbraw/zinc/81/15/29/342811529.db2.gz OEJDXNQEZKBCPI-UHFFFAOYSA-N 1 3 235.335 1.144 10 0 BDAEHO C[N@H+](C1CCC1)[C@@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000143674678 361930230 /nfs/dbraw/zinc/93/02/30/361930230.db2.gz HATBHBIKZPYZQK-NWDGAFQWSA-N 1 3 240.347 1.094 10 0 BDAEHO C[N@@H+](C1CCC1)[C@@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000143674678 361930236 /nfs/dbraw/zinc/93/02/36/361930236.db2.gz HATBHBIKZPYZQK-NWDGAFQWSA-N 1 3 240.347 1.094 10 0 BDAEHO C[C@@H]([NH3+])[C@H](C)CN1CCCO[C@H](C)C1 ZINC000165192448 342881682 /nfs/dbraw/zinc/88/16/82/342881682.db2.gz COJAZENALVBDCJ-GMTAPVOTSA-N 1 3 200.326 1.081 10 0 BDAEHO Cc1nccc(CNCCCC[NH+](C)C)n1 ZINC000054790893 136373154 /nfs/dbraw/zinc/37/31/54/136373154.db2.gz DSCCHHLBLWYYGF-UHFFFAOYSA-N 1 3 222.336 1.216 10 0 BDAEHO OC[C@H]1C[N@@H+](C2CCNCC2)CC12CCCC2 ZINC000409436215 343837891 /nfs/dbraw/zinc/83/78/91/343837891.db2.gz YSNCAZGLOVIHHP-GFCCVEGCSA-N 1 3 238.375 1.223 10 0 BDAEHO OC[C@H]1C[N@H+](C2CCNCC2)CC12CCCC2 ZINC000409436215 343837893 /nfs/dbraw/zinc/83/78/93/343837893.db2.gz YSNCAZGLOVIHHP-GFCCVEGCSA-N 1 3 238.375 1.223 10 0 BDAEHO CC(C)C[C@H]1C[N@@H+](C2CCNCC2)CC[C@@H]1O ZINC000409435794 343839878 /nfs/dbraw/zinc/83/98/78/343839878.db2.gz WOPXZLYJMAQCBK-JSGCOSHPSA-N 1 3 240.391 1.467 10 0 BDAEHO CC(C)C[C@H]1C[N@H+](C2CCNCC2)CC[C@@H]1O ZINC000409435794 343839879 /nfs/dbraw/zinc/83/98/79/343839879.db2.gz WOPXZLYJMAQCBK-JSGCOSHPSA-N 1 3 240.391 1.467 10 0 BDAEHO CC(C)C[C@H]1CN(C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409435794 343839880 /nfs/dbraw/zinc/83/98/80/343839880.db2.gz WOPXZLYJMAQCBK-JSGCOSHPSA-N 1 3 240.391 1.467 10 0 BDAEHO CC[C@@H]1CCN([C@]2(C[NH3+])CCSC2)C1 ZINC000166002894 344272311 /nfs/dbraw/zinc/27/23/11/344272311.db2.gz OAHFLOUFYOMSIH-MNOVXSKESA-N 1 3 214.378 1.553 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000307214519 345240417 /nfs/dbraw/zinc/24/04/17/345240417.db2.gz RUUVAZTZMDLPIK-GUBZILKMSA-N 1 3 214.378 1.740 10 0 BDAEHO C[C@@H]1CN(Cc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000634999231 345199102 /nfs/dbraw/zinc/19/91/02/345199102.db2.gz RJQPPFQZMXHFBB-RISCZKNCSA-N 1 3 246.354 1.648 10 0 BDAEHO [NH3+]C[C@@H]1CCCN([C@H]2CCSC2)C1 ZINC000251329829 345493324 /nfs/dbraw/zinc/49/33/24/345493324.db2.gz PAIBBRIUDWCNKT-UWVGGRQHSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@@H]1CCC[N@@H+]([C@H]2CCSC2)C1 ZINC000251329829 345493325 /nfs/dbraw/zinc/49/33/25/345493325.db2.gz PAIBBRIUDWCNKT-UWVGGRQHSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@@H]1CCC[N@H+]([C@H]2CCSC2)C1 ZINC000251329829 345493326 /nfs/dbraw/zinc/49/33/26/345493326.db2.gz PAIBBRIUDWCNKT-UWVGGRQHSA-N 1 3 200.351 1.163 10 0 BDAEHO CC(C)N1CC[C@H]([NH3+])[C@]12CCCSC2 ZINC000685952690 537943010 /nfs/dbraw/zinc/94/30/10/537943010.db2.gz CBPPPMBIHPJTRS-WDEREUQCSA-N 1 3 214.378 1.694 10 0 BDAEHO [NH3+][C@H]1CNCC[C@@H]1c1ccc2c(c1)CCN2 ZINC000669381417 537995034 /nfs/dbraw/zinc/99/50/34/537995034.db2.gz JEVUKQHMHZRDPJ-NEPJUHHUSA-N 1 3 217.316 1.059 10 0 BDAEHO C[C@H]([NH3+])CCN1C[C@@H](C)S[C@H](C)C1 ZINC000251641336 362894142 /nfs/dbraw/zinc/89/41/42/362894142.db2.gz JEHUFOMHUTWEDH-IVZWLZJFSA-N 1 3 202.367 1.550 10 0 BDAEHO CC(C)C[C@@H](N)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000049220681 187435612 /nfs/dbraw/zinc/43/56/12/187435612.db2.gz XLXBEPJPJLMQRN-NEPJUHHUSA-N 1 3 243.395 1.062 10 0 BDAEHO [NH3+][C@@H]1CC[C@H](N2CCCSCC2)C1 ZINC000223138753 350266665 /nfs/dbraw/zinc/26/66/65/350266665.db2.gz LXKAUAPCSIRLKR-ZJUUUORDSA-N 1 3 200.351 1.305 10 0 BDAEHO CN(Cc1ccccc1)[C@@H]1CC[C@@]([NH3+])(CO)C1 ZINC000307159220 351509639 /nfs/dbraw/zinc/50/96/39/351509639.db2.gz UEIFDFMSGWKHLX-KGLIPLIRSA-N 1 3 234.343 1.361 10 0 BDAEHO CC1(C)SC[C@H]1N1CC[C@@H](C[NH3+])C1 ZINC000307168859 351542380 /nfs/dbraw/zinc/54/23/80/351542380.db2.gz WFLZNZDRCXMQCV-DTWKUNHWSA-N 1 3 200.351 1.161 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@H]1CC[C@@H]([NH3+])C1 ZINC000307587567 352662044 /nfs/dbraw/zinc/66/20/44/352662044.db2.gz UNPIRRPEEONHLY-VGMNWLOBSA-N 1 3 200.351 1.350 10 0 BDAEHO C[C@H]1CCN(C(N)=[NH2+])CCN1Cc1ccccc1 ZINC000307598584 352665885 /nfs/dbraw/zinc/66/58/85/352665885.db2.gz PCIQLDDHPSCZOR-LBPRGKRZSA-N 1 3 246.358 1.476 10 0 BDAEHO C[C@@H]1CSC[C@H]1[N@@H+]1CC[C@H](CN)C1 ZINC000307514916 352631644 /nfs/dbraw/zinc/63/16/44/352631644.db2.gz OYDXYOQZDJADEK-OPRDCNLKSA-N 1 3 200.351 1.019 10 0 BDAEHO C[C@@H]1CSC[C@H]1[N@H+]1CC[C@H](CN)C1 ZINC000307514916 352631645 /nfs/dbraw/zinc/63/16/45/352631645.db2.gz OYDXYOQZDJADEK-OPRDCNLKSA-N 1 3 200.351 1.019 10 0 BDAEHO [NH3+]C1CCC(CN2CC[C@@H](F)C2)CC1 ZINC000306602009 353028916 /nfs/dbraw/zinc/02/89/16/353028916.db2.gz VJMKWDHPKYJOSZ-HSOILSAZSA-N 1 3 200.301 1.548 10 0 BDAEHO C[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)CN1CCCC1 ZINC000310264324 353134425 /nfs/dbraw/zinc/13/44/25/353134425.db2.gz MHFTUYHTUFVSLW-CHWSQXEVSA-N 1 3 242.407 1.715 10 0 BDAEHO C[C@H](CNC[C@@H](O)C(C)(C)C)C[NH+]1CCCC1 ZINC000310264324 353134426 /nfs/dbraw/zinc/13/44/26/353134426.db2.gz MHFTUYHTUFVSLW-CHWSQXEVSA-N 1 3 242.407 1.715 10 0 BDAEHO CC(C)C[C@@](C)(C[NH3+])N1CCN(C(C)C)CC1 ZINC000036170741 188112142 /nfs/dbraw/zinc/11/21/42/188112142.db2.gz ZQZPZJMTVYEYND-AWEZNQCLSA-N 1 3 241.423 1.776 10 0 BDAEHO CC(C)[N@@H+]1CC[C@H](CNC[C@@H]2CCCCO2)C1 ZINC000045134656 188124033 /nfs/dbraw/zinc/12/40/33/188124033.db2.gz KGNBCGCINNRLDM-KGLIPLIRSA-N 1 3 240.391 1.875 10 0 BDAEHO CC(C)[N@H+]1CC[C@H](CNC[C@@H]2CCCCO2)C1 ZINC000045134656 188124034 /nfs/dbraw/zinc/12/40/34/188124034.db2.gz KGNBCGCINNRLDM-KGLIPLIRSA-N 1 3 240.391 1.875 10 0 BDAEHO CC(C)N1CC[C@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC000045134656 188124035 /nfs/dbraw/zinc/12/40/35/188124035.db2.gz KGNBCGCINNRLDM-KGLIPLIRSA-N 1 3 240.391 1.875 10 0 BDAEHO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H](N)C(C)(C)C ZINC000049220386 188124830 /nfs/dbraw/zinc/12/48/30/188124830.db2.gz NLFXWZKIWFAPLI-WDEREUQCSA-N 1 3 243.395 1.062 10 0 BDAEHO C[NH+]1CCC(OCc2cc(CN)co2)CC1 ZINC000052596771 188126333 /nfs/dbraw/zinc/12/63/33/188126333.db2.gz WQDZZQKEBGVJAD-UHFFFAOYSA-N 1 3 224.304 1.349 10 0 BDAEHO CC(C)(C[NH3+])N1CCN(CC2CCCC2)CC1 ZINC000104162049 188150509 /nfs/dbraw/zinc/15/05/09/188150509.db2.gz FTSGHPXMPFPMOY-UHFFFAOYSA-N 1 3 239.407 1.532 10 0 BDAEHO C[NH2+]Cc1ccc(CN2CCN(C)[C@H](C)C2)cc1 ZINC000110751269 188153078 /nfs/dbraw/zinc/15/30/78/188153078.db2.gz PZMROLNAYAHHTB-CYBMUJFWSA-N 1 3 247.386 1.542 10 0 BDAEHO COC(C)(C)[C@@H](C)[N@@H+]1CCC[C@H](N)C1 ZINC000301029258 363344621 /nfs/dbraw/zinc/34/46/21/363344621.db2.gz UCSZHXHGPPJPCS-ZJUUUORDSA-N 1 3 200.326 1.223 10 0 BDAEHO COC(C)(C)[C@@H](C)[N@H+]1CCC[C@H](N)C1 ZINC000301029258 363344624 /nfs/dbraw/zinc/34/46/24/363344624.db2.gz UCSZHXHGPPJPCS-ZJUUUORDSA-N 1 3 200.326 1.223 10 0 BDAEHO CCOC[C@H]([NH2+]C1CCNCC1)C(C)C ZINC000233770011 363406697 /nfs/dbraw/zinc/40/66/97/363406697.db2.gz WVTJKRHWVXOCIZ-LBPRGKRZSA-N 1 3 214.353 1.389 10 0 BDAEHO CCOC[C@H](NC1CC[NH2+]CC1)C(C)C ZINC000233770011 363406703 /nfs/dbraw/zinc/40/67/03/363406703.db2.gz WVTJKRHWVXOCIZ-LBPRGKRZSA-N 1 3 214.353 1.389 10 0 BDAEHO C[NH+](C)C[C@@H]1CCN(CCCCCO)C1 ZINC000113515679 355251886 /nfs/dbraw/zinc/25/18/86/355251886.db2.gz MPBGLMVWDHINLB-LBPRGKRZSA-N 1 3 214.353 1.033 10 0 BDAEHO COCCNC[C@@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675051078 538473647 /nfs/dbraw/zinc/47/36/47/538473647.db2.gz KGACHSMWHHYVLL-ZIAGYGMSSA-N 1 3 240.391 1.638 10 0 BDAEHO [NH3+][C@H]1C=C(CC[C@H]2CCCCO2)CNC1 ZINC000675079125 538517552 /nfs/dbraw/zinc/51/75/52/538517552.db2.gz WQKRILCXZDSKIG-NWDGAFQWSA-N 1 3 210.321 1.193 10 0 BDAEHO CCCN(C)[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080515 538519359 /nfs/dbraw/zinc/51/93/59/538519359.db2.gz SGOZIZRFZGRWIC-WDEREUQCSA-N 1 3 212.337 1.225 10 0 BDAEHO CCN(CC)[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080230 538519592 /nfs/dbraw/zinc/51/95/92/538519592.db2.gz PMEHVAACLHMYFC-QWRGUYRKSA-N 1 3 212.337 1.225 10 0 BDAEHO CC(C)C1CCC([NH3+])(C2=NCCN2)CC1 ZINC000685948101 538890268 /nfs/dbraw/zinc/89/02/68/538890268.db2.gz XTKWCODEPJKPGU-UHFFFAOYSA-N 1 3 209.337 1.532 10 0 BDAEHO CCOc1ccc([C@@H]2CCNC[C@@H]2[NH3+])cc1 ZINC000685948589 538890857 /nfs/dbraw/zinc/89/08/57/538890857.db2.gz QRAFEXXOVXNDQE-STQMWFEESA-N 1 3 220.316 1.490 10 0 BDAEHO CC[C@@H]1CC[N@@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685950664 538893763 /nfs/dbraw/zinc/89/37/63/538893763.db2.gz DCYIYKIBEOSLNJ-XQHKEYJVSA-N 1 3 210.365 1.962 10 0 BDAEHO CC[C@@H]1CC[N@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685950664 538893764 /nfs/dbraw/zinc/89/37/64/538893764.db2.gz DCYIYKIBEOSLNJ-XQHKEYJVSA-N 1 3 210.365 1.962 10 0 BDAEHO C[C@@H]1[C@H]([NH3+])CCN(CCC(F)F)[C@H]1C ZINC000306219529 359338258 /nfs/dbraw/zinc/33/82/58/359338258.db2.gz MXWGVILITJHOEH-XHNCKOQMSA-N 1 3 206.280 1.699 10 0 BDAEHO CC(C)N(C)C[C@@H]1COC(C)(C)[C@@H]1[NH3+] ZINC000306248674 359445777 /nfs/dbraw/zinc/44/57/77/359445777.db2.gz XQUAPWNUMWQDMK-NXEZZACHSA-N 1 3 200.326 1.079 10 0 BDAEHO CC(C)C[C@H]([NH3+])CN1CCN2CCCC[C@@H]2C1 ZINC000094440676 360308193 /nfs/dbraw/zinc/30/81/93/360308193.db2.gz NSRZJTPUUCNZHM-UONOGXRCSA-N 1 3 239.407 1.530 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000306611959 360852006 /nfs/dbraw/zinc/85/20/06/360852006.db2.gz HNBAKRAUBSVJDN-AXFHLTTASA-N 1 3 214.378 1.612 10 0 BDAEHO C[C@@H]1SCC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000306611959 360852011 /nfs/dbraw/zinc/85/20/11/360852011.db2.gz HNBAKRAUBSVJDN-AXFHLTTASA-N 1 3 214.378 1.612 10 0 BDAEHO C[C@@H]([NH3+])CCN1C[C@@H](C)S[C@@H](C)C1 ZINC000069910039 361016795 /nfs/dbraw/zinc/01/67/95/361016795.db2.gz JEHUFOMHUTWEDH-BBBLOLIVSA-N 1 3 202.367 1.550 10 0 BDAEHO C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000629545225 361425540 /nfs/dbraw/zinc/42/55/40/361425540.db2.gz COBQPDKEVLJWNU-GHYVTOPFSA-N 1 3 238.375 1.532 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CCCNC1 ZINC000629545225 361425542 /nfs/dbraw/zinc/42/55/42/361425542.db2.gz COBQPDKEVLJWNU-GHYVTOPFSA-N 1 3 238.375 1.532 10 0 BDAEHO NC(=[NH2+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000070663801 361708975 /nfs/dbraw/zinc/70/89/75/361708975.db2.gz IXFMLHAWUZHRLZ-LBPRGKRZSA-N 1 3 217.316 1.835 10 0 BDAEHO CO[C@@H]1CN(CCC(C)C)[C@](C)(C[NH3+])C1 ZINC000630356695 364077967 /nfs/dbraw/zinc/07/79/67/364077967.db2.gz TVWSCADFCNKHTD-RYUDHWBXSA-N 1 3 214.353 1.471 10 0 BDAEHO CO[C@@H]1CN(CC2CC(C)(C)C2)[C@](C)(C[NH3+])C1 ZINC000630366294 364086023 /nfs/dbraw/zinc/08/60/23/364086023.db2.gz KALHALIMQXGIER-JSGCOSHPSA-N 1 3 240.391 1.861 10 0 BDAEHO C[C@H](NC[C@@H](O)CC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000574391320 365050685 /nfs/dbraw/zinc/05/06/85/365050685.db2.gz QERUVCLSARSOQO-XQQFMLRXSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@@H]1CCCNC1 ZINC000574391320 365050688 /nfs/dbraw/zinc/05/06/88/365050688.db2.gz QERUVCLSARSOQO-XQQFMLRXSA-N 1 3 242.407 1.761 10 0 BDAEHO [NH3+]CCCNCc1c[nH]c2ccccc12 ZINC000013440102 181383426 /nfs/dbraw/zinc/38/34/26/181383426.db2.gz KZPFBRMLYBRLSN-UHFFFAOYSA-N 1 3 203.289 1.606 10 0 BDAEHO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCCNC1 ZINC000581185028 367285609 /nfs/dbraw/zinc/28/56/09/367285609.db2.gz DETHAZOXOVDSLD-PEBLQZBPSA-N 1 3 240.391 1.778 10 0 BDAEHO Cc1ncsc1CCN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840333 369236754 /nfs/dbraw/zinc/23/67/54/369236754.db2.gz RMXGIDPUNDRNSU-ONGXEEELSA-N 1 3 239.388 1.521 10 0 BDAEHO C[C@H]([NH3+])C[C@H](C)N1CCCO[C@@H](C)C1 ZINC000218653774 372141798 /nfs/dbraw/zinc/14/17/98/372141798.db2.gz UARNUHKIDMEUHT-DCAQKATOSA-N 1 3 200.326 1.223 10 0 BDAEHO C[C@@H]1C[N@H+](CCCCCF)C[C@@H]1CN ZINC000631838483 372632438 /nfs/dbraw/zinc/63/24/38/372632438.db2.gz PFPMQWALAUBUAM-MNOVXSKESA-N 1 3 202.317 1.653 10 0 BDAEHO C[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1CN ZINC000631838483 372632442 /nfs/dbraw/zinc/63/24/42/372632442.db2.gz PFPMQWALAUBUAM-MNOVXSKESA-N 1 3 202.317 1.653 10 0 BDAEHO CC(C)OCCC[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631839087 372633206 /nfs/dbraw/zinc/63/32/06/372633206.db2.gz AAPGWXSXSNHPNN-RYUDHWBXSA-N 1 3 214.353 1.328 10 0 BDAEHO CC(C)OCCC[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631839087 372633213 /nfs/dbraw/zinc/63/32/13/372633213.db2.gz AAPGWXSXSNHPNN-RYUDHWBXSA-N 1 3 214.353 1.328 10 0 BDAEHO COCc1cccc(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631838892 372634559 /nfs/dbraw/zinc/63/45/59/372634559.db2.gz WNLLCTYAIKEGJR-SWLSCSKDSA-N 1 3 248.370 1.860 10 0 BDAEHO CCCN(CCN(C)C)[C@@H](C[NH3+])c1ccoc1 ZINC000063047944 169158621 /nfs/dbraw/zinc/15/86/21/169158621.db2.gz HYDXXOBTDRVFBN-ZDUSSCGKSA-N 1 3 239.363 1.553 10 0 BDAEHO CCCN1CCN([C@@H](C[NH3+])c2cccnc2)CC1 ZINC000022169943 169202487 /nfs/dbraw/zinc/20/24/87/169202487.db2.gz JTPALBBBTYNCGW-AWEZNQCLSA-N 1 3 248.374 1.109 10 0 BDAEHO CCCN1CCN(C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000053860716 169203128 /nfs/dbraw/zinc/20/31/28/169203128.db2.gz QPBZORNFHNNVKP-QWHCGFSZSA-N 1 3 225.380 1.141 10 0 BDAEHO CCC[NH2+]C[C@@H](C)N1CCN([C@H](C)CC)CC1 ZINC000055074066 169261319 /nfs/dbraw/zinc/26/13/19/169261319.db2.gz KBLZTBMOBHIGDX-ZIAGYGMSSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+]C[C@@H]1CCCN([C@@H]2CCC[C@@H]2O)C1 ZINC000104421509 169262408 /nfs/dbraw/zinc/26/24/08/169262408.db2.gz CFYLVLYKQMTYMH-MJBXVCDLSA-N 1 3 240.391 1.611 10 0 BDAEHO c1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]23)nc1 ZINC000049567825 183395209 /nfs/dbraw/zinc/39/52/09/183395209.db2.gz TWPLDYSMDOECOQ-UONOGXRCSA-N 1 3 231.343 1.450 10 0 BDAEHO c1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]23)nc1 ZINC000049567825 183395212 /nfs/dbraw/zinc/39/52/12/183395212.db2.gz TWPLDYSMDOECOQ-UONOGXRCSA-N 1 3 231.343 1.450 10 0 BDAEHO CCCO[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000042425460 169311628 /nfs/dbraw/zinc/31/16/28/169311628.db2.gz NMGFHZMPMSUUEQ-ZIAGYGMSSA-N 1 3 240.391 1.877 10 0 BDAEHO CCCO[C@H]1CCCN([C@@H](CC)CC(N)=[NH2+])C1 ZINC000042422685 169313196 /nfs/dbraw/zinc/31/31/96/169313196.db2.gz YBYFMLLNBMBQML-RYUDHWBXSA-N 1 3 241.379 1.982 10 0 BDAEHO CCC[NH2+][C@H]1CCCC[C@@H]1N(C)CCN(C)C ZINC000104202020 169290833 /nfs/dbraw/zinc/29/08/33/169290833.db2.gz VCLFWHLYQRHFMY-KBPBESRZSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[C@@H](CN[C@H]1CCC[NH2+]CC1)OC ZINC000356317499 169385943 /nfs/dbraw/zinc/38/59/43/169385943.db2.gz DXENGOWTEQOAIK-RYUDHWBXSA-N 1 3 214.353 1.533 10 0 BDAEHO C[C@H](NC[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000560970658 384428725 /nfs/dbraw/zinc/42/87/25/384428725.db2.gz KNPNAOKOCIKWMU-SDDRHHMPSA-N 1 3 212.337 1.143 10 0 BDAEHO C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]2COC[C@@H]21 ZINC000647551804 384753487 /nfs/dbraw/zinc/75/34/87/384753487.db2.gz NFUJICSCQDGWMR-UPJWGTAASA-N 1 3 224.348 1.097 10 0 BDAEHO C([NH2+][C@@H]1CCCNCC1)[C@H]1CCCSC1 ZINC000336231011 385023427 /nfs/dbraw/zinc/02/34/27/385023427.db2.gz BBTGMBFWNIBQSZ-VXGBXAGGSA-N 1 3 228.405 1.861 10 0 BDAEHO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCN)C12CCC2 ZINC000336734011 385651957 /nfs/dbraw/zinc/65/19/57/385651957.db2.gz GZPVGQBXZSLYTQ-GARJFASQSA-N 1 3 212.337 1.128 10 0 BDAEHO CO[C@@H]1[C@@H](C)[C@H](NCCC[NH3+])C12CCC2 ZINC000336734011 385651962 /nfs/dbraw/zinc/65/19/62/385651962.db2.gz GZPVGQBXZSLYTQ-GARJFASQSA-N 1 3 212.337 1.128 10 0 BDAEHO C[C@@H]1C[C@@H]([NH3+])CN1C1CCSCC1 ZINC000575593156 386356080 /nfs/dbraw/zinc/35/60/80/386356080.db2.gz YAVSAZNDESEZTJ-RKDXNWHRSA-N 1 3 200.351 1.304 10 0 BDAEHO FC1(F)CC[C@H](C[NH2+][C@H]2CCNC2)C1 ZINC000335028353 387122331 /nfs/dbraw/zinc/12/23/31/387122331.db2.gz INZNMAXPSMBGHQ-IUCAKERBSA-N 1 3 204.264 1.373 10 0 BDAEHO N[C@H](CCC[NH3+])c1ccc(F)c(F)c1F ZINC000575440265 387127508 /nfs/dbraw/zinc/12/75/08/387127508.db2.gz YCYNONPIAQPBJY-MRVPVSSYSA-N 1 3 218.222 1.843 10 0 BDAEHO C[C@H]1C[C@@H]([NH3+])CN1C1CCSCC1 ZINC000575593154 387224054 /nfs/dbraw/zinc/22/40/54/387224054.db2.gz YAVSAZNDESEZTJ-DTWKUNHWSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@H](N[C@@H]1CCN(C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643454661 387386193 /nfs/dbraw/zinc/38/61/93/387386193.db2.gz LDXCZWQCGPSSJG-YNEHKIRRSA-N 1 3 237.391 1.201 10 0 BDAEHO CC(C)OC1CCC([NH2+][C@H]2CCNC2)CC1 ZINC000643475983 387514217 /nfs/dbraw/zinc/51/42/17/387514217.db2.gz ZRWLXQFRLBMFTP-CPCZMJQVSA-N 1 3 226.364 1.674 10 0 BDAEHO C[C@@H]1CC(C[NH2+][C@H]2CCNC2)C[C@@H](C)O1 ZINC000423104064 387888903 /nfs/dbraw/zinc/88/89/03/387888903.db2.gz PTFIFGWDQQDUFQ-FOGDFJRCSA-N 1 3 212.337 1.142 10 0 BDAEHO Cc1cc(NC2C[NH2+]C2)c2ccccc2n1 ZINC000085256873 388085820 /nfs/dbraw/zinc/08/58/20/388085820.db2.gz RIFQLWKMHYZWCX-UHFFFAOYSA-N 1 3 213.284 1.927 10 0 BDAEHO C[C@H](NC1Cc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000335044263 388448159 /nfs/dbraw/zinc/44/81/59/388448159.db2.gz XWVIEFDYFGWSFZ-SMDDNHRTSA-N 1 3 230.355 1.741 10 0 BDAEHO CC[C@@H]([NH2+][C@@H]1CCCNCC1)C(C)(C)O ZINC000394005860 388448672 /nfs/dbraw/zinc/44/86/72/388448672.db2.gz UWBCHPIDISVBAJ-GHMZBOCLSA-N 1 3 214.353 1.268 10 0 BDAEHO CC(C)(C)C[C@H](CO)[NH2+]C1CCNCC1 ZINC000393470614 388431670 /nfs/dbraw/zinc/43/16/70/388431670.db2.gz NALDWVJDQWWHRN-LLVKDONJSA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)(C)C[C@H](CO)NC1CC[NH2+]CC1 ZINC000393470614 388431673 /nfs/dbraw/zinc/43/16/73/388431673.db2.gz NALDWVJDQWWHRN-LLVKDONJSA-N 1 3 214.353 1.125 10 0 BDAEHO CC[C@@H]([NH2+]CCOCCN(C)C)[C@H]1CC1(C)C ZINC000397637300 388486350 /nfs/dbraw/zinc/48/63/50/388486350.db2.gz XKRKLGFLFMQMLR-CHWSQXEVSA-N 1 3 242.407 1.979 10 0 BDAEHO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000565533635 388951418 /nfs/dbraw/zinc/95/14/18/388951418.db2.gz GDGRKGJZHOESNI-AVGNSLFASA-N 1 3 228.380 1.371 10 0 BDAEHO CC(C)[C@@](C)(O)CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000565533635 388951421 /nfs/dbraw/zinc/95/14/21/388951421.db2.gz GDGRKGJZHOESNI-AVGNSLFASA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CCCNC1 ZINC000566088886 388986708 /nfs/dbraw/zinc/98/67/08/388986708.db2.gz GRELXANPIOKREB-RHYQMDGZSA-N 1 3 228.405 1.858 10 0 BDAEHO C[C@H](N[C@@H]1CS[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000566088886 388986710 /nfs/dbraw/zinc/98/67/10/388986710.db2.gz GRELXANPIOKREB-RHYQMDGZSA-N 1 3 228.405 1.858 10 0 BDAEHO Cc1cc(N2CCN(C[C@H](C)O)[C@H](C)C2)cc[nH+]1 ZINC000274402536 132202871 /nfs/dbraw/zinc/20/28/71/132202871.db2.gz YCBYBKLOUDAXIU-OLZOCXBDSA-N 1 3 249.358 1.281 10 0 BDAEHO CCc1cccc(N2C(=[NH2+])NC(=N)NC2(C)C)c1 ZINC000013740716 132309716 /nfs/dbraw/zinc/30/97/16/132309716.db2.gz MBNBZXNACITBKV-UHFFFAOYSA-N 1 3 245.330 1.435 10 0 BDAEHO C[C@H]1CC[C@@H](C[NH3+])CN1c1ccncc1 ZINC000053704336 132363197 /nfs/dbraw/zinc/36/31/97/132363197.db2.gz FIMGAULHRMOBKA-QWRGUYRKSA-N 1 3 205.305 1.645 10 0 BDAEHO CCC[C@H](CCO)C[NH2+][C@H]1CCCNCC1 ZINC000227417147 134380914 /nfs/dbraw/zinc/38/09/14/134380914.db2.gz WERNYQHKESURDM-OLZOCXBDSA-N 1 3 228.380 1.517 10 0 BDAEHO CCSCCN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261527747 135151761 /nfs/dbraw/zinc/15/17/61/135151761.db2.gz GRYRXQDLPHDYPW-JTQLQIEISA-N 1 3 216.394 1.799 10 0 BDAEHO CC1(C)CN(CC2CCOCC2)CC[C@H]1[NH3+] ZINC000261582057 135222703 /nfs/dbraw/zinc/22/27/03/135222703.db2.gz OALVQOBKJWZXIC-GFCCVEGCSA-N 1 3 226.364 1.472 10 0 BDAEHO C[C@H]([NH3+])CC(=O)NCc1ccc(CN(C)C)cc1 ZINC000261662653 135243810 /nfs/dbraw/zinc/24/38/10/135243810.db2.gz ABQFCKXANUERQK-NSHDSACASA-N 1 3 249.358 1.102 10 0 BDAEHO C[C@@H]1C[C@@H](O)CN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000401640201 533673710 /nfs/dbraw/zinc/67/37/10/533673710.db2.gz DVYVADPMXFUNEL-HZSPNIEDSA-N 1 3 240.391 1.564 10 0 BDAEHO C[C@@H]1C[C@@H](O)CN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000401640201 533673717 /nfs/dbraw/zinc/67/37/17/533673717.db2.gz DVYVADPMXFUNEL-HZSPNIEDSA-N 1 3 240.391 1.564 10 0 BDAEHO CC(C)[NH2+]C[C@@H](C)CN(C)C[C@@H]1CCCOC1 ZINC000070073323 167111781 /nfs/dbraw/zinc/11/17/81/167111781.db2.gz PPOYMVVCUXQABR-KGLIPLIRSA-N 1 3 242.407 1.979 10 0 BDAEHO C[C@H](Cc1ccccn1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000656193920 411199945 /nfs/dbraw/zinc/19/99/45/411199945.db2.gz YPOQGPOFESNZBN-MGPQQGTHSA-N 1 3 247.386 1.990 10 0 BDAEHO C[C@H](Cc1ccccn1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000656193920 411199947 /nfs/dbraw/zinc/19/99/47/411199947.db2.gz YPOQGPOFESNZBN-MGPQQGTHSA-N 1 3 247.386 1.990 10 0 BDAEHO C[C@H](c1ccncc1)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310529300 411240511 /nfs/dbraw/zinc/24/05/11/411240511.db2.gz PMPMTZOGJQEVEJ-SAXRGWBVSA-N 1 3 231.343 1.812 10 0 BDAEHO CC1CCC(CO)(N2CCC[NH2+]CC2)CC1 ZINC000038117223 168157143 /nfs/dbraw/zinc/15/71/43/168157143.db2.gz WJWKOEXQYIJQFT-UHFFFAOYSA-N 1 3 226.364 1.223 10 0 BDAEHO CCN1CCN(CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000020073841 169989948 /nfs/dbraw/zinc/98/99/48/169989948.db2.gz QQYNAZAYSPZWOO-HNNXBMFYSA-N 1 3 247.386 1.714 10 0 BDAEHO CC[NH2+]CCc1csc(CCN(C)C)n1 ZINC000076812156 170118521 /nfs/dbraw/zinc/11/85/21/170118521.db2.gz QXATVSTYFCASHT-UHFFFAOYSA-N 1 3 227.377 1.399 10 0 BDAEHO CC[NH2+]C[C@@H](O)CN(C)C1CCC(CC)CC1 ZINC000042515655 170119216 /nfs/dbraw/zinc/11/92/16/170119216.db2.gz WILPMBIEGZTDCU-JXQTWKCFSA-N 1 3 242.407 1.857 10 0 BDAEHO CC[NH2+]C[C@H]1CCCN1c1ccncc1 ZINC000053696610 170122336 /nfs/dbraw/zinc/12/23/36/170122336.db2.gz MLIVSBDCGMVTEV-GFCCVEGCSA-N 1 3 205.305 1.660 10 0 BDAEHO CC[NH2+]C[C@H]1CC[C@H](CN(CC)CCOC)O1 ZINC000052542778 170123784 /nfs/dbraw/zinc/12/37/84/170123784.db2.gz RVTOYABDGNKDME-CHWSQXEVSA-N 1 3 244.379 1.112 10 0 BDAEHO CC[NH2+][C@@H]1CCC[C@@H]1CN1CCCC[C@@H]1CO ZINC000053877169 170151097 /nfs/dbraw/zinc/15/10/97/170151097.db2.gz GZJUWNKFJJDCKU-MGPQQGTHSA-N 1 3 240.391 1.611 10 0 BDAEHO CC[NH2+][C@H](C)CN1CCN([C@H](C)CC)CC1 ZINC000055065615 170156845 /nfs/dbraw/zinc/15/68/45/170156845.db2.gz NOGSRFOEFYNALR-CHWSQXEVSA-N 1 3 227.396 1.401 10 0 BDAEHO CCOC1CC[NH+]([C@H]2CCC[C@@H]2CN)CC1 ZINC000040678529 170331990 /nfs/dbraw/zinc/33/19/90/170331990.db2.gz IPIBOGPMRXLMMQ-YPMHNXCESA-N 1 3 226.364 1.615 10 0 BDAEHO CCOC1CCN([C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000040678529 170331991 /nfs/dbraw/zinc/33/19/91/170331991.db2.gz IPIBOGPMRXLMMQ-YPMHNXCESA-N 1 3 226.364 1.615 10 0 BDAEHO CCOC1CC[NH+]([C@H]2CCCC[C@H]2N)CC1 ZINC000040689241 170332142 /nfs/dbraw/zinc/33/21/42/170332142.db2.gz UKUHNCRJEZHEGZ-OLZOCXBDSA-N 1 3 226.364 1.757 10 0 BDAEHO CC[C@@H]1CCN(C2CCN(C)CC2)CC[NH2+]1 ZINC000049661907 171009360 /nfs/dbraw/zinc/00/93/60/171009360.db2.gz DKQBIWOOFBQIBO-GFCCVEGCSA-N 1 3 225.380 1.155 10 0 BDAEHO CC[C@H](C)N(CCOC)Cc1occc1C[NH3+] ZINC000052547306 171315746 /nfs/dbraw/zinc/31/57/46/171315746.db2.gz KDAIORVVQLPAKH-NSHDSACASA-N 1 3 240.347 1.985 10 0 BDAEHO CC[C@H](C)N1CCN(C[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000055072376 171318424 /nfs/dbraw/zinc/31/84/24/171318424.db2.gz CGTZGGHJEXEOJY-MJBXVCDLSA-N 1 3 239.407 1.530 10 0 BDAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])CC(C)C)CC1 ZINC000055064536 171319399 /nfs/dbraw/zinc/31/93/99/171319399.db2.gz NTLKXZZNMDQTTB-UONOGXRCSA-N 1 3 241.423 1.776 10 0 BDAEHO C[C@H](NC[C@@]1(C)CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000665267150 412204842 /nfs/dbraw/zinc/20/48/42/412204842.db2.gz QMVZDJWJQWLPEC-LPEHRKFASA-N 1 3 218.291 1.619 10 0 BDAEHO CN1CCCC[C@@H]1CC[NH2+]CCn1ccnc1 ZINC000049857921 173004842 /nfs/dbraw/zinc/00/48/42/173004842.db2.gz OGCBRRFJQJGUNB-CYBMUJFWSA-N 1 3 236.363 1.347 10 0 BDAEHO C[N@@H+]1CCCC[C@@H]1CCNCCn1ccnc1 ZINC000049857921 173004845 /nfs/dbraw/zinc/00/48/45/173004845.db2.gz OGCBRRFJQJGUNB-CYBMUJFWSA-N 1 3 236.363 1.347 10 0 BDAEHO C[N@H+]1CCCC[C@@H]1CCNCCn1ccnc1 ZINC000049857921 173004847 /nfs/dbraw/zinc/00/48/47/173004847.db2.gz OGCBRRFJQJGUNB-CYBMUJFWSA-N 1 3 236.363 1.347 10 0 BDAEHO CN(CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[C@@H]1O ZINC000352669585 173005465 /nfs/dbraw/zinc/00/54/65/173005465.db2.gz BBJDJFMQACOZJA-MCIONIFRSA-N 1 3 240.391 1.706 10 0 BDAEHO CN(CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[C@@H]1O ZINC000352669585 173005467 /nfs/dbraw/zinc/00/54/67/173005467.db2.gz BBJDJFMQACOZJA-MCIONIFRSA-N 1 3 240.391 1.706 10 0 BDAEHO CN1CCN(C2(C[NH3+])CCCCC2)CC1(C)C ZINC000104144178 173075818 /nfs/dbraw/zinc/07/58/18/173075818.db2.gz WHDROHNNKIKRLR-UHFFFAOYSA-N 1 3 239.407 1.674 10 0 BDAEHO CN1CC[N@@H+](C2(CN)CCCCC2)CC1(C)C ZINC000104144178 173075819 /nfs/dbraw/zinc/07/58/19/173075819.db2.gz WHDROHNNKIKRLR-UHFFFAOYSA-N 1 3 239.407 1.674 10 0 BDAEHO CN1CC[N@H+](C2(CN)CCCCC2)CC1(C)C ZINC000104144178 173075823 /nfs/dbraw/zinc/07/58/23/173075823.db2.gz WHDROHNNKIKRLR-UHFFFAOYSA-N 1 3 239.407 1.674 10 0 BDAEHO CN1CCN(CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050952272 173079529 /nfs/dbraw/zinc/07/95/29/173079529.db2.gz ZTQOLNRMVFYCCG-CYBMUJFWSA-N 1 3 225.380 1.156 10 0 BDAEHO CN1CCN(C[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000053861668 173084841 /nfs/dbraw/zinc/08/48/41/173084841.db2.gz ULIGJCBISDVBBF-OLZOCXBDSA-N 1 3 225.380 1.141 10 0 BDAEHO C[NH2+]C(C)(C)CN(C)[C@H]1CCCN(C)C1 ZINC000061319843 173319803 /nfs/dbraw/zinc/31/98/03/173319803.db2.gz QEXKKAXWMQZEOV-NSHDSACASA-N 1 3 213.369 1.010 10 0 BDAEHO C[NH2+]CC1(CN2CCCC2)CCOCC1 ZINC000052180656 173337494 /nfs/dbraw/zinc/33/74/94/173337494.db2.gz PSXOVUVGPWRIFX-UHFFFAOYSA-N 1 3 212.337 1.098 10 0 BDAEHO C[NH2+]CC1(CN(C)C2CCOCC2)CCCC1 ZINC000051218263 173338010 /nfs/dbraw/zinc/33/80/10/173338010.db2.gz JAJMVOQAAIXCFL-UHFFFAOYSA-N 1 3 240.391 1.877 10 0 BDAEHO CNCC1(C[N@H+](C)C2CCOCC2)CCCC1 ZINC000051218263 173338012 /nfs/dbraw/zinc/33/80/12/173338012.db2.gz JAJMVOQAAIXCFL-UHFFFAOYSA-N 1 3 240.391 1.877 10 0 BDAEHO CNCC1(C[N@@H+](C)C2CCOCC2)CCCC1 ZINC000051218263 173338014 /nfs/dbraw/zinc/33/80/14/173338014.db2.gz JAJMVOQAAIXCFL-UHFFFAOYSA-N 1 3 240.391 1.877 10 0 BDAEHO C[NH2+]C[C@@]1(CN2CCCSCC2)CCOC1 ZINC000051284263 173373575 /nfs/dbraw/zinc/37/35/75/173373575.db2.gz CUQNGLUIZUOBNJ-GFCCVEGCSA-N 1 3 244.404 1.051 10 0 BDAEHO CNC[C@@]1(C[N@@H+]2CCCSCC2)CCOC1 ZINC000051284263 173373577 /nfs/dbraw/zinc/37/35/77/173373577.db2.gz CUQNGLUIZUOBNJ-GFCCVEGCSA-N 1 3 244.404 1.051 10 0 BDAEHO CNC[C@@]1(C[N@H+]2CCCSCC2)CCOC1 ZINC000051284263 173373578 /nfs/dbraw/zinc/37/35/78/173373578.db2.gz CUQNGLUIZUOBNJ-GFCCVEGCSA-N 1 3 244.404 1.051 10 0 BDAEHO C[NH2+]C[C@]1(CN(C)CC(C)(C)C)CCCOC1 ZINC000104307437 173383750 /nfs/dbraw/zinc/38/37/50/173383750.db2.gz ZFEIPIZVYMPLPC-AWEZNQCLSA-N 1 3 242.407 1.981 10 0 BDAEHO CNC[C@]1(C[N@H+](C)CC(C)(C)C)CCCOC1 ZINC000104307437 173383751 /nfs/dbraw/zinc/38/37/51/173383751.db2.gz ZFEIPIZVYMPLPC-AWEZNQCLSA-N 1 3 242.407 1.981 10 0 BDAEHO CNC[C@]1(C[N@@H+](C)CC(C)(C)C)CCCOC1 ZINC000104307437 173383752 /nfs/dbraw/zinc/38/37/52/173383752.db2.gz ZFEIPIZVYMPLPC-AWEZNQCLSA-N 1 3 242.407 1.981 10 0 BDAEHO CNCc1cccnc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191644 173391319 /nfs/dbraw/zinc/39/13/19/173391319.db2.gz JTTFARBZRWIFTD-GFCCVEGCSA-N 1 3 248.374 1.189 10 0 BDAEHO CNCc1cccnc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191644 173391321 /nfs/dbraw/zinc/39/13/21/173391321.db2.gz JTTFARBZRWIFTD-GFCCVEGCSA-N 1 3 248.374 1.189 10 0 BDAEHO COC1CC[NH+]([C@@H]2CCC[C@H]2CN)CC1 ZINC000037265721 174030139 /nfs/dbraw/zinc/03/01/39/174030139.db2.gz XFJGOIUKVFXBLQ-CMPLNLGQSA-N 1 3 212.337 1.225 10 0 BDAEHO COC1CCN([C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000037265721 174030141 /nfs/dbraw/zinc/03/01/41/174030141.db2.gz XFJGOIUKVFXBLQ-CMPLNLGQSA-N 1 3 212.337 1.225 10 0 BDAEHO COCCCN(CCOC)[C@@](C)(C[NH3+])C1CC1 ZINC000042420774 174225500 /nfs/dbraw/zinc/22/55/00/174225500.db2.gz NNBXBBZQANTEDI-ZDUSSCGKSA-N 1 3 244.379 1.099 10 0 BDAEHO COCCC[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000033606758 174245851 /nfs/dbraw/zinc/24/58/51/174245851.db2.gz VDGDCVKCGHKYJP-UHFFFAOYSA-N 1 3 228.380 1.922 10 0 BDAEHO COCCCNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000033606758 174245853 /nfs/dbraw/zinc/24/58/53/174245853.db2.gz VDGDCVKCGHKYJP-UHFFFAOYSA-N 1 3 228.380 1.922 10 0 BDAEHO COCC[N@H+](C1CC1)[C@@H]1C[C@H](C)CC[C@@H]1CN ZINC000042517606 174284876 /nfs/dbraw/zinc/28/48/76/174284876.db2.gz WYMOZTQVCJPNFN-YRGRVCCFSA-N 1 3 240.391 1.861 10 0 BDAEHO COCC[N@@H+](C1CC1)[C@@H]1C[C@H](C)CC[C@@H]1CN ZINC000042517606 174284878 /nfs/dbraw/zinc/28/48/78/174284878.db2.gz WYMOZTQVCJPNFN-YRGRVCCFSA-N 1 3 240.391 1.861 10 0 BDAEHO COCCN(C1CC1)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000042517606 174284880 /nfs/dbraw/zinc/28/48/80/174284880.db2.gz WYMOZTQVCJPNFN-YRGRVCCFSA-N 1 3 240.391 1.861 10 0 BDAEHO COc1ccc2c(c1)nc(N)n2CCC[NH+](C)C ZINC000013675167 175219661 /nfs/dbraw/zinc/21/96/61/175219661.db2.gz ZFZMQWBKDVLKBB-UHFFFAOYSA-N 1 3 248.330 1.579 10 0 BDAEHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C(C)(C)O ZINC000564823375 322931416 /nfs/dbraw/zinc/93/14/16/322931416.db2.gz OWFHKBLJBACOTL-SRVKXCTJSA-N 1 3 228.380 1.514 10 0 BDAEHO C[C@@H]([NH3+])[C@@H](C)N1CCN(C2CCCC2)CC1 ZINC000052061049 175808755 /nfs/dbraw/zinc/80/87/55/175808755.db2.gz SRJHYVUOZKCSFV-VXGBXAGGSA-N 1 3 225.380 1.282 10 0 BDAEHO C[C@@H]([C@H]1CCCO1)N1CCC[NH2+]CCC1 ZINC000049666239 176012469 /nfs/dbraw/zinc/01/24/69/176012469.db2.gz XAWZSKQWJDPAIN-NWDGAFQWSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@@H]([C@H]1CCCO1)[NH+]1CCCNCCC1 ZINC000049666239 176012470 /nfs/dbraw/zinc/01/24/70/176012470.db2.gz XAWZSKQWJDPAIN-NWDGAFQWSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@@H]1CCCCN1CCC[NH2+]C[C@@H]1CCOC1 ZINC000019913142 176070896 /nfs/dbraw/zinc/07/08/96/176070896.db2.gz UUUYAXISSLOIIL-KGLIPLIRSA-N 1 3 240.391 1.877 10 0 BDAEHO C[C@@H]1CCC[C@](C[NH3+])(N2CCCOCC2)C1 ZINC000061916616 176151125 /nfs/dbraw/zinc/15/11/25/176151125.db2.gz FGWJJXRXLQCEHY-OLZOCXBDSA-N 1 3 226.364 1.616 10 0 BDAEHO C[C@@H]1CCN(CCCn2ccnc2)[C@H](C[NH3+])C1 ZINC000104418221 176170275 /nfs/dbraw/zinc/17/02/75/176170275.db2.gz BHXAWAWIGNXURN-OLZOCXBDSA-N 1 3 236.363 1.332 10 0 BDAEHO C[C@@H]1CC[N@H+](CCCn2ccnc2)[C@H](CN)C1 ZINC000104418221 176170277 /nfs/dbraw/zinc/17/02/77/176170277.db2.gz BHXAWAWIGNXURN-OLZOCXBDSA-N 1 3 236.363 1.332 10 0 BDAEHO C[C@@H]1CC[N@@H+](CCCn2ccnc2)[C@H](CN)C1 ZINC000104418221 176170279 /nfs/dbraw/zinc/17/02/79/176170279.db2.gz BHXAWAWIGNXURN-OLZOCXBDSA-N 1 3 236.363 1.332 10 0 BDAEHO C[C@@H]1CNCCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000044510702 176324866 /nfs/dbraw/zinc/32/48/66/176324866.db2.gz JGHTZZBLORDYRR-OLZOCXBDSA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@@H]1CNCCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000044510702 176324868 /nfs/dbraw/zinc/32/48/68/176324868.db2.gz JGHTZZBLORDYRR-OLZOCXBDSA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@@H]1C[NH2+]CCCN(CC[C@@H]2CCCO2)C1 ZINC000044510702 176324869 /nfs/dbraw/zinc/32/48/69/176324869.db2.gz JGHTZZBLORDYRR-OLZOCXBDSA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@@H]1COCCN1CC1CCC([NH3+])CC1 ZINC000037482473 176336656 /nfs/dbraw/zinc/33/66/56/176336656.db2.gz PJYNRQKZXFRVQY-VOMCLLRMSA-N 1 3 212.337 1.225 10 0 BDAEHO C[C@H]1CCC[N@@H+](C2(CN)CCN(C)CC2)C1 ZINC000019432844 177096864 /nfs/dbraw/zinc/09/68/64/177096864.db2.gz WGDUDZSNTQBJPO-LBPRGKRZSA-N 1 3 225.380 1.141 10 0 BDAEHO C[C@H]1CCC[N@H+](C2(CN)CCN(C)CC2)C1 ZINC000019432844 177096866 /nfs/dbraw/zinc/09/68/66/177096866.db2.gz WGDUDZSNTQBJPO-LBPRGKRZSA-N 1 3 225.380 1.141 10 0 BDAEHO C[C@H]1CC[N@H+](C[C@@H]2CCOC2)CCCN1 ZINC000061148136 177162305 /nfs/dbraw/zinc/16/23/05/177162305.db2.gz HIPDKSQRJLGBOO-RYUDHWBXSA-N 1 3 212.337 1.097 10 0 BDAEHO C[C@H]1CC[N@@H+](C[C@@H]2CCOC2)CCCN1 ZINC000061148136 177162306 /nfs/dbraw/zinc/16/23/06/177162306.db2.gz HIPDKSQRJLGBOO-RYUDHWBXSA-N 1 3 212.337 1.097 10 0 BDAEHO C[C@H]1COCCN1CC[C@H]1CCC[NH2+]C1 ZINC000251605521 177292851 /nfs/dbraw/zinc/29/28/51/177292851.db2.gz DGLNBRMGYRDOSQ-NWDGAFQWSA-N 1 3 212.337 1.097 10 0 BDAEHO C[C@@H](CN1CCCCC1)NC1=[NH+][C@@H](C)CS1 ZINC000049502357 177302644 /nfs/dbraw/zinc/30/26/44/177302644.db2.gz ZNOLHQBULNBZNM-QWRGUYRKSA-N 1 3 241.404 1.942 10 0 BDAEHO C[C@H](N[C@@H](CO)CC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400348314 226341458 /nfs/dbraw/zinc/34/14/58/226341458.db2.gz LIBAFTHPGLYOIN-QJPTWQEYSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@H](NCCOCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400502997 226345143 /nfs/dbraw/zinc/34/51/43/226345143.db2.gz CNXVKXIBUXKDRO-ZFWWWQNUSA-N 1 3 248.370 1.791 10 0 BDAEHO CN(C[C@H]1CCCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666771 487714853 /nfs/dbraw/zinc/71/48/53/487714853.db2.gz QRZPYRYCLKTNFE-CHWSQXEVSA-N 1 3 226.364 1.629 10 0 BDAEHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](O)C2)C1 ZINC000250641368 487737444 /nfs/dbraw/zinc/73/74/44/487737444.db2.gz HKYDZCQMQKBYBU-RHYQMDGZSA-N 1 3 212.337 1.149 10 0 BDAEHO OCC[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000300215278 487772089 /nfs/dbraw/zinc/77/20/89/487772089.db2.gz VYXXIGQJYFKZDW-STQMWFEESA-N 1 3 226.364 1.080 10 0 BDAEHO OCC[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000300215278 487772091 /nfs/dbraw/zinc/77/20/91/487772091.db2.gz VYXXIGQJYFKZDW-STQMWFEESA-N 1 3 226.364 1.080 10 0 BDAEHO OCC[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000300215278 487772094 /nfs/dbraw/zinc/77/20/94/487772094.db2.gz VYXXIGQJYFKZDW-STQMWFEESA-N 1 3 226.364 1.080 10 0 BDAEHO C[C@@H]1CN2CCCC[C@H]2CN1C[C@@H]1CC[NH2+]C1 ZINC000251603658 487775397 /nfs/dbraw/zinc/77/53/97/487775397.db2.gz DEMDAZZJOXXXPM-MCIONIFRSA-N 1 3 237.391 1.155 10 0 BDAEHO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@@H]1CCCNC1 ZINC000667007660 487927948 /nfs/dbraw/zinc/92/79/48/487927948.db2.gz NCXAGDQSOMNRDF-QJPTWQEYSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@H](NC[C@@H](O)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000667007660 487927951 /nfs/dbraw/zinc/92/79/51/487927951.db2.gz NCXAGDQSOMNRDF-QJPTWQEYSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@H](NC[C@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000560970650 322993987 /nfs/dbraw/zinc/99/39/87/322993987.db2.gz KNPNAOKOCIKWMU-QJPTWQEYSA-N 1 3 212.337 1.143 10 0 BDAEHO C[C@H]([NH2+]CC[C@H]1CCCN1C)[C@@H]1CCCO1 ZINC000248577706 323025653 /nfs/dbraw/zinc/02/56/53/323025653.db2.gz HUJJEEFBVASECJ-XQQFMLRXSA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@H](NCC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCO1 ZINC000248577706 323025654 /nfs/dbraw/zinc/02/56/54/323025654.db2.gz HUJJEEFBVASECJ-XQQFMLRXSA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@H](NCC[C@H]1CCC[N@H+]1C)[C@@H]1CCCO1 ZINC000248577706 323025655 /nfs/dbraw/zinc/02/56/55/323025655.db2.gz HUJJEEFBVASECJ-XQQFMLRXSA-N 1 3 226.364 1.628 10 0 BDAEHO CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCNC2)C1(C)C ZINC000562958364 323035176 /nfs/dbraw/zinc/03/51/76/323035176.db2.gz CGUJUMQQLUUZJC-QNWHQSFQSA-N 1 3 240.391 1.778 10 0 BDAEHO CO[C@@H]1C[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000562958364 323035177 /nfs/dbraw/zinc/03/51/77/323035177.db2.gz CGUJUMQQLUUZJC-QNWHQSFQSA-N 1 3 240.391 1.778 10 0 BDAEHO CSC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000570153605 323051666 /nfs/dbraw/zinc/05/16/66/323051666.db2.gz NBXBMIJNXUNIBC-DCAQKATOSA-N 1 3 216.394 1.716 10 0 BDAEHO CSC[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000570153605 323051667 /nfs/dbraw/zinc/05/16/67/323051667.db2.gz NBXBMIJNXUNIBC-DCAQKATOSA-N 1 3 216.394 1.716 10 0 BDAEHO C[C@H]([NH2+]CCCc1ccccn1)[C@H]1CCCNC1 ZINC000571669335 323177116 /nfs/dbraw/zinc/17/71/16/323177116.db2.gz HQAOJHAJFIFDCO-KBPBESRZSA-N 1 3 247.386 1.992 10 0 BDAEHO C[C@H](NCCCc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000571669335 323177117 /nfs/dbraw/zinc/17/71/17/323177117.db2.gz HQAOJHAJFIFDCO-KBPBESRZSA-N 1 3 247.386 1.992 10 0 BDAEHO C[C@@H]([NH2+][C@H](CO)C1CCCCC1)C1CNC1 ZINC000566555624 326063431 /nfs/dbraw/zinc/06/34/31/326063431.db2.gz BZCMYRVYNPCPMF-ZWNOBZJWSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@@H](N[C@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000566555624 326063435 /nfs/dbraw/zinc/06/34/35/326063435.db2.gz BZCMYRVYNPCPMF-ZWNOBZJWSA-N 1 3 226.364 1.125 10 0 BDAEHO COC(=O)C(C)(C)CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566666221 326072406 /nfs/dbraw/zinc/07/24/06/326072406.db2.gz ZGCRRJCWZLACGF-MNOVXSKESA-N 1 3 242.363 1.163 10 0 BDAEHO COC(=O)C(C)(C)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000566666221 326072407 /nfs/dbraw/zinc/07/24/07/326072407.db2.gz ZGCRRJCWZLACGF-MNOVXSKESA-N 1 3 242.363 1.163 10 0 BDAEHO C[C@@H]1CC[C@@H](CN(C)[C@@H]2CCC[NH2+]CC2)O1 ZINC000226449315 488086093 /nfs/dbraw/zinc/08/60/93/488086093.db2.gz HOHHSTDJVKTSCG-UPJWGTAASA-N 1 3 226.364 1.628 10 0 BDAEHO C(C[C@@H]1CCCO1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127996420 490567729 /nfs/dbraw/zinc/56/77/29/490567729.db2.gz XSNCLKOMIIAARE-MCIONIFRSA-N 1 3 238.375 1.772 10 0 BDAEHO C(C[C@@H]1CCCO1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127996420 490567733 /nfs/dbraw/zinc/56/77/33/490567733.db2.gz XSNCLKOMIIAARE-MCIONIFRSA-N 1 3 238.375 1.772 10 0 BDAEHO C[C@H]1CC[C@@]2(CCCN2CCN(C)C)C[NH2+]1 ZINC000757127996 582503025 /nfs/dbraw/zinc/50/30/25/582503025.db2.gz IMWLYRMQYQRHDL-STQMWFEESA-N 1 3 225.380 1.155 10 0 BDAEHO COCC[C@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC000757133746 582509976 /nfs/dbraw/zinc/50/99/76/582509976.db2.gz UBXGLMPGVVJKSP-STQMWFEESA-N 1 3 226.364 1.629 10 0 BDAEHO COCC[C@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC000757133746 582509977 /nfs/dbraw/zinc/50/99/77/582509977.db2.gz UBXGLMPGVVJKSP-STQMWFEESA-N 1 3 226.364 1.629 10 0 BDAEHO CC[C@]1(C)CCO[C@@]2(CCC[N@H+](C)CC2)N1 ZINC000757146315 582529617 /nfs/dbraw/zinc/52/96/17/582529617.db2.gz KOOCTDPSEOUFND-CHWSQXEVSA-N 1 3 226.364 1.977 10 0 BDAEHO CC[C@]1(C)CCO[C@@]2(CCC[N@@H+](C)CC2)N1 ZINC000757146315 582529619 /nfs/dbraw/zinc/52/96/19/582529619.db2.gz KOOCTDPSEOUFND-CHWSQXEVSA-N 1 3 226.364 1.977 10 0 BDAEHO CC[C@]1(C)CCO[C@@]2(CCCN(C)CC2)[NH2+]1 ZINC000757146315 582529620 /nfs/dbraw/zinc/52/96/20/582529620.db2.gz KOOCTDPSEOUFND-CHWSQXEVSA-N 1 3 226.364 1.977 10 0 BDAEHO C[C@H](NCC1(O)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400575620 533834648 /nfs/dbraw/zinc/83/46/48/533834648.db2.gz OUOBHBPGVQBXOK-NWDGAFQWSA-N 1 3 226.364 1.269 10 0 BDAEHO C[C@H](NC[C@@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+]C1 ZINC000400552082 533888064 /nfs/dbraw/zinc/88/80/64/533888064.db2.gz YAPDZRHORVIBKC-YUTCNCBUSA-N 1 3 246.354 1.578 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000306708201 527820972 /nfs/dbraw/zinc/82/09/72/527820972.db2.gz SNDIWFIHFNNRCZ-UTLUCORTSA-N 1 3 214.378 1.597 10 0 BDAEHO CC1(C)SC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CN ZINC000306708201 527820978 /nfs/dbraw/zinc/82/09/78/527820978.db2.gz SNDIWFIHFNNRCZ-UTLUCORTSA-N 1 3 214.378 1.597 10 0 BDAEHO CC(C)SCCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400586220 528321018 /nfs/dbraw/zinc/32/10/18/528321018.db2.gz SASLDCHZOGCYTQ-WDEREUQCSA-N 1 3 216.394 1.716 10 0 BDAEHO CC(C)SCCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400586213 528321055 /nfs/dbraw/zinc/32/10/55/528321055.db2.gz SASLDCHZOGCYTQ-MNOVXSKESA-N 1 3 216.394 1.716 10 0 BDAEHO CCC[C@](C)(O)CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400427491 528484770 /nfs/dbraw/zinc/48/47/70/528484770.db2.gz ZCENNFSACSIILK-SRVKXCTJSA-N 1 3 214.353 1.125 10 0 BDAEHO CCC[C@](C)(O)CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400427494 528485152 /nfs/dbraw/zinc/48/51/52/528485152.db2.gz ZCENNFSACSIILK-TUAOUCFPSA-N 1 3 214.353 1.125 10 0 BDAEHO CCN(CCN[C@H](C)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000400501629 528518101 /nfs/dbraw/zinc/51/81/01/528518101.db2.gz GWMPPTWFWQULMT-VXGBXAGGSA-N 1 3 225.380 1.058 10 0 BDAEHO CCCCOCCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400744807 528586861 /nfs/dbraw/zinc/58/68/61/528586861.db2.gz UHBXUOCTKPMRER-STQMWFEESA-N 1 3 228.380 1.781 10 0 BDAEHO CCC(O)(CC)CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400336798 528975082 /nfs/dbraw/zinc/97/50/82/528975082.db2.gz DNUXVMHXSBENIX-QWRGUYRKSA-N 1 3 214.353 1.125 10 0 BDAEHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@H](CCO)C1 ZINC000252742237 536357859 /nfs/dbraw/zinc/35/78/59/536357859.db2.gz JQRICNAUWKGZMH-KGLIPLIRSA-N 1 3 240.391 1.565 10 0 BDAEHO C[N@H+]1CCCC[C@H]1CCN1CC[C@H](CCO)C1 ZINC000252742237 536357862 /nfs/dbraw/zinc/35/78/62/536357862.db2.gz JQRICNAUWKGZMH-KGLIPLIRSA-N 1 3 240.391 1.565 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@]2(CCCN2CCN(C)C)C1 ZINC000757125182 582500250 /nfs/dbraw/zinc/50/02/50/582500250.db2.gz DDGRKOOKGLUBIR-STQMWFEESA-N 1 3 225.380 1.012 10 0 BDAEHO C[C@H]1[NH2+]CCC[C@]12CCCN2CCN(C)C ZINC000757134174 582510727 /nfs/dbraw/zinc/51/07/27/582510727.db2.gz WLUJOXCGSLKXBQ-OLZOCXBDSA-N 1 3 225.380 1.155 10 0 BDAEHO C1NCC12CC[NH2+]C1(CCCCCCC1)O2 ZINC000757141958 582522346 /nfs/dbraw/zinc/52/23/46/582522346.db2.gz ATDBYBLHVOLUBV-UHFFFAOYSA-N 1 3 224.348 1.779 10 0 BDAEHO C[C@@H]1CC(C)(C)OC2(CCN(C)CC2)[NH2+]1 ZINC000757142811 582522814 /nfs/dbraw/zinc/52/28/14/582522814.db2.gz DKUILACXWNCQKS-SNVBAGLBSA-N 1 3 212.337 1.585 10 0 BDAEHO CCC[C@H]1CCOC2(CCN(CC)CC2)[NH2+]1 ZINC000757149897 582534337 /nfs/dbraw/zinc/53/43/37/582534337.db2.gz WVSXAUPIZBTKFX-LBPRGKRZSA-N 1 3 226.364 1.977 10 0 BDAEHO C[C@@H]1CC(C)(C)O[C@@]2(CCCN(C)CC2)[NH2+]1 ZINC000757153711 582538429 /nfs/dbraw/zinc/53/84/29/582538429.db2.gz WYTARFGGWJKATD-DGCLKSJQSA-N 1 3 226.364 1.975 10 0 BDAEHO [NH3+][C@H]1CCNC[C@@H]1c1cccc2cc[nH]c21 ZINC000757209000 582559863 /nfs/dbraw/zinc/55/98/63/582559863.db2.gz CZGFNQGGFRBQCS-NEPJUHHUSA-N 1 3 215.300 1.572 10 0 BDAEHO CC(C)CN1CCN([C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396623663 583086812 /nfs/dbraw/zinc/08/68/12/583086812.db2.gz DECHGTWSZKLZLO-KBPBESRZSA-N 1 3 239.407 1.401 10 0 BDAEHO COCCC[N@@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757130860 586426520 /nfs/dbraw/zinc/42/65/20/586426520.db2.gz OKFGBVQXBQCOFL-CHWSQXEVSA-N 1 3 226.364 1.487 10 0 BDAEHO COCCC[N@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757130860 586426522 /nfs/dbraw/zinc/42/65/22/586426522.db2.gz OKFGBVQXBQCOFL-CHWSQXEVSA-N 1 3 226.364 1.487 10 0 BDAEHO CC(C)(C)[C@@H]1CCOC2(CCNCC2)[NH2+]1 ZINC000757139711 586427704 /nfs/dbraw/zinc/42/77/04/586427704.db2.gz JJDUQTAUMZMEQS-JTQLQIEISA-N 1 3 212.337 1.491 10 0 BDAEHO CC(=O)c1ccc([C@@H]2C[NH2+]CC[C@@H]2N)cc1 ZINC000757213427 586439921 /nfs/dbraw/zinc/43/99/21/586439921.db2.gz KEIGGQGJKMKQHU-STQMWFEESA-N 1 3 218.300 1.293 10 0 BDAEHO CC(=O)c1ccc([C@@H]2CNCC[C@@H]2[NH3+])cc1 ZINC000757213427 586439922 /nfs/dbraw/zinc/43/99/22/586439922.db2.gz KEIGGQGJKMKQHU-STQMWFEESA-N 1 3 218.300 1.293 10 0 BDAEHO C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2cccc(N)c2)N1 ZINC000757220112 586442384 /nfs/dbraw/zinc/44/23/84/586442384.db2.gz ZYHQSEAMNPEFBZ-IRUJWGPZSA-N 1 3 219.332 1.657 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1N[C@@H](C)CC[C@H]1C[NH3+] ZINC000757238524 586444273 /nfs/dbraw/zinc/44/42/73/586444273.db2.gz SNBNPHHBLVWCQI-COPLHBTASA-N 1 3 233.359 1.965 10 0 BDAEHO CC(C)OC[C@H](O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000227734777 640846602 /nfs/dbraw/zinc/84/66/02/640846602.db2.gz COQROLKSQMNNLO-CHWSQXEVSA-N 1 3 246.395 1.078 10 0 BDAEHO N[C@@H]1CCCCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000708993493 712205336 /nfs/dbraw/zinc/20/53/36/712205336.db2.gz QLNNWDZLLODWRH-NEPJUHHUSA-N 1 3 212.337 1.369 10 0 BDAEHO N[C@@H]1CCCCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000708993493 712205337 /nfs/dbraw/zinc/20/53/37/712205337.db2.gz QLNNWDZLLODWRH-NEPJUHHUSA-N 1 3 212.337 1.369 10 0 BDAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CSC1(C)C)[NH2+]2 ZINC000709344546 712220165 /nfs/dbraw/zinc/22/01/65/712220165.db2.gz JSQDOAPTQVFSOY-ROHXPCBUSA-N 1 3 240.416 1.999 10 0 BDAEHO CCC[C@H](N)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029510 712800182 /nfs/dbraw/zinc/80/01/82/712800182.db2.gz LWUDOHZSLRQLON-NEPJUHHUSA-N 1 3 241.379 1.104 10 0 BDAEHO CCCN1CC[C@H]([NH3+])C12CCSCC2 ZINC000606282893 538929778 /nfs/dbraw/zinc/92/97/78/538929778.db2.gz FPBIGKVTAPOQBA-JTQLQIEISA-N 1 3 214.378 1.695 10 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ZINC000019254980 168399232 /nfs/dbraw/zinc/39/92/32/168399232.db2.gz KCHKBEMSOJMYTG-CQSZACIVSA-N 1 3 241.423 1.776 10 0 BDAEHO C[C@H]1C[NH+]=C(NCC(C)(C)N(C)C)S1 ZINC000043412005 343066348 /nfs/dbraw/zinc/06/63/48/343066348.db2.gz QVAOSKFCESIBPE-QMMMGPOBSA-N 1 3 215.366 1.408 10 0 BDAEHO CN1CCC(Nc2cc(N)cc[nH+]2)CC1 ZINC000043568882 343173596 /nfs/dbraw/zinc/17/35/96/343173596.db2.gz OVBNYNCHQZBDFS-UHFFFAOYSA-N 1 3 206.293 1.170 10 0 BDAEHO CCC[N@@H+]1CC[C@@H](N)C12CCN(C1CC1)CC2 ZINC000712083519 537783464 /nfs/dbraw/zinc/78/34/64/537783464.db2.gz DIQWCIRBAUITKB-CYBMUJFWSA-N 1 3 237.391 1.426 10 0 BDAEHO CCC[N@H+]1CC[C@@H](N)C12CCN(C1CC1)CC2 ZINC000712083519 537783475 /nfs/dbraw/zinc/78/34/75/537783475.db2.gz DIQWCIRBAUITKB-CYBMUJFWSA-N 1 3 237.391 1.426 10 0 BDAEHO [NH3+]CCCN1CCC[C@]2(CCCCO2)C1 ZINC000409425879 343820982 /nfs/dbraw/zinc/82/09/82/343820982.db2.gz HEPQZUKENCYTJC-GFCCVEGCSA-N 1 3 212.337 1.370 10 0 BDAEHO [NH3+]CCCN(C1CC1)[C@@H]1CCSC1 ZINC000409433536 343829125 /nfs/dbraw/zinc/82/91/25/343829125.db2.gz MXOHTCBGQSNKLC-SNVBAGLBSA-N 1 3 200.351 1.305 10 0 BDAEHO CCOC[C@@H]1C[N@@H+](C2CCNCC2)C[C@@H]1C ZINC000409435585 343834230 /nfs/dbraw/zinc/83/42/30/343834230.db2.gz VLVWIBMQTBAGLV-RYUDHWBXSA-N 1 3 226.364 1.343 10 0 BDAEHO CCOC[C@@H]1C[N@H+](C2CCNCC2)C[C@@H]1C ZINC000409435585 343834234 /nfs/dbraw/zinc/83/42/34/343834234.db2.gz VLVWIBMQTBAGLV-RYUDHWBXSA-N 1 3 226.364 1.343 10 0 BDAEHO OC[C@@]12C[N@@H+](C3CCNCC3)C[C@H]1CCCC2 ZINC000409435594 343834502 /nfs/dbraw/zinc/83/45/02/343834502.db2.gz VOUUQZXGPPCBRE-TZMCWYRMSA-N 1 3 238.375 1.223 10 0 BDAEHO OC[C@@]12C[N@H+](C3CCNCC3)C[C@H]1CCCC2 ZINC000409435594 343834503 /nfs/dbraw/zinc/83/45/03/343834503.db2.gz VOUUQZXGPPCBRE-TZMCWYRMSA-N 1 3 238.375 1.223 10 0 BDAEHO COC[C@@]12CCC[C@H]1C[N@@H+](C1CCNCC1)C2 ZINC000409435036 343835636 /nfs/dbraw/zinc/83/56/36/343835636.db2.gz SBWLFHSGMLGBCY-JSGCOSHPSA-N 1 3 238.375 1.487 10 0 BDAEHO COC[C@@]12CCC[C@H]1C[N@H+](C1CCNCC1)C2 ZINC000409435036 343835639 /nfs/dbraw/zinc/83/56/39/343835639.db2.gz SBWLFHSGMLGBCY-JSGCOSHPSA-N 1 3 238.375 1.487 10 0 BDAEHO COC[C@]12CCC[C@@H]1C[N@@H+](C1CCNCC1)C2 ZINC000409435038 343835782 /nfs/dbraw/zinc/83/57/82/343835782.db2.gz SBWLFHSGMLGBCY-TZMCWYRMSA-N 1 3 238.375 1.487 10 0 BDAEHO COC[C@]12CCC[C@@H]1C[N@H+](C1CCNCC1)C2 ZINC000409435038 343835783 /nfs/dbraw/zinc/83/57/83/343835783.db2.gz SBWLFHSGMLGBCY-TZMCWYRMSA-N 1 3 238.375 1.487 10 0 BDAEHO C[C@@H](N[C@H]1CC[C@H]([NH3+])CC1)c1cnccn1 ZINC000257352653 344105684 /nfs/dbraw/zinc/10/56/84/344105684.db2.gz MMEXWKAMBZHGLP-GMTAPVOTSA-N 1 3 220.320 1.397 10 0 BDAEHO C[C@H]([NH3+])CCN1C[C@H](C)S[C@@H](C)C1 ZINC000226682451 344122306 /nfs/dbraw/zinc/12/23/06/344122306.db2.gz JEHUFOMHUTWEDH-GUBZILKMSA-N 1 3 202.367 1.550 10 0 BDAEHO C[C@@H]1CN(C2CCSCC2)C[C@@H]1[NH3+] ZINC000235333498 344887330 /nfs/dbraw/zinc/88/73/30/344887330.db2.gz LQBKOHAIGIWYFC-SCZZXKLOSA-N 1 3 200.351 1.161 10 0 BDAEHO C[NH+](C)C[C@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC000248124986 345047777 /nfs/dbraw/zinc/04/77/77/345047777.db2.gz OHDTZRJUOWDDLP-HUUCEWRRSA-N 1 3 248.370 1.431 10 0 BDAEHO CO[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000570953499 323082811 /nfs/dbraw/zinc/08/28/11/323082811.db2.gz GIUWDHJQPQNUQB-RWMBFGLXSA-N 1 3 228.380 1.635 10 0 BDAEHO CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)C(C)C ZINC000570953499 323082812 /nfs/dbraw/zinc/08/28/12/323082812.db2.gz GIUWDHJQPQNUQB-RWMBFGLXSA-N 1 3 228.380 1.635 10 0 BDAEHO C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC000248152329 345059579 /nfs/dbraw/zinc/05/95/79/345059579.db2.gz XXYORQBLIVDNEL-UONOGXRCSA-N 1 3 234.343 1.089 10 0 BDAEHO CC[C@H](N)[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061917077 346180132 /nfs/dbraw/zinc/18/01/32/346180132.db2.gz LUSHDEIRGGAERP-VWYCJHECSA-N 1 3 200.326 1.223 10 0 BDAEHO CC[C@H](N)[C@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000061917077 346180135 /nfs/dbraw/zinc/18/01/35/346180135.db2.gz LUSHDEIRGGAERP-VWYCJHECSA-N 1 3 200.326 1.223 10 0 BDAEHO CN1CCC[C@H]1c1cncc(CCC[NH3+])c1 ZINC000199024835 349070232 /nfs/dbraw/zinc/07/02/32/349070232.db2.gz XXOVWVKHRYRBHY-ZDUSSCGKSA-N 1 3 219.332 1.740 10 0 BDAEHO CNc1cccc([C@@H]2CC[N@H+](CCN)C2)c1 ZINC000616614615 350836279 /nfs/dbraw/zinc/83/62/79/350836279.db2.gz SBMHCLYLMMTJAH-GFCCVEGCSA-N 1 3 219.332 1.476 10 0 BDAEHO CNc1cccc([C@@H]2CC[N@@H+](CCN)C2)c1 ZINC000616614615 350836280 /nfs/dbraw/zinc/83/62/80/350836280.db2.gz SBMHCLYLMMTJAH-GFCCVEGCSA-N 1 3 219.332 1.476 10 0 BDAEHO C[C@@H]1C[C@H](NC(N)=[NH2+])CCN1Cc1ccccc1 ZINC000306830933 351145584 /nfs/dbraw/zinc/14/55/84/351145584.db2.gz LXXPHOVTEDRCFA-DGCLKSJQSA-N 1 3 246.358 1.523 10 0 BDAEHO CSC1CC[NH+]([C@@H](C)[C@H](C)N)CC1 ZINC000307148466 351502370 /nfs/dbraw/zinc/50/23/70/351502370.db2.gz QDEQABDWHKRZPL-IUCAKERBSA-N 1 3 202.367 1.550 10 0 BDAEHO C[C@@H]1C[C@H]([NH2+]C2CCNCC2)CS1 ZINC000307233306 351698996 /nfs/dbraw/zinc/69/89/96/351698996.db2.gz CMQUMJYZNZVGPF-SCZZXKLOSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@@H]1C[C@H](NC2CC[NH2+]CC2)CS1 ZINC000307233306 351698997 /nfs/dbraw/zinc/69/89/97/351698997.db2.gz CMQUMJYZNZVGPF-SCZZXKLOSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@@H]1[C@H](N)CC[N@@H+]1CC1CC(F)(F)C1 ZINC000307254573 351789606 /nfs/dbraw/zinc/78/96/06/351789606.db2.gz XZXDHQDSMGBNAX-VXNVDRBHSA-N 1 3 204.264 1.453 10 0 BDAEHO C[C@@H]1[C@H](N)CC[N@H+]1CC1CC(F)(F)C1 ZINC000307254573 351789610 /nfs/dbraw/zinc/78/96/10/351789610.db2.gz XZXDHQDSMGBNAX-VXNVDRBHSA-N 1 3 204.264 1.453 10 0 BDAEHO CC[NH2+][C@H](C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000638071001 351943568 /nfs/dbraw/zinc/94/35/68/351943568.db2.gz DBWUHZDXXVOUDE-NEPJUHHUSA-N 1 3 243.395 1.077 10 0 BDAEHO C[C@H]1C[N@H+](C)CC[C@H]1NC1CSC1 ZINC000307296365 351907039 /nfs/dbraw/zinc/90/70/39/351907039.db2.gz QSAJMHOYONZMBX-WCBMZHEXSA-N 1 3 200.351 1.032 10 0 BDAEHO C[C@H]1C[N@@H+](C)CC[C@H]1NC1CSC1 ZINC000307296365 351907041 /nfs/dbraw/zinc/90/70/41/351907041.db2.gz QSAJMHOYONZMBX-WCBMZHEXSA-N 1 3 200.351 1.032 10 0 BDAEHO C[C@@H]1CSCC[N@@H+]([C@@H]2CC[C@@H]2CN)C1 ZINC000307461994 352611029 /nfs/dbraw/zinc/61/10/29/352611029.db2.gz GAATWQHDLFUULT-HBNTYKKESA-N 1 3 214.378 1.409 10 0 BDAEHO C[C@@H]1CSCC[N@H+]([C@@H]2CC[C@@H]2CN)C1 ZINC000307461994 352611032 /nfs/dbraw/zinc/61/10/32/352611032.db2.gz GAATWQHDLFUULT-HBNTYKKESA-N 1 3 214.378 1.409 10 0 BDAEHO C[C@@H]1CSCCN([C@@H]2CC[C@@H]2C[NH3+])C1 ZINC000307461994 352611034 /nfs/dbraw/zinc/61/10/34/352611034.db2.gz GAATWQHDLFUULT-HBNTYKKESA-N 1 3 214.378 1.409 10 0 BDAEHO N[C@H]1CCC[N@H+](C[C@H]2CCCSC2)C1 ZINC000307703571 353046435 /nfs/dbraw/zinc/04/64/35/353046435.db2.gz VTVFSKMXNOBQQC-MNOVXSKESA-N 1 3 214.378 1.553 10 0 BDAEHO N[C@H]1CCC[N@@H+](C[C@H]2CCCSC2)C1 ZINC000307703571 353046437 /nfs/dbraw/zinc/04/64/37/353046437.db2.gz VTVFSKMXNOBQQC-MNOVXSKESA-N 1 3 214.378 1.553 10 0 BDAEHO CC(C)N(Cc1ccccc1)C[C@@H](O)C[NH3+] ZINC000019280095 188106728 /nfs/dbraw/zinc/10/67/28/188106728.db2.gz XNCKYPANXYTZCU-ZDUSSCGKSA-N 1 3 222.332 1.217 10 0 BDAEHO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)CN ZINC000019280095 188106729 /nfs/dbraw/zinc/10/67/29/188106729.db2.gz XNCKYPANXYTZCU-ZDUSSCGKSA-N 1 3 222.332 1.217 10 0 BDAEHO CC(C)[N@H+](Cc1ccccc1)C[C@@H](O)CN ZINC000019280095 188106730 /nfs/dbraw/zinc/10/67/30/188106730.db2.gz XNCKYPANXYTZCU-ZDUSSCGKSA-N 1 3 222.332 1.217 10 0 BDAEHO CC(C)N1CCN([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000036170898 188112791 /nfs/dbraw/zinc/11/27/91/188112791.db2.gz AQIOVHYNPSRZEL-QWHCGFSZSA-N 1 3 225.380 1.282 10 0 BDAEHO CC(C)N(CCCO)Cc1cccc(C(N)=[NH2+])c1 ZINC000042508080 188120683 /nfs/dbraw/zinc/12/06/83/188120683.db2.gz YMUSPHAVNPBDTG-UHFFFAOYSA-N 1 3 249.358 1.563 10 0 BDAEHO COc1ccc([C@H]2CNCC[C@H]2[NH3+])cc1 ZINC000211544498 353719965 /nfs/dbraw/zinc/71/99/65/353719965.db2.gz OJFLHQIKOUJJIH-VXGBXAGGSA-N 1 3 206.289 1.099 10 0 BDAEHO COc1ccc([C@H]2C[NH2+]CC[C@H]2N)cc1 ZINC000211544498 353719967 /nfs/dbraw/zinc/71/99/67/353719967.db2.gz OJFLHQIKOUJJIH-VXGBXAGGSA-N 1 3 206.289 1.099 10 0 BDAEHO NC(=[NH2+])CCCN1CCc2sccc2C1 ZINC000019440070 181186859 /nfs/dbraw/zinc/18/68/59/181186859.db2.gz TXXKZGUILAZTAR-UHFFFAOYSA-N 1 3 223.345 1.822 10 0 BDAEHO NC(=[NH2+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000072266128 181192209 /nfs/dbraw/zinc/19/22/09/181192209.db2.gz VAIVSKGFZNXHER-NSHDSACASA-N 1 3 203.289 1.444 10 0 BDAEHO C[C@@H]1COC[C@@H](C)N1CC[C@@H]1CCC[NH2+]C1 ZINC000420303502 192207346 /nfs/dbraw/zinc/20/73/46/192207346.db2.gz NNZRWZVRPPWAGS-UPJWGTAASA-N 1 3 226.364 1.485 10 0 BDAEHO CC(C)OCCC[N@@H+]1C[C@H](C)[C@H](N)C1 ZINC000420354529 192219835 /nfs/dbraw/zinc/21/98/35/192219835.db2.gz BOXXJTNZILQNOO-WDEREUQCSA-N 1 3 200.326 1.081 10 0 BDAEHO CC(C)OCCC[N@H+]1C[C@H](C)[C@H](N)C1 ZINC000420354529 192219838 /nfs/dbraw/zinc/21/98/38/192219838.db2.gz BOXXJTNZILQNOO-WDEREUQCSA-N 1 3 200.326 1.081 10 0 BDAEHO CC(C)OCCC[N@H+]1C[C@H](N)[C@@H](C)C1 ZINC000420354527 192220467 /nfs/dbraw/zinc/22/04/67/192220467.db2.gz BOXXJTNZILQNOO-QWRGUYRKSA-N 1 3 200.326 1.081 10 0 BDAEHO CC(C)OCCC[N@@H+]1C[C@H](N)[C@@H](C)C1 ZINC000420354527 192220469 /nfs/dbraw/zinc/22/04/69/192220469.db2.gz BOXXJTNZILQNOO-QWRGUYRKSA-N 1 3 200.326 1.081 10 0 BDAEHO [NH3+][C@@H]1C=C(CC[C@H]2CCCCO2)CNC1 ZINC000675079127 538518165 /nfs/dbraw/zinc/51/81/65/538518165.db2.gz WQKRILCXZDSKIG-VXGBXAGGSA-N 1 3 210.321 1.193 10 0 BDAEHO C[C@@H](NCCc1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000582480705 357316965 /nfs/dbraw/zinc/31/69/65/357316965.db2.gz QRGBEMHHAOBOSG-TZMCWYRMSA-N 1 3 233.359 1.602 10 0 BDAEHO C[C@@H]([NH2+]CCc1cccnc1)[C@@H]1CCCNC1 ZINC000582480705 357316968 /nfs/dbraw/zinc/31/69/68/357316968.db2.gz QRGBEMHHAOBOSG-TZMCWYRMSA-N 1 3 233.359 1.602 10 0 BDAEHO CCOc1ccc([C@@H]2CCNC[C@H]2[NH3+])cc1 ZINC000685948588 538891143 /nfs/dbraw/zinc/89/11/43/538891143.db2.gz QRAFEXXOVXNDQE-QWHCGFSZSA-N 1 3 220.316 1.490 10 0 BDAEHO CO[C@@H]1CCC[N@@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685951389 538894550 /nfs/dbraw/zinc/89/45/50/538894550.db2.gz RUUZHICKVWVEAJ-XQHKEYJVSA-N 1 3 226.364 1.341 10 0 BDAEHO CO[C@@H]1CCC[N@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685951389 538894551 /nfs/dbraw/zinc/89/45/51/538894551.db2.gz RUUZHICKVWVEAJ-XQHKEYJVSA-N 1 3 226.364 1.341 10 0 BDAEHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1ccc(C)o1 ZINC000234740525 357834735 /nfs/dbraw/zinc/83/47/35/357834735.db2.gz JGINEWINQCGPLN-NWDGAFQWSA-N 1 3 240.347 1.993 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[C@@H](N)C1 ZINC000306496149 360223171 /nfs/dbraw/zinc/22/31/71/360223171.db2.gz XDNVKGCJSCKKQQ-JXUBOQSCSA-N 1 3 200.351 1.350 10 0 BDAEHO C[C@@H]1SCC[C@@H]1N[C@H]1CC[C@@H]([NH3+])C1 ZINC000306496149 360223175 /nfs/dbraw/zinc/22/31/75/360223175.db2.gz XDNVKGCJSCKKQQ-JXUBOQSCSA-N 1 3 200.351 1.350 10 0 BDAEHO CC1(C)CN([C@@H]2CCSC2)CCC[NH2+]1 ZINC000231421879 360335902 /nfs/dbraw/zinc/33/59/02/360335902.db2.gz PGGIIWDTEDIGEP-SNVBAGLBSA-N 1 3 214.378 1.566 10 0 BDAEHO C[C@@H]1CNCC[C@@H]1[N@@H+]1CCSC[C@H]1C ZINC000306532669 360392384 /nfs/dbraw/zinc/39/23/84/360392384.db2.gz BZMUPNAIEDWXFZ-MXWKQRLJSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@@H]1CNCC[C@@H]1[N@H+]1CCSC[C@H]1C ZINC000306532669 360392386 /nfs/dbraw/zinc/39/23/86/360392386.db2.gz BZMUPNAIEDWXFZ-MXWKQRLJSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@H]1CCC[N@@H+](C2(CN)CSC2)C1 ZINC000306592458 360511053 /nfs/dbraw/zinc/51/10/53/360511053.db2.gz WJCOCMVYASZWHR-VIFPVBQESA-N 1 3 200.351 1.163 10 0 BDAEHO C[C@H]1CCC[N@H+](C2(CN)CSC2)C1 ZINC000306592458 360511055 /nfs/dbraw/zinc/51/10/55/360511055.db2.gz WJCOCMVYASZWHR-VIFPVBQESA-N 1 3 200.351 1.163 10 0 BDAEHO NC1(C[N@@H+]2CCCSCC2)CCCC1 ZINC000042444964 181330735 /nfs/dbraw/zinc/33/07/35/181330735.db2.gz ZADPRLVPBITJIM-UHFFFAOYSA-N 1 3 214.378 1.697 10 0 BDAEHO NC1(C[N@H+]2CCCSCC2)CCCC1 ZINC000042444964 181330737 /nfs/dbraw/zinc/33/07/37/181330737.db2.gz ZADPRLVPBITJIM-UHFFFAOYSA-N 1 3 214.378 1.697 10 0 BDAEHO [NH3+]C[C@H]1CCC[C@H]1NCC1=CCCOC1 ZINC000379735538 361374821 /nfs/dbraw/zinc/37/48/21/361374821.db2.gz JAVFMMGVTICWII-VXGBXAGGSA-N 1 3 210.321 1.050 10 0 BDAEHO NC[C@H]1CCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379735538 361374828 /nfs/dbraw/zinc/37/48/28/361374828.db2.gz JAVFMMGVTICWII-VXGBXAGGSA-N 1 3 210.321 1.050 10 0 BDAEHO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)[C@H]2CCCNC2)C1 ZINC000629554499 361442922 /nfs/dbraw/zinc/44/29/22/361442922.db2.gz JXSCNSVDUKJACO-ZDEQEGDKSA-N 1 3 226.364 1.389 10 0 BDAEHO [NH3+]C1CCN(C2CCC3(CC2)OCCO3)CC1 ZINC000020521503 181343209 /nfs/dbraw/zinc/34/32/09/181343209.db2.gz FOQKTMFVBFDFGM-UHFFFAOYSA-N 1 3 240.347 1.095 10 0 BDAEHO CCCCN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630354782 364077636 /nfs/dbraw/zinc/07/76/36/364077636.db2.gz AYCMXHCWESRCDL-QWRGUYRKSA-N 1 3 200.326 1.225 10 0 BDAEHO CO[C@@H]1CN(CC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630365888 364083006 /nfs/dbraw/zinc/08/30/06/364083006.db2.gz WQTXSQJQBQMOJH-RYUDHWBXSA-N 1 3 212.337 1.225 10 0 BDAEHO C[NH2+]CCOCCNc1ccnc2ccccc21 ZINC000630530627 364219132 /nfs/dbraw/zinc/21/91/32/364219132.db2.gz MXWFOTXIRWAHMK-UHFFFAOYSA-N 1 3 245.326 1.305 10 0 BDAEHO CO[C@@H]([C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1)C1CC1 ZINC000579822392 367023798 /nfs/dbraw/zinc/02/37/98/367023798.db2.gz GVKHLIROASEFIM-VTPLQMEGSA-N 1 3 240.391 1.778 10 0 BDAEHO CO[C@@H]([C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000579822392 367023807 /nfs/dbraw/zinc/02/38/07/367023807.db2.gz GVKHLIROASEFIM-VTPLQMEGSA-N 1 3 240.391 1.778 10 0 BDAEHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(O)c1 ZINC000383914915 367658455 /nfs/dbraw/zinc/65/84/55/367658455.db2.gz GDUYLLXNSBWQBX-DGCLKSJQSA-N 1 3 220.316 1.609 10 0 BDAEHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(O)c1 ZINC000383914918 367658750 /nfs/dbraw/zinc/65/87/50/367658750.db2.gz GDUYLLXNSBWQBX-YPMHNXCESA-N 1 3 220.316 1.609 10 0 BDAEHO OC[C@H]([NH2+]C1CCNCC1)C1CCCCC1 ZINC000386201358 367929135 /nfs/dbraw/zinc/92/91/35/367929135.db2.gz FRYSNIKDYIMECN-ZDUSSCGKSA-N 1 3 226.364 1.269 10 0 BDAEHO OC[C@H](NC1CC[NH2+]CC1)C1CCCCC1 ZINC000386201358 367929140 /nfs/dbraw/zinc/92/91/40/367929140.db2.gz FRYSNIKDYIMECN-ZDUSSCGKSA-N 1 3 226.364 1.269 10 0 BDAEHO CCN1CCC[C@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000386017501 367898635 /nfs/dbraw/zinc/89/86/35/367898635.db2.gz NXMMKXIXEMSACB-MELADBBJSA-N 1 3 239.407 1.591 10 0 BDAEHO C[C@@H]1CN([C@@H]2CC[C@H]2C[NH3+])CCS1 ZINC000252982956 368178002 /nfs/dbraw/zinc/17/80/02/368178002.db2.gz YPJSJJBXXBTJEN-KXUCPTDWSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(N)=[NH2+] ZINC000306876903 372074367 /nfs/dbraw/zinc/07/43/67/372074367.db2.gz CBMGVEHJPYJJIR-DGCLKSJQSA-N 1 3 246.358 1.380 10 0 BDAEHO Cc1nccn1CCC[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631837792 372629716 /nfs/dbraw/zinc/62/97/16/372629716.db2.gz FMFIYEACABBTIO-WCQYABFASA-N 1 3 236.363 1.108 10 0 BDAEHO Cc1nccn1CCC[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631837792 372629721 /nfs/dbraw/zinc/62/97/21/372629721.db2.gz FMFIYEACABBTIO-WCQYABFASA-N 1 3 236.363 1.108 10 0 BDAEHO C[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1CN ZINC000631838633 372634349 /nfs/dbraw/zinc/63/43/49/372634349.db2.gz RXFUTSRGOYQZLY-GRYCIOLGSA-N 1 3 212.337 1.082 10 0 BDAEHO C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1CN ZINC000631838633 372634353 /nfs/dbraw/zinc/63/43/53/372634353.db2.gz RXFUTSRGOYQZLY-GRYCIOLGSA-N 1 3 212.337 1.082 10 0 BDAEHO Cc1cccc(OCCN2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843188 372640796 /nfs/dbraw/zinc/64/07/96/372640796.db2.gz KDNSMHMLXCPQRW-KGLIPLIRSA-N 1 3 248.370 1.900 10 0 BDAEHO Cc1cccc(OCCN2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843187 372640929 /nfs/dbraw/zinc/64/09/29/372640929.db2.gz KDNSMHMLXCPQRW-KBPBESRZSA-N 1 3 248.370 1.900 10 0 BDAEHO CCC[N@H+](CCN(C)C)[C@@H](CN)C1CCCC1 ZINC000050272412 169157447 /nfs/dbraw/zinc/15/74/47/169157447.db2.gz RNRBMYYZFUUCAB-AWEZNQCLSA-N 1 3 241.423 1.778 10 0 BDAEHO CCC[N@@H+](CCN(C)C)[C@@H](CN)C1CCCC1 ZINC000050272412 169157449 /nfs/dbraw/zinc/15/74/49/169157449.db2.gz RNRBMYYZFUUCAB-AWEZNQCLSA-N 1 3 241.423 1.778 10 0 BDAEHO CCC[NH+]1CCC(NC2=N[C@@H](C)CS2)CC1 ZINC000049559148 169187902 /nfs/dbraw/zinc/18/79/02/169187902.db2.gz DAISJRQGGOHKCL-JTQLQIEISA-N 1 3 241.404 1.942 10 0 BDAEHO CCCN1CCN(C[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000053860718 169202528 /nfs/dbraw/zinc/20/25/28/169202528.db2.gz QPBZORNFHNNVKP-CHWSQXEVSA-N 1 3 225.380 1.141 10 0 BDAEHO CCCN1CCN([C@@](C)(C[NH3+])CC(C)C)CC1 ZINC000019504875 169203414 /nfs/dbraw/zinc/20/34/14/169203414.db2.gz FMQQMUCZHPMJSA-CQSZACIVSA-N 1 3 241.423 1.778 10 0 BDAEHO CCCN1CCN(C[C@H](C)[NH2+]CC)CC1 ZINC000044471616 169203866 /nfs/dbraw/zinc/20/38/66/169203866.db2.gz GNXQSVYFTTZXDA-LBPRGKRZSA-N 1 3 213.369 1.012 10 0 BDAEHO CCC[NH2+]C[C@@H](C)N1CCN(CC2CC2)CC1 ZINC000052372397 169261067 /nfs/dbraw/zinc/26/10/67/169261067.db2.gz BFTHFCMINSEGAK-CYBMUJFWSA-N 1 3 239.407 1.402 10 0 BDAEHO CCC[C@@H](CN[C@@H]1CCC[NH2+]CC1)OC ZINC000356317494 169385462 /nfs/dbraw/zinc/38/54/62/169385462.db2.gz DXENGOWTEQOAIK-NEPJUHHUSA-N 1 3 214.353 1.533 10 0 BDAEHO C[C@@H](NC1CCC([NH3+])CC1)c1cnccn1 ZINC000070025754 384073758 /nfs/dbraw/zinc/07/37/58/384073758.db2.gz MMEXWKAMBZHGLP-KPPDAEKUSA-N 1 3 220.320 1.397 10 0 BDAEHO CC(C)(CCCO)C[NH2+][C@H]1CCCNCC1 ZINC000227914311 134399514 /nfs/dbraw/zinc/39/95/14/134399514.db2.gz KRZYGTOZESMYBV-LBPRGKRZSA-N 1 3 228.380 1.517 10 0 BDAEHO C[C@H](NC[C@@H]1Cc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400419765 384262418 /nfs/dbraw/zinc/26/24/18/384262418.db2.gz WOOKRZCMNBKLTJ-YUTCNCBUSA-N 1 3 230.355 1.914 10 0 BDAEHO c1ccc2c(c1)CN([C@@H]1CCC[NH2+]C1)C=N2 ZINC000095082676 384357556 /nfs/dbraw/zinc/35/75/56/384357556.db2.gz HMIMBFCKNCOGTD-GFCCVEGCSA-N 1 3 215.300 1.914 10 0 BDAEHO [NH3+]C[C@]1(N2CCCC2)CCCSC1 ZINC000061589829 384519384 /nfs/dbraw/zinc/51/93/84/384519384.db2.gz ZQECYILXRYFKCO-SNVBAGLBSA-N 1 3 200.351 1.307 10 0 BDAEHO CCOc1ccc(CNCC[C@H](C)[NH3+])cc1 ZINC000258648389 384934623 /nfs/dbraw/zinc/93/46/23/384934623.db2.gz AJXVZJVQDJXSOZ-NSHDSACASA-N 1 3 222.332 1.912 10 0 BDAEHO C[C@H]1C[C@]2(CCN1C)[NH2+]C(C)(C)CS2 ZINC000156990722 385479605 /nfs/dbraw/zinc/47/96/05/385479605.db2.gz MVMGRQSXKKYAPO-GXSJLCMTSA-N 1 3 214.378 1.912 10 0 BDAEHO C[C@@H]1CNCC[N@@H+]([C@H]2CCSC2)C1 ZINC000258093477 385537697 /nfs/dbraw/zinc/53/76/97/385537697.db2.gz KJGDTWZLCFUXGF-ZJUUUORDSA-N 1 3 200.351 1.033 10 0 BDAEHO C[C@@H]1CNCC[N@H+]([C@H]2CCSC2)C1 ZINC000258093477 385537701 /nfs/dbraw/zinc/53/77/01/385537701.db2.gz KJGDTWZLCFUXGF-ZJUUUORDSA-N 1 3 200.351 1.033 10 0 BDAEHO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCN)C12CCC2 ZINC000336734014 385652513 /nfs/dbraw/zinc/65/25/13/385652513.db2.gz GZPVGQBXZSLYTQ-OUAUKWLOSA-N 1 3 212.337 1.128 10 0 BDAEHO CO[C@@H]1[C@H](C)[C@H](NCCC[NH3+])C12CCC2 ZINC000336734014 385652519 /nfs/dbraw/zinc/65/25/19/385652519.db2.gz GZPVGQBXZSLYTQ-OUAUKWLOSA-N 1 3 212.337 1.128 10 0 BDAEHO C[C@H]([NH3+])c1ccc(CN2CCN(C)CC2)cc1 ZINC000058019918 385653748 /nfs/dbraw/zinc/65/37/48/385653748.db2.gz KHZKQZBHJZWHPJ-LBPRGKRZSA-N 1 3 233.359 1.454 10 0 BDAEHO [NH3+][C@@H]1CC[C@@H]2CN(C[C@@H]3CCCCO3)C[C@@H]12 ZINC000309405459 386007490 /nfs/dbraw/zinc/00/74/90/386007490.db2.gz VWBOUHQPOBLXMQ-YVECIDJPSA-N 1 3 224.348 1.225 10 0 BDAEHO C[C@H]1COC[C@H](C)N1CCCC1CC[NH2+]CC1 ZINC000647886637 386299328 /nfs/dbraw/zinc/29/93/28/386299328.db2.gz DMHIIUHMMRLCOF-STQMWFEESA-N 1 3 240.391 1.875 10 0 BDAEHO N[C@@H](CCC[NH3+])c1cc(F)c(F)cc1F ZINC000575438508 387131203 /nfs/dbraw/zinc/13/12/03/387131203.db2.gz JYKGBMVZKYKXKG-JTQLQIEISA-N 1 3 218.222 1.843 10 0 BDAEHO N[C@@H](CCC[NH3+])c1c(F)cc(F)cc1F ZINC000575440164 387127936 /nfs/dbraw/zinc/12/79/36/387127936.db2.gz LVLMWSKVXBOLQN-VIFPVBQESA-N 1 3 218.222 1.843 10 0 BDAEHO N[C@@H](CCC[NH3+])c1cccc2c1OCCO2 ZINC000575438381 387128760 /nfs/dbraw/zinc/12/87/60/387128760.db2.gz JSEVSRYWLYPVJG-JTQLQIEISA-N 1 3 222.288 1.197 10 0 BDAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CCSC2)CCN1 ZINC000575513198 387384325 /nfs/dbraw/zinc/38/43/25/387384325.db2.gz BNEMMMBJEIODLS-BBBLOLIVSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@@H]1C[C@H](N[C@H]2CCSC2)CC[NH2+]1 ZINC000575513198 387384329 /nfs/dbraw/zinc/38/43/29/387384329.db2.gz BNEMMMBJEIODLS-BBBLOLIVSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@H]1CC[C@@H](NC2CC([NH3+])C2)CS1 ZINC000575535231 387574877 /nfs/dbraw/zinc/57/48/77/387574877.db2.gz RUKYQHDISYENCR-QGVKSAJWSA-N 1 3 200.351 1.350 10 0 BDAEHO C[C@H]1CC[C@@H]([NH2+]C2CC(N)C2)CS1 ZINC000575535231 387574882 /nfs/dbraw/zinc/57/48/82/387574882.db2.gz RUKYQHDISYENCR-QGVKSAJWSA-N 1 3 200.351 1.350 10 0 BDAEHO CS[C@H]1CC[C@@H]1N1CCC([NH3+])CC1 ZINC000575567211 387736011 /nfs/dbraw/zinc/73/60/11/387736011.db2.gz YRYHOBLVIAWDAM-UWVGGRQHSA-N 1 3 200.351 1.304 10 0 BDAEHO CCC(CC)[C@H](O)CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400509567 387986238 /nfs/dbraw/zinc/98/62/38/387986238.db2.gz FEDFAYALLYYSIK-KGYLQXTDSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@H](N[C@@H](CO)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400324013 388115925 /nfs/dbraw/zinc/11/59/25/388115925.db2.gz BYSYJVHZTCDUGD-DRZSPHRISA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](Cc1cccc(Cl)c1)NCC[NH3+] ZINC000261528455 135153560 /nfs/dbraw/zinc/15/35/60/135153560.db2.gz LVCYRABJXINZRV-SECBINFHSA-N 1 3 212.724 1.819 10 0 BDAEHO NC1CC([NH2+][C@H]2CCCSCC2)C1 ZINC000575519089 388355803 /nfs/dbraw/zinc/35/58/03/388355803.db2.gz ZVBSIZKSABESJT-KYHHOPLUSA-N 1 3 200.351 1.351 10 0 BDAEHO [NH3+]C1CC(N[C@H]2CCCSCC2)C1 ZINC000575519089 388355804 /nfs/dbraw/zinc/35/58/04/388355804.db2.gz ZVBSIZKSABESJT-KYHHOPLUSA-N 1 3 200.351 1.351 10 0 BDAEHO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000393835777 388444024 /nfs/dbraw/zinc/44/40/24/388444024.db2.gz ODTQRYQRTOAUTJ-MXWKQRLJSA-N 1 3 228.405 1.988 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000393835777 388444026 /nfs/dbraw/zinc/44/40/26/388444026.db2.gz ODTQRYQRTOAUTJ-MXWKQRLJSA-N 1 3 228.405 1.988 10 0 BDAEHO CC[C@H]([NH2+]CCOCCN(C)C)[C@H]1CC1(C)C ZINC000397637302 388485764 /nfs/dbraw/zinc/48/57/64/388485764.db2.gz XKRKLGFLFMQMLR-OLZOCXBDSA-N 1 3 242.407 1.979 10 0 BDAEHO CO[C@H](CN[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000362976664 388562710 /nfs/dbraw/zinc/56/27/10/388562710.db2.gz LERHOPVIAWVKNY-VXGBXAGGSA-N 1 3 214.353 1.389 10 0 BDAEHO CC[C@@H](C)[C@@H](CNC1CC[NH2+]CC1)OC ZINC000362977659 388563311 /nfs/dbraw/zinc/56/33/11/388563311.db2.gz SPSPJJPENRXGLV-ZYHUDNBSSA-N 1 3 214.353 1.389 10 0 BDAEHO CC[C@@H](C)[C@@H](C[NH2+]C1CCNCC1)OC ZINC000362977659 388563314 /nfs/dbraw/zinc/56/33/14/388563314.db2.gz SPSPJJPENRXGLV-ZYHUDNBSSA-N 1 3 214.353 1.389 10 0 BDAEHO CCC[C@H](O)CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566089198 388986702 /nfs/dbraw/zinc/98/67/02/388986702.db2.gz FGDIYWIMBITZSS-SRVKXCTJSA-N 1 3 214.353 1.125 10 0 BDAEHO CCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000566089198 388986703 /nfs/dbraw/zinc/98/67/03/388986703.db2.gz FGDIYWIMBITZSS-SRVKXCTJSA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)C[C@H](CO)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000566090798 388987449 /nfs/dbraw/zinc/98/74/49/388987449.db2.gz OWDXABWRDAZORL-RWMBFGLXSA-N 1 3 228.380 1.371 10 0 BDAEHO CC(C)C[C@H](CO)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566090798 388987451 /nfs/dbraw/zinc/98/74/51/388987451.db2.gz OWDXABWRDAZORL-RWMBFGLXSA-N 1 3 228.380 1.371 10 0 BDAEHO C[NH2+]C[C@H]1CCCCN1c1ccncc1 ZINC000053706628 132363327 /nfs/dbraw/zinc/36/33/27/132363327.db2.gz GXBYRNWRWRDUSX-GFCCVEGCSA-N 1 3 205.305 1.660 10 0 BDAEHO C[C@@H](CC[NH3+])CN1CCN(c2ccccc2)CC1 ZINC000049835979 132358478 /nfs/dbraw/zinc/35/84/78/132358478.db2.gz YLKQBALSQMJNCM-AWEZNQCLSA-N 1 3 247.386 1.794 10 0 BDAEHO C[NH2+]CCC1CCN(c2ccncc2)CC1 ZINC000069730688 132391212 /nfs/dbraw/zinc/39/12/12/132391212.db2.gz ILTZZZSSHMENHM-UHFFFAOYSA-N 1 3 219.332 1.908 10 0 BDAEHO C([C@H]1CCN(C2CCC2)C1)[NH+]1CCCC1 ZINC000179578586 134322214 /nfs/dbraw/zinc/32/22/14/134322214.db2.gz XPWSGPHKAOJJQX-GFCCVEGCSA-N 1 3 208.349 1.957 10 0 BDAEHO C([C@H]1CC[N@@H+](C2CCC2)C1)N1CCCC1 ZINC000179578586 134322215 /nfs/dbraw/zinc/32/22/15/134322215.db2.gz XPWSGPHKAOJJQX-GFCCVEGCSA-N 1 3 208.349 1.957 10 0 BDAEHO C([C@H]1CC[N@H+](C2CCC2)C1)N1CCCC1 ZINC000179578586 134322216 /nfs/dbraw/zinc/32/22/16/134322216.db2.gz XPWSGPHKAOJJQX-GFCCVEGCSA-N 1 3 208.349 1.957 10 0 BDAEHO C[C@H](O)CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000251254696 135067375 /nfs/dbraw/zinc/06/73/75/135067375.db2.gz VAPPPIZMCHURJU-XDQVBPFNSA-N 1 3 240.391 1.658 10 0 BDAEHO CC1(C)CN(C[C@H]2CCSC2)CC[C@H]1[NH3+] ZINC000261538296 135175241 /nfs/dbraw/zinc/17/52/41/135175241.db2.gz XRDOEZCHKGSVNU-GHMZBOCLSA-N 1 3 228.405 1.799 10 0 BDAEHO CC1(C)CN(C[C@@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000261581408 135222460 /nfs/dbraw/zinc/22/24/60/135222460.db2.gz NOKDPXUKKHIHEZ-RYUDHWBXSA-N 1 3 226.364 1.472 10 0 BDAEHO CC1(C)CN(C[C@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000261581409 135222927 /nfs/dbraw/zinc/22/29/27/135222927.db2.gz NOKDPXUKKHIHEZ-VXGBXAGGSA-N 1 3 226.364 1.472 10 0 BDAEHO O[C@@H]1CNC[C@H]1C[NH2+]C1CCCCCCC1 ZINC000263174550 135337191 /nfs/dbraw/zinc/33/71/91/135337191.db2.gz GCNPCOBREUASSK-WCQYABFASA-N 1 3 226.364 1.269 10 0 BDAEHO O[C@@H]1C[NH2+]C[C@H]1CNC1CCCCCCC1 ZINC000263174550 135337192 /nfs/dbraw/zinc/33/71/92/135337192.db2.gz GCNPCOBREUASSK-WCQYABFASA-N 1 3 226.364 1.269 10 0 BDAEHO C[C@H](CC1CCCC1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000263251014 135342920 /nfs/dbraw/zinc/34/29/20/135342920.db2.gz PXMLRUYCYAEAMG-KGYLQXTDSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](CC1CCCC1)[NH2+]C[C@@H]1CNC[C@H]1O ZINC000263251014 135342922 /nfs/dbraw/zinc/34/29/22/135342922.db2.gz PXMLRUYCYAEAMG-KGYLQXTDSA-N 1 3 226.364 1.125 10 0 BDAEHO CCSCCC[NH2+]C1CCNCC1 ZINC000300903686 397783344 /nfs/dbraw/zinc/78/33/44/397783344.db2.gz JEYVKIURXJFEFT-UHFFFAOYSA-N 1 3 202.367 1.471 10 0 BDAEHO CCSCCCNC1CC[NH2+]CC1 ZINC000300903686 397783349 /nfs/dbraw/zinc/78/33/49/397783349.db2.gz JEYVKIURXJFEFT-UHFFFAOYSA-N 1 3 202.367 1.471 10 0 BDAEHO CC1(C[N@@H+]2CCCSCC2)CNC1 ZINC000306917728 397951220 /nfs/dbraw/zinc/95/12/20/397951220.db2.gz YFNUZMRFACESFN-UHFFFAOYSA-N 1 3 200.351 1.035 10 0 BDAEHO CC1(C[N@H+]2CCCSCC2)CNC1 ZINC000306917728 397951224 /nfs/dbraw/zinc/95/12/24/397951224.db2.gz YFNUZMRFACESFN-UHFFFAOYSA-N 1 3 200.351 1.035 10 0 BDAEHO C[C@H]([NH2+]CC1(CO)CCCC1)[C@@H]1CCCNC1 ZINC000564826527 398045797 /nfs/dbraw/zinc/04/57/97/398045797.db2.gz RVFPVBRUODNSJV-QWHCGFSZSA-N 1 3 240.391 1.517 10 0 BDAEHO C[C@H](NCC1(CO)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000564826527 398045801 /nfs/dbraw/zinc/04/58/01/398045801.db2.gz RVFPVBRUODNSJV-QWHCGFSZSA-N 1 3 240.391 1.517 10 0 BDAEHO CC(C)C[NH2+]CCN1CCN(CC(C)C)CC1 ZINC000055075816 167005460 /nfs/dbraw/zinc/00/54/60/167005460.db2.gz CFCABWGXQLMNCX-UHFFFAOYSA-N 1 3 241.423 1.506 10 0 BDAEHO CC(C)C[NH2+]Cc1cnc(CCN(C)C)s1 ZINC000082418197 167010785 /nfs/dbraw/zinc/01/07/85/167010785.db2.gz BAHPHGSEITXLDU-UHFFFAOYSA-N 1 3 241.404 1.993 10 0 BDAEHO CC(C)[NH2+]CCN1CCN(CC2CC2)CC1 ZINC000042317825 167105115 /nfs/dbraw/zinc/10/51/15/167105115.db2.gz UJBFGKBEZMUHFA-UHFFFAOYSA-N 1 3 225.380 1.012 10 0 BDAEHO CC(C)[NH2+]CCN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000127729080 167106540 /nfs/dbraw/zinc/10/65/40/167106540.db2.gz YXBQBUFCQYTAGQ-TXEJJXNPSA-N 1 3 213.369 1.009 10 0 BDAEHO CC(C)[NH2+]C[C@H]1CCN(CC[C@@H]2CCCO2)C1 ZINC000053033577 167114938 /nfs/dbraw/zinc/11/49/38/167114938.db2.gz GFTUSEUPQNTIJT-KGLIPLIRSA-N 1 3 240.391 1.875 10 0 BDAEHO CC1CCC(CN2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000313391759 168152828 /nfs/dbraw/zinc/15/28/28/168152828.db2.gz VJTBMKDKROGKSH-RUXDESIVSA-N 1 3 240.391 1.862 10 0 BDAEHO CCN1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000336906989 170022262 /nfs/dbraw/zinc/02/22/62/170022262.db2.gz YKYGDMAGLMJXMK-IHRRRGAJSA-N 1 3 237.391 1.297 10 0 BDAEHO CCN1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000336906989 170022263 /nfs/dbraw/zinc/02/22/63/170022263.db2.gz YKYGDMAGLMJXMK-IHRRRGAJSA-N 1 3 237.391 1.297 10 0 BDAEHO CC[NH2+]CC1(CN2CC[C@H](O)C2)CCCCC1 ZINC000061711757 170110970 /nfs/dbraw/zinc/11/09/70/170110970.db2.gz YOWZVNFSJQQVIW-ZDUSSCGKSA-N 1 3 240.391 1.613 10 0 BDAEHO CC[NH2+][C@@H](C)CN1CCN(CC)[C@H](C)C1 ZINC000082477900 170139326 /nfs/dbraw/zinc/13/93/26/170139326.db2.gz AXPHKWIYYRJFMB-NWDGAFQWSA-N 1 3 213.369 1.010 10 0 BDAEHO CC[NH2+][C@@H](C)[C@H]1CCCN([C@@H]2CCC[C@@H]2O)C1 ZINC000104420287 170140661 /nfs/dbraw/zinc/14/06/61/170140661.db2.gz UMVHJIDKZMECFY-FQUUOJAGSA-N 1 3 240.391 1.610 10 0 BDAEHO CC[NH2+][C@@H]1CCN([C@@H]2CCCN(C)C2)[C@H](C)C1 ZINC000049713223 170153075 /nfs/dbraw/zinc/15/30/75/170153075.db2.gz VGKKSFWLPZSHAR-MGPQQGTHSA-N 1 3 239.407 1.543 10 0 BDAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([N@H+](CCO)C2CC2)C1 ZINC000042478781 171040814 /nfs/dbraw/zinc/04/08/14/171040814.db2.gz UIMYNXJQLSBDAO-MBNYWOFBSA-N 1 3 240.391 1.597 10 0 BDAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([N@@H+](CCO)C2CC2)C1 ZINC000042478781 171040816 /nfs/dbraw/zinc/04/08/16/171040816.db2.gz UIMYNXJQLSBDAO-MBNYWOFBSA-N 1 3 240.391 1.597 10 0 BDAEHO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](N(CCO)C2CC2)C1 ZINC000042478781 171040817 /nfs/dbraw/zinc/04/08/17/171040817.db2.gz UIMYNXJQLSBDAO-MBNYWOFBSA-N 1 3 240.391 1.597 10 0 BDAEHO CC[C@@]1(CNC[C@@H]2CCCCO2)CCC[NH2+]C1 ZINC000062862858 171211734 /nfs/dbraw/zinc/21/17/34/171211734.db2.gz ZVKYJBKXUHPWJS-UONOGXRCSA-N 1 3 240.391 1.925 10 0 BDAEHO CC[C@@]1(C[NH2+]C[C@@H]2CCCCO2)CCCNC1 ZINC000062862858 171211736 /nfs/dbraw/zinc/21/17/36/171211736.db2.gz ZVKYJBKXUHPWJS-UONOGXRCSA-N 1 3 240.391 1.925 10 0 BDAEHO CC[C@H](C)N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000055066981 171319131 /nfs/dbraw/zinc/31/91/31/171319131.db2.gz RSCXTZHOOIVXKU-KBPBESRZSA-N 1 3 239.407 1.402 10 0 BDAEHO CC[C@H](C)[NH2+]CCN1CCN(CC(C)C)CC1 ZINC000055076113 171340354 /nfs/dbraw/zinc/34/03/54/171340354.db2.gz NDJYJMUTNYHSLC-AWEZNQCLSA-N 1 3 241.423 1.648 10 0 BDAEHO CC[C@H](C)[C@H](CNC1CC[NH2+]CC1)OC ZINC000362977657 171392640 /nfs/dbraw/zinc/39/26/40/171392640.db2.gz SPSPJJPENRXGLV-JQWIXIFHSA-N 1 3 214.353 1.389 10 0 BDAEHO CC[C@H](C)[C@H](C[NH2+]C1CCNCC1)OC ZINC000362977657 171392641 /nfs/dbraw/zinc/39/26/41/171392641.db2.gz SPSPJJPENRXGLV-JQWIXIFHSA-N 1 3 214.353 1.389 10 0 BDAEHO CC[C@H]([NH2+]C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000662493898 412193659 /nfs/dbraw/zinc/19/36/59/412193659.db2.gz SXFUDOYHYHOIQB-RYUDHWBXSA-N 1 3 243.395 1.077 10 0 BDAEHO C[C@H](NCCC(C)(C)F)[C@H]1CC[NH2+]C1 ZINC000665261643 412204205 /nfs/dbraw/zinc/20/42/05/412204205.db2.gz IQLJVCJRLGYJAF-UWVGGRQHSA-N 1 3 202.317 1.712 10 0 BDAEHO C[C@H](NC[C@H]1CCC[C@@H](C)O1)[C@H]1CC[NH2+]C1 ZINC000665265365 412208817 /nfs/dbraw/zinc/20/88/17/412208817.db2.gz WGMNKMFAZXKHIY-MROQNXINSA-N 1 3 226.364 1.532 10 0 BDAEHO C[C@H]([NH2+][C@@H](CO)C1CCC1)[C@H]1CCCNC1 ZINC000665235063 412165456 /nfs/dbraw/zinc/16/54/56/412165456.db2.gz PBHHURWQFPDROB-DRZSPHRISA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](N[C@@H](CO)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000665235063 412165460 /nfs/dbraw/zinc/16/54/60/412165460.db2.gz PBHHURWQFPDROB-DRZSPHRISA-N 1 3 226.364 1.125 10 0 BDAEHO CN(C)CCN(CCC(N)=[NH2+])c1ccccc1 ZINC000019480317 172455187 /nfs/dbraw/zinc/45/51/87/172455187.db2.gz SDAOGLZSXMDCQV-UHFFFAOYSA-N 1 3 234.347 1.381 10 0 BDAEHO CN(C)C[C@@H](C[NH3+])Cc1ccc(N(C)C)cc1 ZINC000011736662 172481891 /nfs/dbraw/zinc/48/18/91/172481891.db2.gz MQMFODWXCSDOGO-CYBMUJFWSA-N 1 3 235.375 1.432 10 0 BDAEHO CN(c1ccc(CC[NH3+])cc1)C1CCN(C)CC1 ZINC000104256150 172988202 /nfs/dbraw/zinc/98/82/02/172988202.db2.gz FDQMIHPGXCWBHI-UHFFFAOYSA-N 1 3 247.386 1.718 10 0 BDAEHO CN1CCCC[C@H]1CNc1cc[nH+]cc1N ZINC000044563552 173009879 /nfs/dbraw/zinc/00/98/79/173009879.db2.gz CSQHWYGDTNEFGX-JTQLQIEISA-N 1 3 220.320 1.560 10 0 BDAEHO CN1CCC[C@H](CNC2=[NH+]CCS2)C1 ZINC000044538298 173041972 /nfs/dbraw/zinc/04/19/72/173041972.db2.gz RGFFDXHXNCVYLR-SECBINFHSA-N 1 3 213.350 1.021 10 0 BDAEHO CN1CCN([C@@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000037157157 173093457 /nfs/dbraw/zinc/09/34/57/173093457.db2.gz STUWIXWQZVSGGK-QWHCGFSZSA-N 1 3 225.380 1.141 10 0 BDAEHO C[N@@H+]1CC[C@@H](CNC2=NC(C)(C)CS2)C1 ZINC000037485231 173114250 /nfs/dbraw/zinc/11/42/50/173114250.db2.gz DFOUJHIPOSSOSD-VIFPVBQESA-N 1 3 227.377 1.409 10 0 BDAEHO C[N@H+]1CC[C@@H](CNC2=NC(C)(C)CS2)C1 ZINC000037485231 173114253 /nfs/dbraw/zinc/11/42/53/173114253.db2.gz DFOUJHIPOSSOSD-VIFPVBQESA-N 1 3 227.377 1.409 10 0 BDAEHO CNC[C@@]1(C[N@@H+]2CCCC[C@H]2C)CCCOC1 ZINC000104319882 173373231 /nfs/dbraw/zinc/37/32/31/173373231.db2.gz GNMNXHKOVMPVEI-ZIAGYGMSSA-N 1 3 240.391 1.877 10 0 BDAEHO CNC[C@@]1(C[N@H+]2CCCC[C@H]2C)CCCOC1 ZINC000104319882 173373232 /nfs/dbraw/zinc/37/32/32/173373232.db2.gz GNMNXHKOVMPVEI-ZIAGYGMSSA-N 1 3 240.391 1.877 10 0 BDAEHO C[NH2+]C[C@@]1(CN2CCCC[C@H]2C)CCCOC1 ZINC000104319882 173373233 /nfs/dbraw/zinc/37/32/33/173373233.db2.gz GNMNXHKOVMPVEI-ZIAGYGMSSA-N 1 3 240.391 1.877 10 0 BDAEHO CNC[C@@]1(C[N@@H+]2CCCC[C@H]2C)CCOC1 ZINC000051208964 173373659 /nfs/dbraw/zinc/37/36/59/173373659.db2.gz LSXUNTDTXZYXOC-CHWSQXEVSA-N 1 3 226.364 1.487 10 0 BDAEHO CNC[C@@]1(C[N@H+]2CCCC[C@H]2C)CCOC1 ZINC000051208964 173373661 /nfs/dbraw/zinc/37/36/61/173373661.db2.gz LSXUNTDTXZYXOC-CHWSQXEVSA-N 1 3 226.364 1.487 10 0 BDAEHO C[NH2+]C[C@@]1(CN2CCCC[C@H]2C)CCOC1 ZINC000051208964 173373662 /nfs/dbraw/zinc/37/36/62/173373662.db2.gz LSXUNTDTXZYXOC-CHWSQXEVSA-N 1 3 226.364 1.487 10 0 BDAEHO CNCc1ccoc1C[N@@H+]1CC[C@H](C)C1 ZINC000052484369 173391440 /nfs/dbraw/zinc/39/14/40/173391440.db2.gz AUHVWIIGXFIZIF-JTQLQIEISA-N 1 3 208.305 1.841 10 0 BDAEHO CNCc1ccoc1C[N@H+]1CC[C@H](C)C1 ZINC000052484369 173391441 /nfs/dbraw/zinc/39/14/41/173391441.db2.gz AUHVWIIGXFIZIF-JTQLQIEISA-N 1 3 208.305 1.841 10 0 BDAEHO COC1CCN(Cc2cc(C[NH3+])c(C)o2)CC1 ZINC000052455235 174027576 /nfs/dbraw/zinc/02/75/76/174027576.db2.gz SYZHNPRPAXWGSV-UHFFFAOYSA-N 1 3 238.331 1.658 10 0 BDAEHO COCCCN(CCOC)[C@](C)(C[NH3+])C1CC1 ZINC000042420773 174226397 /nfs/dbraw/zinc/22/63/97/174226397.db2.gz NNBXBBZQANTEDI-CYBMUJFWSA-N 1 3 244.379 1.099 10 0 BDAEHO COCC[N@H+](C)CC[C@@H](N)c1ccccc1C ZINC000054022123 174278753 /nfs/dbraw/zinc/27/87/53/174278753.db2.gz KABOXLPHQZWXJK-CQSZACIVSA-N 1 3 236.359 1.963 10 0 BDAEHO COCC[N@@H+](C)CC[C@@H](N)c1ccccc1C ZINC000054022123 174278755 /nfs/dbraw/zinc/27/87/55/174278755.db2.gz KABOXLPHQZWXJK-CQSZACIVSA-N 1 3 236.359 1.963 10 0 BDAEHO COc1ccc(C[NH3+])c(OCCN(C)C)c1 ZINC000011887350 175097070 /nfs/dbraw/zinc/09/70/70/175097070.db2.gz SANXUDJICNXKAN-UHFFFAOYSA-N 1 3 224.304 1.094 10 0 BDAEHO COc1ccc(CN)c(OCC[NH+](C)C)c1 ZINC000011887350 175097071 /nfs/dbraw/zinc/09/70/71/175097071.db2.gz SANXUDJICNXKAN-UHFFFAOYSA-N 1 3 224.304 1.094 10 0 BDAEHO COc1ccc(C[C@H](C[NH3+])CN(C)C)cc1 ZINC000011799979 175117306 /nfs/dbraw/zinc/11/73/06/175117306.db2.gz JYBUIXJNQZBAKO-GFCCVEGCSA-N 1 3 222.332 1.374 10 0 BDAEHO CSC1(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000564823510 322931447 /nfs/dbraw/zinc/93/14/47/322931447.db2.gz ABXQVZZDHRJJRT-WDEREUQCSA-N 1 3 228.405 1.860 10 0 BDAEHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H](O)[C@H]1[NH3+] ZINC000245204376 176175195 /nfs/dbraw/zinc/17/51/95/176175195.db2.gz AKYCYJKHFYEHSO-BNOWGMLFSA-N 1 3 234.343 1.217 10 0 BDAEHO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H](O)[C@H]1N ZINC000245204376 176175196 /nfs/dbraw/zinc/17/51/96/176175196.db2.gz AKYCYJKHFYEHSO-BNOWGMLFSA-N 1 3 234.343 1.217 10 0 BDAEHO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H](O)[C@H]1N ZINC000245204376 176175197 /nfs/dbraw/zinc/17/51/97/176175197.db2.gz AKYCYJKHFYEHSO-BNOWGMLFSA-N 1 3 234.343 1.217 10 0 BDAEHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(C)C1 ZINC000037646710 176280582 /nfs/dbraw/zinc/28/05/82/176280582.db2.gz GHVQRJOPFQJKEL-YIYPIFLZSA-N 1 3 239.407 1.256 10 0 BDAEHO C[C@@H]1CNC[C@@H](C)C[NH+](C2CCOCC2)C1 ZINC000049666387 176328617 /nfs/dbraw/zinc/32/86/17/176328617.db2.gz ZWNYYZRTWATFJM-VXGBXAGGSA-N 1 3 226.364 1.343 10 0 BDAEHO C[C@H](CC[NH3+])N1CCN(C(C)(C)C)CC1 ZINC000042461352 176627235 /nfs/dbraw/zinc/62/72/35/176627235.db2.gz BNVHSYWFANGMIJ-LLVKDONJSA-N 1 3 213.369 1.140 10 0 BDAEHO C[C@H](c1ccc(O)cc1)N1CC[C@H](C[NH3+])C1 ZINC000050245052 177035352 /nfs/dbraw/zinc/03/53/52/177035352.db2.gz ANCIEBNZRCQAFJ-GHMZBOCLSA-N 1 3 220.316 1.734 10 0 BDAEHO C[C@H]1CC[NH+](C2CCOCC2)CC[C@H](C)N1 ZINC000049666375 177156631 /nfs/dbraw/zinc/15/66/31/177156631.db2.gz GQHUQVKWVHBFQZ-RYUDHWBXSA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@H]1CCN([C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000044390373 177170378 /nfs/dbraw/zinc/17/03/78/177170378.db2.gz KDNDZFXVDWMCML-QWHCGFSZSA-N 1 3 225.380 1.155 10 0 BDAEHO C[C@H]1CN(CCCCC[NH3+])C[C@H](C)O1 ZINC000049580595 177247639 /nfs/dbraw/zinc/24/76/39/177247639.db2.gz CVTPSRHBNUNVFZ-QWRGUYRKSA-N 1 3 200.326 1.225 10 0 BDAEHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000038006213 177333750 /nfs/dbraw/zinc/33/37/50/177333750.db2.gz GHCXEMQIRXBZSB-JFGNBEQYSA-N 1 3 222.336 1.228 10 0 BDAEHO C[C@@H](NCCOCC1CC1)[C@@H]1CC[NH2+]C1 ZINC000400334029 226341195 /nfs/dbraw/zinc/34/11/95/226341195.db2.gz CRFZARZAPOJJMJ-ZYHUDNBSSA-N 1 3 212.337 1.001 10 0 BDAEHO COCC1(CN[C@H](C)[C@@H]2CC[NH2+]C2)CCC1 ZINC000400377296 226341931 /nfs/dbraw/zinc/34/19/31/226341931.db2.gz JBJDSSUPCDIZJQ-VXGBXAGGSA-N 1 3 226.364 1.391 10 0 BDAEHO CC[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)OC ZINC000566004104 325982569 /nfs/dbraw/zinc/98/25/69/325982569.db2.gz QZZYNZAZLONXKP-GRYCIOLGSA-N 1 3 214.353 1.389 10 0 BDAEHO CC(C)[C@H](CO)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000567639901 326236674 /nfs/dbraw/zinc/23/66/74/326236674.db2.gz CVVCWVIMIKXAHU-AVGNSLFASA-N 1 3 228.380 1.229 10 0 BDAEHO C[C@@H]([NH2+]CCC1(O)CCC1)[C@H]1CCCNC1 ZINC000567639297 326236913 /nfs/dbraw/zinc/23/69/13/326236913.db2.gz FIFJFHRFDORPAK-NEPJUHHUSA-N 1 3 226.364 1.269 10 0 BDAEHO C[C@@H](NCCC1(O)CCC1)[C@H]1CCC[NH2+]C1 ZINC000567639297 326236915 /nfs/dbraw/zinc/23/69/15/326236915.db2.gz FIFJFHRFDORPAK-NEPJUHHUSA-N 1 3 226.364 1.269 10 0 BDAEHO Cc1cccc(CCN[C@H](C)[C@@H]2CC[NH2+]C2)n1 ZINC000415108322 488083864 /nfs/dbraw/zinc/08/38/64/488083864.db2.gz PWQZQVGFHDRREY-CHWSQXEVSA-N 1 3 233.359 1.520 10 0 BDAEHO CN(C)C1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000310537518 488099819 /nfs/dbraw/zinc/09/98/19/488099819.db2.gz RQZRZHNJUTUTCX-TZMCWYRMSA-N 1 3 240.391 1.564 10 0 BDAEHO CC(C)[C@H](C)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000390221766 488141829 /nfs/dbraw/zinc/14/18/29/488141829.db2.gz ZHDAYYKRSUGSBT-QWHCGFSZSA-N 1 3 225.380 1.010 10 0 BDAEHO C[C@H]1CC[C@]2(CCCN2CCN(C)C)C[NH2+]1 ZINC000757127991 582503154 /nfs/dbraw/zinc/50/31/54/582503154.db2.gz IMWLYRMQYQRHDL-QWHCGFSZSA-N 1 3 225.380 1.155 10 0 BDAEHO C1CC[C@@H]2COC3(CCNCC3)[NH2+][C@@H]2C1 ZINC000757138668 582518313 /nfs/dbraw/zinc/51/83/13/582518313.db2.gz CYVQUGFXWWUVOL-GHMZBOCLSA-N 1 3 210.321 1.245 10 0 BDAEHO CC[C@@H]1CC[NH2+]C2(CCN(CC)CC2)O1 ZINC000757139814 582520549 /nfs/dbraw/zinc/52/05/49/582520549.db2.gz HYGDHEZTFAAXQL-LLVKDONJSA-N 1 3 212.337 1.587 10 0 BDAEHO C[C@H](NCC1(O)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400575624 533835483 /nfs/dbraw/zinc/83/54/83/533835483.db2.gz OUOBHBPGVQBXOK-RYUDHWBXSA-N 1 3 226.364 1.269 10 0 BDAEHO C[C@H](NCCOc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400736788 533862258 /nfs/dbraw/zinc/86/22/58/533862258.db2.gz KCQIJEWOSPBMOP-STQMWFEESA-N 1 3 234.343 1.653 10 0 BDAEHO C[C@H](NCC[C@@H]1CCCCO1)[C@@H]1CC[NH2+]C1 ZINC000400569846 533865005 /nfs/dbraw/zinc/86/50/05/533865005.db2.gz NJXUVEUAZMVXFS-XQQFMLRXSA-N 1 3 226.364 1.533 10 0 BDAEHO CCOC[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400732497 528994236 /nfs/dbraw/zinc/99/42/36/528994236.db2.gz QYNFDZUMEHJDPP-AVGNSLFASA-N 1 3 228.380 1.635 10 0 BDAEHO CC[C@]1(C)CCOC2(CCN(C)CC2)[NH2+]1 ZINC000757142537 582523098 /nfs/dbraw/zinc/52/30/98/582523098.db2.gz DCVZMMCAXBJQOQ-LLVKDONJSA-N 1 3 212.337 1.587 10 0 BDAEHO COC1(C[N@@H+]2CC[C@@H]2CN)CCCCC1 ZINC000757143699 582524029 /nfs/dbraw/zinc/52/40/29/582524029.db2.gz HMXQPKOHSJUPNM-LLVKDONJSA-N 1 3 212.337 1.369 10 0 BDAEHO COC1(C[N@H+]2CC[C@@H]2CN)CCCCC1 ZINC000757143699 582524030 /nfs/dbraw/zinc/52/40/30/582524030.db2.gz HMXQPKOHSJUPNM-LLVKDONJSA-N 1 3 212.337 1.369 10 0 BDAEHO C[C@H]1CCC[C@]2(C1)[NH2+]CCC1(CNC1)O2 ZINC000757145808 582528376 /nfs/dbraw/zinc/52/83/76/582528376.db2.gz ITJSANHGQJKLOV-JQWIXIFHSA-N 1 3 210.321 1.245 10 0 BDAEHO CCN1CCC2(CC1)[NH2+]C[C@H](C(C)C)CO2 ZINC000757153898 582538458 /nfs/dbraw/zinc/53/84/58/582538458.db2.gz YJLVFEZJEGASQA-LBPRGKRZSA-N 1 3 226.364 1.690 10 0 BDAEHO COCC[C@@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC000757133731 586427016 /nfs/dbraw/zinc/42/70/16/586427016.db2.gz UBXGLMPGVVJKSP-OLZOCXBDSA-N 1 3 226.364 1.629 10 0 BDAEHO COCC[C@@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC000757133731 586427017 /nfs/dbraw/zinc/42/70/17/586427017.db2.gz UBXGLMPGVVJKSP-OLZOCXBDSA-N 1 3 226.364 1.629 10 0 BDAEHO C[C@@H]1C[C@@H](N)C[NH2+][C@H]1c1cccc(N)c1 ZINC000757208645 586437849 /nfs/dbraw/zinc/43/78/49/586437849.db2.gz AKIQZIONGWSEJP-GGZOMVNGSA-N 1 3 205.305 1.267 10 0 BDAEHO COC(=O)[C@@H]1CCN[C@@H](c2ccc(C[NH3+])cc2)C1 ZINC000757210817 586439137 /nfs/dbraw/zinc/43/91/37/586439137.db2.gz HKAJSVRONFAZJX-CHWSQXEVSA-N 1 3 248.326 1.359 10 0 BDAEHO Nc1cccc([C@@H]2CC[C@H](C[NH3+])CN2)c1 ZINC000757215252 586440539 /nfs/dbraw/zinc/44/05/39/586440539.db2.gz MUJPBQXVAGDQEM-SKDRFNHKSA-N 1 3 205.305 1.268 10 0 BDAEHO CC(C)(C)n1cc([C@H]2CNC[C@@H](C[NH3+])C2)cn1 ZINC000757237943 586443905 /nfs/dbraw/zinc/44/39/05/586443905.db2.gz QXFNNWFWUKRONR-GHMZBOCLSA-N 1 3 236.363 1.290 10 0 BDAEHO CC(C)(C)n1cc([C@H]2C[NH2+]C[C@@H](CN)C2)cn1 ZINC000757237943 586443906 /nfs/dbraw/zinc/44/39/06/586443906.db2.gz QXFNNWFWUKRONR-GHMZBOCLSA-N 1 3 236.363 1.290 10 0 BDAEHO C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@@H](c2cccc(N)c2)N1 ZINC000757210060 643369913 /nfs/dbraw/zinc/36/99/13/643369913.db2.gz DTMPPWAYWWQFMY-GZZJDILISA-N 1 3 233.359 1.903 10 0 BDAEHO N[C@H]1CCCCC[N@H+](C[C@H]2CCCO2)C1 ZINC000708996336 712205183 /nfs/dbraw/zinc/20/51/83/712205183.db2.gz QLNNWDZLLODWRH-NWDGAFQWSA-N 1 3 212.337 1.369 10 0 BDAEHO N[C@H]1CCCCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000708996336 712205186 /nfs/dbraw/zinc/20/51/86/712205186.db2.gz QLNNWDZLLODWRH-NWDGAFQWSA-N 1 3 212.337 1.369 10 0 BDAEHO CCC[C@@H](N)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712674404 712440594 /nfs/dbraw/zinc/44/05/94/712440594.db2.gz RXLUJUQGNTUXEV-LLVKDONJSA-N 1 3 241.379 1.057 10 0 BDAEHO CCC[C@@H](N)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712674404 712440595 /nfs/dbraw/zinc/44/05/95/712440595.db2.gz RXLUJUQGNTUXEV-LLVKDONJSA-N 1 3 241.379 1.057 10 0 BDAEHO CCC[C@@H]([NH3+])C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712674404 712440596 /nfs/dbraw/zinc/44/05/96/712440596.db2.gz RXLUJUQGNTUXEV-LLVKDONJSA-N 1 3 241.379 1.057 10 0 BDAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CSC1(C)C)[NH2+]2 ZINC000709344536 712220211 /nfs/dbraw/zinc/22/02/11/712220211.db2.gz JSQDOAPTQVFSOY-IYKVGLELSA-N 1 3 240.416 1.999 10 0 BDAEHO CC1(C)CC[C@H](CNC2CC[NH2+]CC2)OC1 ZINC000711386469 712296650 /nfs/dbraw/zinc/29/66/50/712296650.db2.gz UAGCVVBNGQLZCA-GFCCVEGCSA-N 1 3 226.364 1.533 10 0 BDAEHO CC1(C)CC[C@H](C[NH2+]C2CCNCC2)OC1 ZINC000711386469 712296651 /nfs/dbraw/zinc/29/66/51/712296651.db2.gz UAGCVVBNGQLZCA-GFCCVEGCSA-N 1 3 226.364 1.533 10 0 BDAEHO CCC[N@H+](C[C@@H]1CCCO1)C1CCNCC1 ZINC000037469622 712642813 /nfs/dbraw/zinc/64/28/13/712642813.db2.gz KDPQPLCFQOMGRH-ZDUSSCGKSA-N 1 3 226.364 1.629 10 0 BDAEHO CCC[N@@H+](C[C@@H]1CCCO1)C1CCNCC1 ZINC000037469622 712642814 /nfs/dbraw/zinc/64/28/14/712642814.db2.gz KDPQPLCFQOMGRH-ZDUSSCGKSA-N 1 3 226.364 1.629 10 0 BDAEHO CCCN(C[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000037469622 712642815 /nfs/dbraw/zinc/64/28/15/712642815.db2.gz KDPQPLCFQOMGRH-ZDUSSCGKSA-N 1 3 226.364 1.629 10 0 BDAEHO C(COCC1CCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000313282162 398184799 /nfs/dbraw/zinc/18/47/99/398184799.db2.gz MPXLVNGHCALOPB-CQSZACIVSA-N 1 3 240.391 1.925 10 0 BDAEHO C[C@@](N)(C[NH3+])CCOCc1ccccc1 ZINC000143964124 342691241 /nfs/dbraw/zinc/69/12/41/342691241.db2.gz VFAPWFGSMRBOKK-LBPRGKRZSA-N 1 3 208.305 1.269 10 0 BDAEHO N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000212726915 539027767 /nfs/dbraw/zinc/02/77/67/539027767.db2.gz DVYMZSUMQKZFGP-JQWIXIFHSA-N 1 3 204.273 1.201 10 0 BDAEHO C[C@@H](NCCc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000580312133 346893176 /nfs/dbraw/zinc/89/31/76/346893176.db2.gz PAOIPFJALVXHIZ-OCCSQVGLSA-N 1 3 233.359 1.602 10 0 BDAEHO C[C@@H]([NH2+]CCc1ccncc1)[C@H]1CCCNC1 ZINC000580312133 346893177 /nfs/dbraw/zinc/89/31/77/346893177.db2.gz PAOIPFJALVXHIZ-OCCSQVGLSA-N 1 3 233.359 1.602 10 0 BDAEHO Cc1cnn(CCN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000235953549 343067428 /nfs/dbraw/zinc/06/74/28/343067428.db2.gz KKMGCJJUNXJYNX-VXGBXAGGSA-N 1 3 222.336 1.051 10 0 BDAEHO CO[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000562956986 323035117 /nfs/dbraw/zinc/03/51/17/323035117.db2.gz DQTPEZOMEBKYMZ-KGYLQXTDSA-N 1 3 226.364 1.389 10 0 BDAEHO CO[C@H](C[NH2+][C@H](C)[C@H]1CCCNC1)C1CC1 ZINC000562956986 323035118 /nfs/dbraw/zinc/03/51/18/323035118.db2.gz DQTPEZOMEBKYMZ-KGYLQXTDSA-N 1 3 226.364 1.389 10 0 BDAEHO CC(C)C[C@H](CO)N[C@@H]1CCC[NH2+]CC1 ZINC000168734908 136269872 /nfs/dbraw/zinc/26/98/72/136269872.db2.gz BLOOEDQOQZDKLB-VXGBXAGGSA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)C[C@H](CO)[NH2+][C@@H]1CCCNCC1 ZINC000168734908 136269873 /nfs/dbraw/zinc/26/98/73/136269873.db2.gz BLOOEDQOQZDKLB-VXGBXAGGSA-N 1 3 214.353 1.125 10 0 BDAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C[Si](C)(C)C ZINC000401837786 343733956 /nfs/dbraw/zinc/73/39/56/343733956.db2.gz FSRRWKNZONWOPL-ZJUUUORDSA-N 1 3 200.402 1.675 10 0 BDAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C[Si](C)(C)C ZINC000401837786 343733957 /nfs/dbraw/zinc/73/39/57/343733957.db2.gz FSRRWKNZONWOPL-ZJUUUORDSA-N 1 3 200.402 1.675 10 0 BDAEHO CC1(C)COC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000313015177 343732617 /nfs/dbraw/zinc/73/26/17/343732617.db2.gz FHUXZWYBJABPIE-MNOVXSKESA-N 1 3 212.337 1.143 10 0 BDAEHO COCC1(C)CC[NH+](C2CCNCC2)CC1 ZINC000409426297 343821842 /nfs/dbraw/zinc/82/18/42/343821842.db2.gz BXSBFBKAXRAFBA-UHFFFAOYSA-N 1 3 226.364 1.487 10 0 BDAEHO COCC1(C)CCN(C2CC[NH2+]CC2)CC1 ZINC000409426297 343821844 /nfs/dbraw/zinc/82/18/44/343821844.db2.gz BXSBFBKAXRAFBA-UHFFFAOYSA-N 1 3 226.364 1.487 10 0 BDAEHO COC[C@H]1C[N@H+](CCCN)CC12CCCC2 ZINC000409435482 343833788 /nfs/dbraw/zinc/83/37/88/343833788.db2.gz UYQYWTBUZIWROV-GFCCVEGCSA-N 1 3 226.364 1.474 10 0 BDAEHO COC[C@H]1C[N@@H+](CCCN)CC12CCCC2 ZINC000409435482 343833790 /nfs/dbraw/zinc/83/37/90/343833790.db2.gz UYQYWTBUZIWROV-GFCCVEGCSA-N 1 3 226.364 1.474 10 0 BDAEHO CCOC[C@H]1C[N@@H+](C2CCNCC2)C[C@@H]1C ZINC000409435584 343834435 /nfs/dbraw/zinc/83/44/35/343834435.db2.gz VLVWIBMQTBAGLV-NWDGAFQWSA-N 1 3 226.364 1.343 10 0 BDAEHO CCOC[C@H]1C[N@H+](C2CCNCC2)C[C@@H]1C ZINC000409435584 343834437 /nfs/dbraw/zinc/83/44/37/343834437.db2.gz VLVWIBMQTBAGLV-NWDGAFQWSA-N 1 3 226.364 1.343 10 0 BDAEHO COC[C@@]12C[N@H+](CCCN)C[C@@H]1CCCC2 ZINC000409435568 343834492 /nfs/dbraw/zinc/83/44/92/343834492.db2.gz VLJFTZXUAKUAJC-QWHCGFSZSA-N 1 3 226.364 1.474 10 0 BDAEHO COC[C@@]12C[N@@H+](CCCN)C[C@@H]1CCCC2 ZINC000409435568 343834493 /nfs/dbraw/zinc/83/44/93/343834493.db2.gz VLJFTZXUAKUAJC-QWHCGFSZSA-N 1 3 226.364 1.474 10 0 BDAEHO CCOC[C@@H]1C[N@H+](CCCN)CC1(C)C ZINC000409436364 343838614 /nfs/dbraw/zinc/83/86/14/343838614.db2.gz ZNCOCINHBPCPRU-NSHDSACASA-N 1 3 214.353 1.330 10 0 BDAEHO CCOC[C@@H]1C[N@@H+](CCCN)CC1(C)C ZINC000409436364 343838615 /nfs/dbraw/zinc/83/86/15/343838615.db2.gz ZNCOCINHBPCPRU-NSHDSACASA-N 1 3 214.353 1.330 10 0 BDAEHO CCOC[C@@H]1CN(CCC[NH3+])CC1(C)C ZINC000409436364 343838617 /nfs/dbraw/zinc/83/86/17/343838617.db2.gz ZNCOCINHBPCPRU-NSHDSACASA-N 1 3 214.353 1.330 10 0 BDAEHO C[C@H]1C[C@@H](NC2=[NH+]CCS2)CCN1C ZINC000158710990 344730587 /nfs/dbraw/zinc/73/05/87/344730587.db2.gz LMCODEDACMHMAB-IUCAKERBSA-N 1 3 213.350 1.162 10 0 BDAEHO CCC[C@H](CCO)[NH2+][C@@H]1CCCNCC1 ZINC000635003030 345205484 /nfs/dbraw/zinc/20/54/84/345205484.db2.gz FBDFBXGNLQJUTD-VXGBXAGGSA-N 1 3 214.353 1.269 10 0 BDAEHO CCSCC[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000601327653 347214161 /nfs/dbraw/zinc/21/41/61/347214161.db2.gz YEDCWDNMBRIGAL-ZJUUUORDSA-N 1 3 202.367 1.266 10 0 BDAEHO CCSCC[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000601327653 347214162 /nfs/dbraw/zinc/21/41/62/347214162.db2.gz YEDCWDNMBRIGAL-ZJUUUORDSA-N 1 3 202.367 1.266 10 0 BDAEHO CCSCCN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601327653 347214164 /nfs/dbraw/zinc/21/41/64/347214164.db2.gz YEDCWDNMBRIGAL-ZJUUUORDSA-N 1 3 202.367 1.266 10 0 BDAEHO CN(C[C@H]1CCCCO1)[C@H]1CCC[NH2+]CC1 ZINC000250428993 362803879 /nfs/dbraw/zinc/80/38/79/362803879.db2.gz QRZPYRYCLKTNFE-QWHCGFSZSA-N 1 3 226.364 1.629 10 0 BDAEHO Cc1cccc([C@H](C[NH3+])N(C)CCN(C)C)c1C ZINC000104199393 179198258 /nfs/dbraw/zinc/19/82/58/179198258.db2.gz YDMMELKECITKRD-HNNXBMFYSA-N 1 3 249.402 1.797 10 0 BDAEHO C[NH2+]C[C@@H]1CCN([C@H]2CCSC2)C1 ZINC000250770546 362819635 /nfs/dbraw/zinc/81/96/35/362819635.db2.gz UTNWOJGRNGUCHA-UWVGGRQHSA-N 1 3 200.351 1.033 10 0 BDAEHO [NH3+][C@@H]1CNCC[C@H]1c1ccc2c(c1)CCN2 ZINC000669381418 537994723 /nfs/dbraw/zinc/99/47/23/537994723.db2.gz JEVUKQHMHZRDPJ-NWDGAFQWSA-N 1 3 217.316 1.059 10 0 BDAEHO O[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250672086 538023884 /nfs/dbraw/zinc/02/38/84/538023884.db2.gz VEOJNDLOADDGJY-RFQIPJPRSA-N 1 3 238.375 1.506 10 0 BDAEHO O[C@@H]1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250672086 538023893 /nfs/dbraw/zinc/02/38/93/538023893.db2.gz VEOJNDLOADDGJY-RFQIPJPRSA-N 1 3 238.375 1.506 10 0 BDAEHO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000250672086 538023898 /nfs/dbraw/zinc/02/38/98/538023898.db2.gz VEOJNDLOADDGJY-RFQIPJPRSA-N 1 3 238.375 1.506 10 0 BDAEHO c1ccc2c(c1)C[C@@H]2CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000250843194 538027687 /nfs/dbraw/zinc/02/76/87/538027687.db2.gz GUXLWIUWISZRMI-RDBSUJKOSA-N 1 3 228.339 1.478 10 0 BDAEHO Cc1nccc(CNC2CCC([NH3+])CC2)n1 ZINC000054790915 180187750 /nfs/dbraw/zinc/18/77/50/180187750.db2.gz GFDIMLOEABZSHM-UHFFFAOYSA-N 1 3 220.320 1.145 10 0 BDAEHO Cc1nccn1CC[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000049330234 180260910 /nfs/dbraw/zinc/26/09/10/180260910.db2.gz CAZZULDTTGQSOB-ZDUSSCGKSA-N 1 3 248.374 1.265 10 0 BDAEHO NCCC[N@@H+]1CCOC[C@H]2CCCC[C@H]21 ZINC000409427745 350476474 /nfs/dbraw/zinc/47/64/74/350476474.db2.gz FHHZJQYYWHYNNN-VXGBXAGGSA-N 1 3 212.337 1.226 10 0 BDAEHO NCCC[N@H+]1CCOC[C@H]2CCCC[C@H]21 ZINC000409427745 350476477 /nfs/dbraw/zinc/47/64/77/350476477.db2.gz FHHZJQYYWHYNNN-VXGBXAGGSA-N 1 3 212.337 1.226 10 0 BDAEHO [NH3+]CCCN1CCOC[C@H]2CCCC[C@H]21 ZINC000409427745 350476479 /nfs/dbraw/zinc/47/64/79/350476479.db2.gz FHHZJQYYWHYNNN-VXGBXAGGSA-N 1 3 212.337 1.226 10 0 BDAEHO CCN1CCC[C@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088018 490668504 /nfs/dbraw/zinc/66/85/04/490668504.db2.gz YNYPXYRILCKKHW-NSHDSACASA-N 1 3 241.379 1.104 10 0 BDAEHO C[C@H]1C[C@@H](N(C)C2CC([NH3+])C2)CS1 ZINC000306853344 351177204 /nfs/dbraw/zinc/17/72/04/351177204.db2.gz SYVQMYCJBYLBMU-AUXWQGHOSA-N 1 3 200.351 1.302 10 0 BDAEHO CN(Cc1ccccc1)[C@@H]1CC[C@]([NH3+])(CO)C1 ZINC000307159222 351509513 /nfs/dbraw/zinc/50/95/13/351509513.db2.gz UEIFDFMSGWKHLX-ZIAGYGMSSA-N 1 3 234.343 1.361 10 0 BDAEHO C[C@@H]([NH3+])[C@@H](C)NCCCNC(=O)OC(C)(C)C ZINC000307251549 351772413 /nfs/dbraw/zinc/77/24/13/351772413.db2.gz OFOKDSHRSIWMJV-NXEZZACHSA-N 1 3 245.367 1.227 10 0 BDAEHO CC[NH2+][C@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000638071004 351943880 /nfs/dbraw/zinc/94/38/80/351943880.db2.gz DBWUHZDXXVOUDE-VXGBXAGGSA-N 1 3 243.395 1.077 10 0 BDAEHO N[C@H]1CCC[N@H+](C[C@@H]2CCCSC2)C1 ZINC000307703572 353046651 /nfs/dbraw/zinc/04/66/51/353046651.db2.gz VTVFSKMXNOBQQC-QWRGUYRKSA-N 1 3 214.378 1.553 10 0 BDAEHO N[C@H]1CCC[N@@H+](C[C@@H]2CCCSC2)C1 ZINC000307703572 353046654 /nfs/dbraw/zinc/04/66/54/353046654.db2.gz VTVFSKMXNOBQQC-QWRGUYRKSA-N 1 3 214.378 1.553 10 0 BDAEHO NCc1ccccc1OCC[NH+]1CCCC1 ZINC000011799237 188105352 /nfs/dbraw/zinc/10/53/52/188105352.db2.gz DUAFJHZFJQKIBB-UHFFFAOYSA-N 1 3 220.316 1.620 10 0 BDAEHO NCc1ccccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000022215898 188109383 /nfs/dbraw/zinc/10/93/83/188109383.db2.gz FACNLHQCGKYOBB-OAHLLOKOSA-N 1 3 248.370 1.882 10 0 BDAEHO NCc1ccccc1C[N@H+]1CCCC[C@@H]1CCO ZINC000022215898 188109385 /nfs/dbraw/zinc/10/93/85/188109385.db2.gz FACNLHQCGKYOBB-OAHLLOKOSA-N 1 3 248.370 1.882 10 0 BDAEHO CC(C)N1CCN(C2(C[NH3+])CCCC2)CC1 ZINC000036170661 188112188 /nfs/dbraw/zinc/11/21/88/188112188.db2.gz GQZWUTMEQLBZBI-UHFFFAOYSA-N 1 3 225.380 1.284 10 0 BDAEHO Cc1n[nH]cc1C[NH2+][C@@H](C)[C@H]1CCCN(C)C1 ZINC000038011321 188115670 /nfs/dbraw/zinc/11/56/70/188115670.db2.gz TWXZDQSJPPEGFW-JQWIXIFHSA-N 1 3 236.363 1.538 10 0 BDAEHO C[C@H](CCCO)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000582175386 355578004 /nfs/dbraw/zinc/57/80/04/355578004.db2.gz CURQQHGGNRPGRM-AGIUHOORSA-N 1 3 228.380 1.373 10 0 BDAEHO C[C@@H]([NH2+]CC1(C)CCOCC1)[C@@H]1CCCNC1 ZINC000582235689 356652294 /nfs/dbraw/zinc/65/22/94/356652294.db2.gz UZQZRQNLAIRHQQ-CHWSQXEVSA-N 1 3 240.391 1.781 10 0 BDAEHO CC1(CC2=C[C@H]([NH3+])CNC2)CCOCC1 ZINC000675078451 538516544 /nfs/dbraw/zinc/51/65/44/538516544.db2.gz PUFHUBWDOKIDGI-NSHDSACASA-N 1 3 210.321 1.050 10 0 BDAEHO CC(C)N(C)[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080491 538519675 /nfs/dbraw/zinc/51/96/75/538519675.db2.gz RVBNTZBVYFGHSR-GHMZBOCLSA-N 1 3 212.337 1.223 10 0 BDAEHO [NH3+][C@H]1C[C@@H](N2CCCCC2)C12CCOCC2 ZINC000685949315 538892541 /nfs/dbraw/zinc/89/25/41/538892541.db2.gz PBYBISMCTJFCAD-NWDGAFQWSA-N 1 3 224.348 1.369 10 0 BDAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@@H+]1CCC[C@H](C)C1 ZINC000685950937 538894361 /nfs/dbraw/zinc/89/43/61/538894361.db2.gz IPOPEUXOCIBEIZ-WUHRBBMRSA-N 1 3 210.365 1.962 10 0 BDAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@H+]1CCC[C@H](C)C1 ZINC000685950937 538894363 /nfs/dbraw/zinc/89/43/63/538894363.db2.gz IPOPEUXOCIBEIZ-WUHRBBMRSA-N 1 3 210.365 1.962 10 0 BDAEHO C[C@H]1CNC[C@H](C)C1[N@@H+]1CCCO[C@H](C)C1 ZINC000685951793 538894979 /nfs/dbraw/zinc/89/49/79/538894979.db2.gz YPAMEBWHTJDONY-SDDRHHMPSA-N 1 3 226.364 1.341 10 0 BDAEHO C[C@H]1CNC[C@H](C)C1[N@H+]1CCCO[C@H](C)C1 ZINC000685951793 538894980 /nfs/dbraw/zinc/89/49/80/538894980.db2.gz YPAMEBWHTJDONY-SDDRHHMPSA-N 1 3 226.364 1.341 10 0 BDAEHO C[C@H]1C[NH2+]C[C@H](C)C1N1CCCO[C@H](C)C1 ZINC000685951793 538894984 /nfs/dbraw/zinc/89/49/84/538894984.db2.gz YPAMEBWHTJDONY-SDDRHHMPSA-N 1 3 226.364 1.341 10 0 BDAEHO CCOC[C@H](N[C@H]1CCC[NH2+]CC1)C(C)C ZINC000233792494 357749456 /nfs/dbraw/zinc/74/94/56/357749456.db2.gz GPJWIWIEMHKMDJ-STQMWFEESA-N 1 3 228.380 1.779 10 0 BDAEHO CCOC[C@H]([NH2+][C@H]1CCCNCC1)C(C)C ZINC000233792494 357749459 /nfs/dbraw/zinc/74/94/59/357749459.db2.gz GPJWIWIEMHKMDJ-STQMWFEESA-N 1 3 228.380 1.779 10 0 BDAEHO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCNC1 ZINC000584768892 358170903 /nfs/dbraw/zinc/17/09/03/358170903.db2.gz JQBZQGYSUPMWBA-XHJNMGKDSA-N 1 3 240.391 1.920 10 0 BDAEHO CC[N@@H+]1CC[C@](CN)(c2ccccc2)C1 ZINC000584634016 358317653 /nfs/dbraw/zinc/31/76/53/358317653.db2.gz YEDZOISMUGLCHF-CYBMUJFWSA-N 1 3 204.317 1.609 10 0 BDAEHO CC[N@H+]1CC[C@](CN)(c2ccccc2)C1 ZINC000584634016 358317657 /nfs/dbraw/zinc/31/76/57/358317657.db2.gz YEDZOISMUGLCHF-CYBMUJFWSA-N 1 3 204.317 1.609 10 0 BDAEHO CCN1CC[C@](C[NH3+])(c2ccccc2)C1 ZINC000584634016 358317660 /nfs/dbraw/zinc/31/76/60/358317660.db2.gz YEDZOISMUGLCHF-CYBMUJFWSA-N 1 3 204.317 1.609 10 0 BDAEHO CCCN1CC[C@H](C[NH2+]CC(C)(C)O)C1 ZINC000578316276 366500261 /nfs/dbraw/zinc/50/02/61/366500261.db2.gz UYBGBUFJYHHTGK-LLVKDONJSA-N 1 3 214.353 1.079 10 0 BDAEHO CCC[N@@H+]1CC[C@H](CNCC(C)(C)O)C1 ZINC000578316276 366500263 /nfs/dbraw/zinc/50/02/63/366500263.db2.gz UYBGBUFJYHHTGK-LLVKDONJSA-N 1 3 214.353 1.079 10 0 BDAEHO CCC[N@H+]1CC[C@H](CNCC(C)(C)O)C1 ZINC000578316276 366500265 /nfs/dbraw/zinc/50/02/65/366500265.db2.gz UYBGBUFJYHHTGK-LLVKDONJSA-N 1 3 214.353 1.079 10 0 BDAEHO C[C@H]1CNCC[C@H]1[NH2+]C1CCSCC1 ZINC000306213134 359306404 /nfs/dbraw/zinc/30/64/04/359306404.db2.gz WVOUINUJHBDIDN-GXSJLCMTSA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@@H]1CSC[C@H]1N1CCC[C@H]1C[NH3+] ZINC000306257674 359472667 /nfs/dbraw/zinc/47/26/67/359472667.db2.gz QNAHTWXQHBWLFW-KXUCPTDWSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@H]1SCC[C@@H]1[NH2+]C1CCNCC1 ZINC000306489450 360179031 /nfs/dbraw/zinc/17/90/31/360179031.db2.gz LMJANJNMQRYJTC-SCZZXKLOSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@H]1SCC[C@@H]1NC1CC[NH2+]CC1 ZINC000306489450 360179034 /nfs/dbraw/zinc/17/90/34/360179034.db2.gz LMJANJNMQRYJTC-SCZZXKLOSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[C@@H](N)C1 ZINC000306496148 360223407 /nfs/dbraw/zinc/22/34/07/360223407.db2.gz XDNVKGCJSCKKQQ-JLIMGVALSA-N 1 3 200.351 1.350 10 0 BDAEHO C[C@@H]1SCC[C@@H]1N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000306496148 360223411 /nfs/dbraw/zinc/22/34/11/360223411.db2.gz XDNVKGCJSCKKQQ-JLIMGVALSA-N 1 3 200.351 1.350 10 0 BDAEHO C[C@@H]1CSCC[N@@H+]1C1CCNCC1 ZINC000069761006 360409149 /nfs/dbraw/zinc/40/91/49/360409149.db2.gz CGQSFQFNFIRIGT-SECBINFHSA-N 1 3 200.351 1.176 10 0 BDAEHO C[C@@H]1CSCC[N@H+]1C1CCNCC1 ZINC000069761006 360409154 /nfs/dbraw/zinc/40/91/54/360409154.db2.gz CGQSFQFNFIRIGT-SECBINFHSA-N 1 3 200.351 1.176 10 0 BDAEHO C[C@@H]([C@@H]1CC[NH2+]C1)N1CCSC[C@H]1C ZINC000306577056 360465060 /nfs/dbraw/zinc/46/50/60/360465060.db2.gz KYWWXDRXWAVKOQ-OUAUKWLOSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000306611961 360852514 /nfs/dbraw/zinc/85/25/14/360852514.db2.gz HNBAKRAUBSVJDN-GARJFASQSA-N 1 3 214.378 1.612 10 0 BDAEHO C[C@@H]1SCC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000306611961 360852518 /nfs/dbraw/zinc/85/25/18/360852518.db2.gz HNBAKRAUBSVJDN-GARJFASQSA-N 1 3 214.378 1.612 10 0 BDAEHO [NH3+]C1(CO)C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000096895827 181332814 /nfs/dbraw/zinc/33/28/14/181332814.db2.gz RCTIFQNFVBPDRS-YIONKMFJSA-N 1 3 246.354 1.503 10 0 BDAEHO NC1(CO)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000096895827 181332815 /nfs/dbraw/zinc/33/28/15/181332815.db2.gz RCTIFQNFVBPDRS-YIONKMFJSA-N 1 3 246.354 1.503 10 0 BDAEHO NC1(CO)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000096895827 181332816 /nfs/dbraw/zinc/33/28/16/181332816.db2.gz RCTIFQNFVBPDRS-YIONKMFJSA-N 1 3 246.354 1.503 10 0 BDAEHO C1CC1[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]CC2)CO1 ZINC000629547810 361431571 /nfs/dbraw/zinc/43/15/71/361431571.db2.gz LUVDVKVEZLYUOD-UPJWGTAASA-N 1 3 224.348 1.286 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@@H]1CCCC12CC2 ZINC000629554955 361436531 /nfs/dbraw/zinc/43/65/31/361436531.db2.gz OZWAQHOONQJZNT-NSHDSACASA-N 1 3 208.349 1.908 10 0 BDAEHO [NH3+]C1CCN([C@@H]2CCCSC2)CC1 ZINC000061590654 181345296 /nfs/dbraw/zinc/34/52/96/181345296.db2.gz XVKPKNHQOIHTNJ-SNVBAGLBSA-N 1 3 200.351 1.305 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)[C@@H]1CCCNC1 ZINC000573555636 364857711 /nfs/dbraw/zinc/85/77/11/364857711.db2.gz LVXLQCIBXUDVPO-IGQOVBAYSA-N 1 3 240.391 1.515 10 0 BDAEHO C[C@@H]([NH3+])CCNC(=O)c1ccc(CN(C)C)cc1 ZINC000573486359 364844433 /nfs/dbraw/zinc/84/44/33/364844433.db2.gz RGPKJXWQGIPJMI-LLVKDONJSA-N 1 3 249.358 1.215 10 0 BDAEHO NCCC[N@H+](CCC(N)=O)C1CCCCCC1 ZINC000036925694 181380005 /nfs/dbraw/zinc/38/00/05/181380005.db2.gz SFGHNEQHUNXQCU-UHFFFAOYSA-N 1 3 241.379 1.235 10 0 BDAEHO NCCC[N@@H+](CCC(N)=O)C1CCCCCC1 ZINC000036925694 181380006 /nfs/dbraw/zinc/38/00/06/181380006.db2.gz SFGHNEQHUNXQCU-UHFFFAOYSA-N 1 3 241.379 1.235 10 0 BDAEHO [NH3+]CCN1CCN(CCCc2ccccc2)CC1 ZINC000019365788 181391959 /nfs/dbraw/zinc/39/19/59/181391959.db2.gz VUFGQYMLRSZNSV-UHFFFAOYSA-N 1 3 247.386 1.196 10 0 BDAEHO CCC(CC)[C@H](O)CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000575850754 365382506 /nfs/dbraw/zinc/38/25/06/365382506.db2.gz XCXIWOOOAAINNI-MRVWCRGKSA-N 1 3 242.407 1.761 10 0 BDAEHO CCC(CC)[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000575850754 365382509 /nfs/dbraw/zinc/38/25/09/365382509.db2.gz XCXIWOOOAAINNI-MRVWCRGKSA-N 1 3 242.407 1.761 10 0 BDAEHO CC(C)COCCN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838667 369120249 /nfs/dbraw/zinc/12/02/49/369120249.db2.gz SMWIZYVRIVSOGD-RYUDHWBXSA-N 1 3 214.353 1.186 10 0 BDAEHO CN([C@H]1CCSC1)[C@@H]1CCC[NH2+]CC1 ZINC000225276218 369567194 /nfs/dbraw/zinc/56/71/94/369567194.db2.gz JMICNBQGJDJURM-MNOVXSKESA-N 1 3 214.378 1.566 10 0 BDAEHO C[N@H+]([C@H]1CCSC1)[C@@H]1CCCNCC1 ZINC000225276218 369567199 /nfs/dbraw/zinc/56/71/99/369567199.db2.gz JMICNBQGJDJURM-MNOVXSKESA-N 1 3 214.378 1.566 10 0 BDAEHO C[N@@H+]([C@H]1CCSC1)[C@@H]1CCCNCC1 ZINC000225276218 369567203 /nfs/dbraw/zinc/56/72/03/369567203.db2.gz JMICNBQGJDJURM-MNOVXSKESA-N 1 3 214.378 1.566 10 0 BDAEHO [NH3+][C@@H]1CCCC[C@H]1CN1CCSCC1 ZINC000060743754 181574329 /nfs/dbraw/zinc/57/43/29/181574329.db2.gz XAWAUWTUQHTTTN-WDEREUQCSA-N 1 3 214.378 1.553 10 0 BDAEHO C[C@H](CN1CCS[C@@H](C)[C@H]1C)C(N)=[NH2+] ZINC000132440109 371822767 /nfs/dbraw/zinc/82/27/67/371822767.db2.gz VKMLZBJAIIZLSM-HLTSFMKQSA-N 1 3 215.366 1.384 10 0 BDAEHO C([NH2+][C@H]1CCCNCC1)[C@@H]1CCSC1 ZINC000228555310 372046900 /nfs/dbraw/zinc/04/69/00/372046900.db2.gz WXOCJGMGMVHACD-QWRGUYRKSA-N 1 3 214.378 1.471 10 0 BDAEHO C[C@H](CN1CCSC[C@@H]1C)[C@H](C)[NH3+] ZINC000228600394 372054935 /nfs/dbraw/zinc/05/49/35/372054935.db2.gz MCGVFZNMQLJIIE-UTLUCORTSA-N 1 3 202.367 1.407 10 0 BDAEHO C[C@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1CN ZINC000631836601 372625702 /nfs/dbraw/zinc/62/57/02/372625702.db2.gz CJXHFGCPMNXMFA-JQWIXIFHSA-N 1 3 210.365 1.949 10 0 BDAEHO C[C@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1CN ZINC000631836601 372625705 /nfs/dbraw/zinc/62/57/05/372625705.db2.gz CJXHFGCPMNXMFA-JQWIXIFHSA-N 1 3 210.365 1.949 10 0 BDAEHO C[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1CN ZINC000631837790 372630250 /nfs/dbraw/zinc/63/02/50/372630250.db2.gz WYEZSTRLFDTPHY-MXWKQRLJSA-N 1 3 232.318 1.948 10 0 BDAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1CN ZINC000631837790 372630252 /nfs/dbraw/zinc/63/02/52/372630252.db2.gz WYEZSTRLFDTPHY-MXWKQRLJSA-N 1 3 232.318 1.948 10 0 BDAEHO CC[NH2+][C@@H](C)CN1CCN(C2CCCC2)CC1 ZINC000052061291 170138758 /nfs/dbraw/zinc/13/87/58/170138758.db2.gz GUTYVVFRSMFXIU-ZDUSSCGKSA-N 1 3 239.407 1.545 10 0 BDAEHO CCCN1CCN(C2(C[NH3+])CCCC2)CC1 ZINC000019487402 169202516 /nfs/dbraw/zinc/20/25/16/169202516.db2.gz MSDLBCVQJJGTKF-UHFFFAOYSA-N 1 3 225.380 1.286 10 0 BDAEHO CCCN1CCN([C@@H](C[NH3+])C(CC)CC)CC1 ZINC000022215889 169202523 /nfs/dbraw/zinc/20/25/23/169202523.db2.gz VDSTXAVUTBLDSA-AWEZNQCLSA-N 1 3 241.423 1.778 10 0 BDAEHO CCCN1CCN(C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070578418 169203080 /nfs/dbraw/zinc/20/30/80/169203080.db2.gz TZVUIZKMZRKXEH-KGLIPLIRSA-N 1 3 239.407 1.532 10 0 BDAEHO CCC[NH2+][C@@H]1CCCC[C@@H]1CN1CC[C@H](O)C1 ZINC000061712018 169282442 /nfs/dbraw/zinc/28/24/42/169282442.db2.gz ULFOZFICCKPZIP-HZSPNIEDSA-N 1 3 240.391 1.611 10 0 BDAEHO CCC[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000037267470 169292111 /nfs/dbraw/zinc/29/21/11/169292111.db2.gz PIBACXHJKNZUQJ-LBPRGKRZSA-N 1 3 225.380 1.155 10 0 BDAEHO CCC[C@@H](CNC1CC[NH2+]CC1)OC ZINC000356324122 169384437 /nfs/dbraw/zinc/38/44/37/169384437.db2.gz SMKNKMSOJNOWOK-NSHDSACASA-N 1 3 200.326 1.143 10 0 BDAEHO CCC[C@@H](C[NH2+]C1CCNCC1)OC ZINC000356324122 169384439 /nfs/dbraw/zinc/38/44/39/169384439.db2.gz SMKNKMSOJNOWOK-NSHDSACASA-N 1 3 200.326 1.143 10 0 BDAEHO C[C@@H]([NH2+]CC1(O)CCCCC1)[C@H]1CCCNC1 ZINC000572593271 384175895 /nfs/dbraw/zinc/17/58/95/384175895.db2.gz ANJMYUYUYFRWCP-OLZOCXBDSA-N 1 3 240.391 1.659 10 0 BDAEHO C[C@@H](NCC1(O)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000572593271 384175901 /nfs/dbraw/zinc/17/59/01/384175901.db2.gz ANJMYUYUYFRWCP-OLZOCXBDSA-N 1 3 240.391 1.659 10 0 BDAEHO Clc1nccnc1CNCC1CC[NH2+]CC1 ZINC000095070377 384337373 /nfs/dbraw/zinc/33/73/73/384337373.db2.gz QQDHRSVADDRTMU-UHFFFAOYSA-N 1 3 240.738 1.219 10 0 BDAEHO C[NH+](C)C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC000095074242 384350620 /nfs/dbraw/zinc/35/06/20/384350620.db2.gz OHDTZRJUOWDDLP-GJZGRUSLSA-N 1 3 248.370 1.431 10 0 BDAEHO [NH3+][C@H]1CC[C@H](NCC(=O)c2ccc[nH]2)CC1 ZINC000100267947 384628954 /nfs/dbraw/zinc/62/89/54/384628954.db2.gz HRKRHXHZODRKNS-AOOOYVTPSA-N 1 3 221.304 1.057 10 0 BDAEHO C[C@@H](NCCOC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000564824700 384682851 /nfs/dbraw/zinc/68/28/51/384682851.db2.gz PUGUPOBOHVZACN-OLZOCXBDSA-N 1 3 240.391 1.923 10 0 BDAEHO C[C@@H]([NH2+]CCOC1CCCC1)[C@H]1CCCNC1 ZINC000564824700 384682854 /nfs/dbraw/zinc/68/28/54/384682854.db2.gz PUGUPOBOHVZACN-OLZOCXBDSA-N 1 3 240.391 1.923 10 0 BDAEHO [NH3+]C[C@@H]1CCCN([C@@H]2CCSC2)C1 ZINC000044527811 385308865 /nfs/dbraw/zinc/30/88/65/385308865.db2.gz PAIBBRIUDWCNKT-VHSXEESVSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@@H]1CCC[N@@H+]([C@@H]2CCSC2)C1 ZINC000044527811 385308870 /nfs/dbraw/zinc/30/88/70/385308870.db2.gz PAIBBRIUDWCNKT-VHSXEESVSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@@H]1CCC[N@H+]([C@@H]2CCSC2)C1 ZINC000044527811 385308875 /nfs/dbraw/zinc/30/88/75/385308875.db2.gz PAIBBRIUDWCNKT-VHSXEESVSA-N 1 3 200.351 1.163 10 0 BDAEHO CCOC[C@H]1CCC[N@@H+]1C1CCNCC1 ZINC000409428959 385328729 /nfs/dbraw/zinc/32/87/29/385328729.db2.gz NKLIPFPYZMEGRL-GFCCVEGCSA-N 1 3 212.337 1.239 10 0 BDAEHO CCOC[C@H]1CCC[N@H+]1C1CCNCC1 ZINC000409428959 385328732 /nfs/dbraw/zinc/32/87/32/385328732.db2.gz NKLIPFPYZMEGRL-GFCCVEGCSA-N 1 3 212.337 1.239 10 0 BDAEHO CCOC[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000409428959 385328734 /nfs/dbraw/zinc/32/87/34/385328734.db2.gz NKLIPFPYZMEGRL-GFCCVEGCSA-N 1 3 212.337 1.239 10 0 BDAEHO CS[C@@H]1CC[C@H]1N1CCC([NH3+])CC1 ZINC000575567210 386087158 /nfs/dbraw/zinc/08/71/58/386087158.db2.gz YRYHOBLVIAWDAM-NXEZZACHSA-N 1 3 200.351 1.304 10 0 BDAEHO N[C@@H](CCCC[NH3+])c1cc(O)cc(O)c1 ZINC000575439476 387123050 /nfs/dbraw/zinc/12/30/50/387123050.db2.gz ABXOVYBQXVFRSH-NSHDSACASA-N 1 3 210.277 1.227 10 0 BDAEHO COc1cc(F)c([C@@H](N)CCC[NH3+])c(F)c1 ZINC000575438334 387128937 /nfs/dbraw/zinc/12/89/37/387128937.db2.gz IVRJRAHFQZIENG-JTQLQIEISA-N 1 3 230.258 1.712 10 0 BDAEHO C[C@H](NCCc1ccsc1)[C@H]1CC[NH2+]C1 ZINC000400437791 387303377 /nfs/dbraw/zinc/30/33/77/387303377.db2.gz NDZLHTQFZCBUQJ-JQWIXIFHSA-N 1 3 224.373 1.878 10 0 BDAEHO C[C@H](NC[C@H]1CC[C@@H](C)O1)[C@H]1CCC[NH2+]C1 ZINC000516016507 387448342 /nfs/dbraw/zinc/44/83/42/387448342.db2.gz DMGIMSWPQGQJDT-MROQNXINSA-N 1 3 226.364 1.532 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@@H]1CCCNC1 ZINC000643456026 387493693 /nfs/dbraw/zinc/49/36/93/387493693.db2.gz UXFAKPYKRWELRY-LOWDOPEQSA-N 1 3 226.364 1.268 10 0 BDAEHO C[C@H]([NH2+]C1CCC(CO)CC1)[C@H]1CCCNC1 ZINC000643471296 387479459 /nfs/dbraw/zinc/47/94/59/387479459.db2.gz OXVCXKPISVAEKL-AHPWVWPOSA-N 1 3 240.391 1.515 10 0 BDAEHO c1ccc(CCCC[NH2+][C@H]2CCNC2)cc1 ZINC000643458375 387825776 /nfs/dbraw/zinc/82/57/76/387825776.db2.gz SYBRLYNSDQDJSU-AWEZNQCLSA-N 1 3 218.344 1.961 10 0 BDAEHO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCNCC2)C[C@H](C)O1 ZINC000423099734 387887750 /nfs/dbraw/zinc/88/77/50/387887750.db2.gz MJUWCPNVUQCREF-CRWXNKLISA-N 1 3 240.391 1.922 10 0 BDAEHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000423215442 387996717 /nfs/dbraw/zinc/99/67/17/387996717.db2.gz NWCNTHXOSBNGDE-FXMAPVFUSA-N 1 3 208.349 1.904 10 0 BDAEHO C[C@H](N[C@@H](CO)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400324014 388115568 /nfs/dbraw/zinc/11/55/68/388115568.db2.gz BYSYJVHZTCDUGD-UHTWSYAYSA-N 1 3 226.364 1.125 10 0 BDAEHO CC1(C)C[NH+](C[C@H]2CNCCS2)C1 ZINC000575522787 388358837 /nfs/dbraw/zinc/35/88/37/388358837.db2.gz RUQJVQQKMQWVGX-SECBINFHSA-N 1 3 200.351 1.033 10 0 BDAEHO COC[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400415965 388425889 /nfs/dbraw/zinc/42/58/89/388425889.db2.gz VGEKJLCALVIKNQ-UTUOFQBUSA-N 1 3 214.353 1.245 10 0 BDAEHO CC[C@H]([NH2+]CCOCCN(C)C)[C@@H]1CC1(C)C ZINC000397637309 388486326 /nfs/dbraw/zinc/48/63/26/388486326.db2.gz XKRKLGFLFMQMLR-STQMWFEESA-N 1 3 242.407 1.979 10 0 BDAEHO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000564825718 388891316 /nfs/dbraw/zinc/89/13/16/388891316.db2.gz DRQSVHQVAFJMMA-AVGNSLFASA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CCCNC1 ZINC000566088884 388986588 /nfs/dbraw/zinc/98/65/88/388986588.db2.gz GRELXANPIOKREB-KKOKHZNYSA-N 1 3 228.405 1.858 10 0 BDAEHO C[C@@H](N[C@@H]1CS[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000566088884 388986591 /nfs/dbraw/zinc/98/65/91/388986591.db2.gz GRELXANPIOKREB-KKOKHZNYSA-N 1 3 228.405 1.858 10 0 BDAEHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCSC2)CCN1 ZINC000575513205 389016949 /nfs/dbraw/zinc/01/69/49/389016949.db2.gz BNEMMMBJEIODLS-UTLUCORTSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@@H]1C[C@@H](N[C@H]2CCSC2)CC[NH2+]1 ZINC000575513205 389016953 /nfs/dbraw/zinc/01/69/53/389016953.db2.gz BNEMMMBJEIODLS-UTLUCORTSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@@H](NCCc1cccs1)[C@H]1CC[NH2+]C1 ZINC000400436801 533404958 /nfs/dbraw/zinc/40/49/58/533404958.db2.gz MWRFOCJQVYKQDS-MNOVXSKESA-N 1 3 224.373 1.878 10 0 BDAEHO CC[NH2+]CCNCC1(CC)CCOCC1 ZINC000261534883 535476796 /nfs/dbraw/zinc/47/67/96/535476796.db2.gz NHOURCFLKCTBQW-UHFFFAOYSA-N 1 3 214.353 1.392 10 0 BDAEHO C[C@@H](C[NH3+])CCN1CCN(c2ccccc2)CC1 ZINC000049835978 132358428 /nfs/dbraw/zinc/35/84/28/132358428.db2.gz OIRROBOMSMRYJJ-CQSZACIVSA-N 1 3 247.386 1.794 10 0 BDAEHO NCc1ccc(Cl)cc1N1CC[NH2+]CC1 ZINC000062787039 132388779 /nfs/dbraw/zinc/38/87/79/132388779.db2.gz BWGVUQCMONCLRJ-UHFFFAOYSA-N 1 3 225.723 1.208 10 0 BDAEHO CC(C)COCCC[NH2+][C@@H]1CCCNCC1 ZINC000168711148 134246718 /nfs/dbraw/zinc/24/67/18/134246718.db2.gz BRTZZSBYJKWIJL-CYBMUJFWSA-N 1 3 228.380 1.781 10 0 BDAEHO CC(C)(CCCO)C[NH2+][C@@H]1CCCNCC1 ZINC000227914306 134399627 /nfs/dbraw/zinc/39/96/27/134399627.db2.gz KRZYGTOZESMYBV-GFCCVEGCSA-N 1 3 228.380 1.517 10 0 BDAEHO CN(CCC[NH+](C)C)C[C@H]1CCCC[C@H]1O ZINC000250342825 135090940 /nfs/dbraw/zinc/09/09/40/135090940.db2.gz DLQDDIJWNPFESR-CHWSQXEVSA-N 1 3 228.380 1.421 10 0 BDAEHO O[C@@H]1CC[C@H]2CN(CCC[NH+]3CCCC3)C[C@H]12 ZINC000252857407 135113869 /nfs/dbraw/zinc/11/38/69/135113869.db2.gz IJRSMFUJKWIHKZ-MELADBBJSA-N 1 3 238.375 1.175 10 0 BDAEHO CCC(CC)(CC)CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263214480 135340466 /nfs/dbraw/zinc/34/04/66/135340466.db2.gz KSDZZAWZWFKCBD-VXGBXAGGSA-N 1 3 228.380 1.373 10 0 BDAEHO CCC(CC)(CC)C[NH2+]C[C@H]1CNC[C@H]1O ZINC000263214480 135340467 /nfs/dbraw/zinc/34/04/67/135340467.db2.gz KSDZZAWZWFKCBD-VXGBXAGGSA-N 1 3 228.380 1.373 10 0 BDAEHO O[C@H]1C[NH2+]C[C@H]1CNCCC1CCCCC1 ZINC000263317181 135346725 /nfs/dbraw/zinc/34/67/25/135346725.db2.gz ZQROLJWDWGROEP-OLZOCXBDSA-N 1 3 226.364 1.127 10 0 BDAEHO CC(C)C[NH2+]CCC[C@@H](C)N1CCN(C)CC1 ZINC000052379479 167003691 /nfs/dbraw/zinc/00/36/91/167003691.db2.gz BIXRPCQHOGSFEL-CQSZACIVSA-N 1 3 241.423 1.648 10 0 BDAEHO C[C@H](NCCc1ccoc1)[C@@H]1CC[NH2+]C1 ZINC000665261447 410736825 /nfs/dbraw/zinc/73/68/25/410736825.db2.gz CQFPUIIEMGCFPE-CMPLNLGQSA-N 1 3 208.305 1.410 10 0 BDAEHO C[C@@H](NCCc1ccoc1)[C@@H]1CC[NH2+]C1 ZINC000665261450 410737210 /nfs/dbraw/zinc/73/72/10/410737210.db2.gz CQFPUIIEMGCFPE-ZYHUDNBSSA-N 1 3 208.305 1.410 10 0 BDAEHO CC(C)[NH2+]CCNCCN1CCCCC1 ZINC000049478227 167106859 /nfs/dbraw/zinc/10/68/59/167106859.db2.gz IMSCYVZYANJMDA-UHFFFAOYSA-N 1 3 213.369 1.060 10 0 BDAEHO Cc1cnc(CCN[C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000656199846 411204835 /nfs/dbraw/zinc/20/48/35/411204835.db2.gz FSSXRFUKGUHJJN-AWEZNQCLSA-N 1 3 247.386 1.973 10 0 BDAEHO CCn1cccc1C[NH2+]C[C@H]1CCN(CC)C1 ZINC000091025359 170016798 /nfs/dbraw/zinc/01/67/98/170016798.db2.gz FECPUASUFILIFN-CYBMUJFWSA-N 1 3 235.375 1.939 10 0 BDAEHO CC[NH2+]C1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000040715850 170109224 /nfs/dbraw/zinc/10/92/24/170109224.db2.gz ILZKWBHEFLEALA-CYBMUJFWSA-N 1 3 225.380 1.155 10 0 BDAEHO CC[NH2+]C[C@H](C)CN(C)[C@@H]1CCSC1 ZINC000052453090 170121808 /nfs/dbraw/zinc/12/18/08/170121808.db2.gz JOHYVQVDELAIGX-WDEREUQCSA-N 1 3 216.394 1.669 10 0 BDAEHO CCOC1CC[NH+]([C@@H](C)[C@H](C)N)CC1 ZINC000041053898 170332464 /nfs/dbraw/zinc/33/24/64/170332464.db2.gz DDHAWXMFYUOUNI-UWVGGRQHSA-N 1 3 200.326 1.223 10 0 BDAEHO CCOCCC[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000076519211 170380247 /nfs/dbraw/zinc/38/02/47/170380247.db2.gz MAZRGEDJWSHVIH-CYBMUJFWSA-N 1 3 228.380 1.733 10 0 BDAEHO CC[C@@H]1CC[N@H+](C[C@@H]2CCOC2)CCCN1 ZINC000061148133 171012838 /nfs/dbraw/zinc/01/28/38/171012838.db2.gz QQHQVTDREPWTOM-QWHCGFSZSA-N 1 3 226.364 1.487 10 0 BDAEHO CC[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)CCCN1 ZINC000061148133 171012843 /nfs/dbraw/zinc/01/28/43/171012843.db2.gz QQHQVTDREPWTOM-QWHCGFSZSA-N 1 3 226.364 1.487 10 0 BDAEHO CC[C@@H]1CCN(C[C@@H]2CCOC2)CCC[NH2+]1 ZINC000061148133 171012844 /nfs/dbraw/zinc/01/28/44/171012844.db2.gz QQHQVTDREPWTOM-QWHCGFSZSA-N 1 3 226.364 1.487 10 0 BDAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([N@H+](CCO)C(C)C)C1 ZINC000042478617 171040603 /nfs/dbraw/zinc/04/06/03/171040603.db2.gz ICKXPBPORULOOJ-HZSPNIEDSA-N 1 3 242.407 1.843 10 0 BDAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([N@@H+](CCO)C(C)C)C1 ZINC000042478617 171040605 /nfs/dbraw/zinc/04/06/05/171040605.db2.gz ICKXPBPORULOOJ-HZSPNIEDSA-N 1 3 242.407 1.843 10 0 BDAEHO CC[C@@H]1CN([C@@H](C)C[NH2+]C(C)(C)C)CCN1C ZINC000104126308 171093930 /nfs/dbraw/zinc/09/39/30/171093930.db2.gz UUVBPVKZLHTOKT-QWHCGFSZSA-N 1 3 241.423 1.789 10 0 BDAEHO CC[C@H](C)N1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC000055066953 171318555 /nfs/dbraw/zinc/31/85/55/171318555.db2.gz OLOXTGROEGPVGC-STQMWFEESA-N 1 3 225.380 1.155 10 0 BDAEHO CC[C@H](C)N1CCN(C[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000055072370 171319650 /nfs/dbraw/zinc/31/96/50/171319650.db2.gz CGTZGGHJEXEOJY-IHRRRGAJSA-N 1 3 239.407 1.530 10 0 BDAEHO CC[C@H](C)[N@@H+]1C[C@H](CN)OC(C)(C)C1 ZINC000034679640 171319776 /nfs/dbraw/zinc/31/97/76/171319776.db2.gz ABJCGVYHIYBOEF-UWVGGRQHSA-N 1 3 200.326 1.223 10 0 BDAEHO CC[C@H](C)[N@H+]1C[C@H](CN)OC(C)(C)C1 ZINC000034679640 171319777 /nfs/dbraw/zinc/31/97/77/171319777.db2.gz ABJCGVYHIYBOEF-UWVGGRQHSA-N 1 3 200.326 1.223 10 0 BDAEHO CC[C@H]([NH2+]C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000662493896 412194008 /nfs/dbraw/zinc/19/40/08/412194008.db2.gz SXFUDOYHYHOIQB-NEPJUHHUSA-N 1 3 243.395 1.077 10 0 BDAEHO C[C@H](NC[C@@]1(C)CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000665267149 412203948 /nfs/dbraw/zinc/20/39/48/412203948.db2.gz QMVZDJWJQWLPEC-IVZWLZJFSA-N 1 3 218.291 1.619 10 0 BDAEHO C[C@@H]1CCC[C@@H](CNC2CC[NH2+]CC2)O1 ZINC000665264925 412206679 /nfs/dbraw/zinc/20/66/79/412206679.db2.gz LYFNZZHXDUIVQN-PWSUYJOCSA-N 1 3 212.337 1.286 10 0 BDAEHO C[C@@H]1CCC[C@@H](C[NH2+]C2CCNCC2)O1 ZINC000665264925 412206682 /nfs/dbraw/zinc/20/66/82/412206682.db2.gz LYFNZZHXDUIVQN-PWSUYJOCSA-N 1 3 212.337 1.286 10 0 BDAEHO c1ccc2c(c1)nccc2NCC12CC(C1)C[NH2+]2 ZINC000663274967 412405033 /nfs/dbraw/zinc/40/50/33/412405033.db2.gz XGKBEYAETGGWQZ-UHFFFAOYSA-N 1 3 239.322 1.821 10 0 BDAEHO CN(CCCN1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000034689382 172706766 /nfs/dbraw/zinc/70/67/66/172706766.db2.gz APUHSUVFVRDLHI-CQSZACIVSA-N 1 3 247.386 1.794 10 0 BDAEHO CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(C)C1 ZINC000053245399 173044335 /nfs/dbraw/zinc/04/43/35/173044335.db2.gz MAFZPBWXXHMEKU-OLZOCXBDSA-N 1 3 225.380 1.012 10 0 BDAEHO CN1CC[C@@H](C[N@H+](C)[C@@H](CN)C2CCCC2)C1 ZINC000071188367 173113083 /nfs/dbraw/zinc/11/30/83/173113083.db2.gz FAKXZEFAZHFVII-OCCSQVGLSA-N 1 3 239.407 1.387 10 0 BDAEHO CN1CC[C@@H](C[N@@H+](C)[C@@H](CN)C2CCCC2)C1 ZINC000071188367 173113085 /nfs/dbraw/zinc/11/30/85/173113085.db2.gz FAKXZEFAZHFVII-OCCSQVGLSA-N 1 3 239.407 1.387 10 0 BDAEHO CN1CC[C@@H](CNC2=[NH+]CCCS2)C1 ZINC000037485224 173116294 /nfs/dbraw/zinc/11/62/94/173116294.db2.gz UHTGQBXCGVBGDT-VIFPVBQESA-N 1 3 213.350 1.021 10 0 BDAEHO CN1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000037484581 173147391 /nfs/dbraw/zinc/14/73/91/173147391.db2.gz NAKWAEXAEZIFHO-GFCCVEGCSA-N 1 3 222.307 1.867 10 0 BDAEHO CN(Cc1ccccc1)C[C@@H]1CN(C)CC[C@@H]1[NH3+] ZINC000058081889 173148384 /nfs/dbraw/zinc/14/83/84/173148384.db2.gz PZNCCKNONWHSRL-GJZGRUSLSA-N 1 3 247.386 1.397 10 0 BDAEHO CN(C)c1cc[nH+]cc1N[C@H]1CCN(C)C1 ZINC000061985081 173155799 /nfs/dbraw/zinc/15/57/99/173155799.db2.gz RBKKPSMIBQGNMI-JTQLQIEISA-N 1 3 220.320 1.264 10 0 BDAEHO CN1C[C@@H]2C[C@]2(c2ccc(C[NH3+])cc2)C1 ZINC000034894329 173189382 /nfs/dbraw/zinc/18/93/82/173189382.db2.gz PSKOEGJEINUYCI-QWHCGFSZSA-N 1 3 202.301 1.348 10 0 BDAEHO C[N@H+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CCCCO1)C2 ZINC000042814708 173207219 /nfs/dbraw/zinc/20/72/19/173207219.db2.gz RWSTUJCCYRSBHP-GSPSYOTPSA-N 1 3 238.375 1.770 10 0 BDAEHO C[N@@H+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CCCCO1)C2 ZINC000042814708 173207221 /nfs/dbraw/zinc/20/72/21/173207221.db2.gz RWSTUJCCYRSBHP-GSPSYOTPSA-N 1 3 238.375 1.770 10 0 BDAEHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[C@@H]1CCCO1 ZINC000054629392 173324263 /nfs/dbraw/zinc/32/42/63/173324263.db2.gz FOLMCFWFEHASIQ-GSPSYOTPSA-N 1 3 238.375 1.770 10 0 BDAEHO CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCCO1 ZINC000054629392 173324264 /nfs/dbraw/zinc/32/42/64/173324264.db2.gz FOLMCFWFEHASIQ-GSPSYOTPSA-N 1 3 238.375 1.770 10 0 BDAEHO CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCCO1 ZINC000054629392 173324265 /nfs/dbraw/zinc/32/42/65/173324265.db2.gz FOLMCFWFEHASIQ-GSPSYOTPSA-N 1 3 238.375 1.770 10 0 BDAEHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCn1ccnc1 ZINC000054627896 173324564 /nfs/dbraw/zinc/32/45/64/173324564.db2.gz XJOQITNBTLGNQE-AGUYFDCRSA-N 1 3 248.374 1.488 10 0 BDAEHO CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCn1ccnc1 ZINC000054627896 173324565 /nfs/dbraw/zinc/32/45/65/173324565.db2.gz XJOQITNBTLGNQE-AGUYFDCRSA-N 1 3 248.374 1.488 10 0 BDAEHO CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1ccnc1 ZINC000054627896 173324567 /nfs/dbraw/zinc/32/45/67/173324567.db2.gz XJOQITNBTLGNQE-AGUYFDCRSA-N 1 3 248.374 1.488 10 0 BDAEHO CNC[C@@]1(C[NH+]2CCCCCC2)CCOC1 ZINC000051210416 173373036 /nfs/dbraw/zinc/37/30/36/173373036.db2.gz YSQJFBBQUGXSPM-CYBMUJFWSA-N 1 3 226.364 1.489 10 0 BDAEHO C[NH2+]C[C@@]1(CN2CCCCCC2)CCOC1 ZINC000051210416 173373037 /nfs/dbraw/zinc/37/30/37/173373037.db2.gz YSQJFBBQUGXSPM-CYBMUJFWSA-N 1 3 226.364 1.489 10 0 BDAEHO CNC[C@@]1(C[N@H+](C)[C@H](C)CC(C)C)CCOC1 ZINC000051258510 173373050 /nfs/dbraw/zinc/37/30/50/173373050.db2.gz VVIWTGVEEVXYGQ-ZIAGYGMSSA-N 1 3 242.407 1.979 10 0 BDAEHO CNC[C@@]1(C[N@@H+](C)[C@H](C)CC(C)C)CCOC1 ZINC000051258510 173373051 /nfs/dbraw/zinc/37/30/51/173373051.db2.gz VVIWTGVEEVXYGQ-ZIAGYGMSSA-N 1 3 242.407 1.979 10 0 BDAEHO C[NH2+]C[C@@]1(CN(C)[C@H](C)CC(C)C)CCOC1 ZINC000051258510 173373053 /nfs/dbraw/zinc/37/30/53/173373053.db2.gz VVIWTGVEEVXYGQ-ZIAGYGMSSA-N 1 3 242.407 1.979 10 0 BDAEHO C[NH2+][C@@H]1CCCC[C@@H]1CN1CCC(O)CC1 ZINC000060720626 173431968 /nfs/dbraw/zinc/43/19/68/173431968.db2.gz QAAJGXJQNLWVPC-DGCLKSJQSA-N 1 3 226.364 1.221 10 0 BDAEHO COC1CC[NH+](C[C@@H](N)C(C)C)CC1 ZINC000037266508 174028851 /nfs/dbraw/zinc/02/88/51/174028851.db2.gz VQJDCTWNZFKSTP-LLVKDONJSA-N 1 3 200.326 1.081 10 0 BDAEHO COC1CC[NH+]([C@@H]2C[C@H](C)CC[C@@H]2CN)CC1 ZINC000037265707 174030478 /nfs/dbraw/zinc/03/04/78/174030478.db2.gz VDRYGTSWQQTUEM-YRGRVCCFSA-N 1 3 240.391 1.861 10 0 BDAEHO COCCN(C[C@]1(C)CC[NH2+]C1)[C@@H](C)C1CC1 ZINC000062911985 174297782 /nfs/dbraw/zinc/29/77/82/174297782.db2.gz HNTDKAHWEOYNMD-GXTWGEPZSA-N 1 3 240.391 1.733 10 0 BDAEHO COc1ccc(CN(C)C)cc1C[C@H](C)[NH3+] ZINC000044462989 175094771 /nfs/dbraw/zinc/09/47/71/175094771.db2.gz NEZRDFZJIWGYJB-JTQLQIEISA-N 1 3 222.332 1.647 10 0 BDAEHO C[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)CCCN1 ZINC000044982832 176172995 /nfs/dbraw/zinc/17/29/95/176172995.db2.gz YXCFYYJLHWPCNU-OLZOCXBDSA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)CCCN1 ZINC000044982832 176172996 /nfs/dbraw/zinc/17/29/96/176172996.db2.gz YXCFYYJLHWPCNU-OLZOCXBDSA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CC1CCOCC1 ZINC000052173158 176224562 /nfs/dbraw/zinc/22/45/62/176224562.db2.gz FOCBECLADCKFDF-DGCLKSJQSA-N 1 3 226.364 1.472 10 0 BDAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1CC1CCOCC1 ZINC000052173158 176224564 /nfs/dbraw/zinc/22/45/64/176224564.db2.gz FOCBECLADCKFDF-DGCLKSJQSA-N 1 3 226.364 1.472 10 0 BDAEHO C[C@H]([C@@H]1CCCO1)N1CCC[NH2+]CCC1 ZINC000049666237 177030991 /nfs/dbraw/zinc/03/09/91/177030991.db2.gz XAWZSKQWJDPAIN-NEPJUHHUSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@H]([C@@H]1CCCO1)[NH+]1CCCNCCC1 ZINC000049666237 177030993 /nfs/dbraw/zinc/03/09/93/177030993.db2.gz XAWZSKQWJDPAIN-NEPJUHHUSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@@H]1CN(CCCCC[NH3+])C[C@H](C)O1 ZINC000049580594 177248000 /nfs/dbraw/zinc/24/80/00/177248000.db2.gz CVTPSRHBNUNVFZ-PHIMTYICSA-N 1 3 200.326 1.225 10 0 BDAEHO C[C@H]1C[NH+]=C(NC[C@@H]2CCN(C)C2)S1 ZINC000037485234 177281434 /nfs/dbraw/zinc/28/14/34/177281434.db2.gz XHRQKRWYRLLKGD-IUCAKERBSA-N 1 3 213.350 1.019 10 0 BDAEHO C[C@H]1C[NH2+]C[C@H](C)CN(CCc2cccnc2)C1 ZINC000049666872 177285224 /nfs/dbraw/zinc/28/52/24/177285224.db2.gz FQRSGEUEXURTQU-KBPBESRZSA-N 1 3 247.386 1.802 10 0 BDAEHO C[C@H]1CSC(NC[C@@H]2CCCN(C)C2)=[NH+]1 ZINC000044538328 177302875 /nfs/dbraw/zinc/30/28/75/177302875.db2.gz LHHKXIFFQPXGAT-UWVGGRQHSA-N 1 3 227.377 1.409 10 0 BDAEHO C[C@@H](NCCOCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400502994 226345341 /nfs/dbraw/zinc/34/53/41/226345341.db2.gz CNXVKXIBUXKDRO-UKRRQHHQSA-N 1 3 248.370 1.791 10 0 BDAEHO Cn1cncc1CCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000314898612 487670297 /nfs/dbraw/zinc/67/02/97/487670297.db2.gz NCYHVXMNLDCDRG-IACUBPJLSA-N 1 3 248.374 1.022 10 0 BDAEHO C[C@H](N[C@H]1CSC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000306966887 229399567 /nfs/dbraw/zinc/39/95/67/229399567.db2.gz MCRFFJDVKQIGQN-RCWTZXSCSA-N 1 3 214.378 1.326 10 0 BDAEHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)C1 ZINC000250999031 487745188 /nfs/dbraw/zinc/74/51/88/487745188.db2.gz DHBJHRDCXHSDCT-FVCCEPFGSA-N 1 3 226.364 1.397 10 0 BDAEHO C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@H]1CCCNC1 ZINC000562744793 323029843 /nfs/dbraw/zinc/02/98/43/323029843.db2.gz VZDDLNUCKDBIHK-SYQHCUMBSA-N 1 3 240.391 1.779 10 0 BDAEHO CSC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000570153609 323051588 /nfs/dbraw/zinc/05/15/88/323051588.db2.gz NBXBMIJNXUNIBC-HBNTYKKESA-N 1 3 216.394 1.716 10 0 BDAEHO CSC[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000570153609 323051589 /nfs/dbraw/zinc/05/15/89/323051589.db2.gz NBXBMIJNXUNIBC-HBNTYKKESA-N 1 3 216.394 1.716 10 0 BDAEHO CCC[C@@H](N)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404887366 326101609 /nfs/dbraw/zinc/10/16/09/326101609.db2.gz NHQRKYLZTBNVRT-NWDGAFQWSA-N 1 3 241.379 1.057 10 0 BDAEHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)[C@H](C)O ZINC000567639405 326237033 /nfs/dbraw/zinc/23/70/33/326237033.db2.gz NDCPTJXPKQGRSZ-KXNHARMFSA-N 1 3 214.353 1.124 10 0 BDAEHO CCO[C@@H]1C[N@@H+]([C@@H](C)C(C)C)C[C@H]1CN ZINC000405320209 487480949 /nfs/dbraw/zinc/48/09/49/487480949.db2.gz YTVCFNLAIMOLGN-QJPTWQEYSA-N 1 3 214.353 1.327 10 0 BDAEHO CCO[C@@H]1C[N@H+]([C@@H](C)C(C)C)C[C@H]1CN ZINC000405320209 487480950 /nfs/dbraw/zinc/48/09/50/487480950.db2.gz YTVCFNLAIMOLGN-QJPTWQEYSA-N 1 3 214.353 1.327 10 0 BDAEHO C[C@@H]1C[C@H](C)[C@H](CN)[C@@H](C2CCOCC2)[NH2+]1 ZINC000757209791 582559853 /nfs/dbraw/zinc/55/98/53/582559853.db2.gz GKLPKHSZCXIFDC-JULQROHOSA-N 1 3 226.364 1.374 10 0 BDAEHO C[C@H](NCCN1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000400390045 533856785 /nfs/dbraw/zinc/85/67/85/533856785.db2.gz ZLBPLWQDNQZXDC-KBPBESRZSA-N 1 3 239.407 1.306 10 0 BDAEHO C[C@H](NC[C@H]1CCCCO1)[C@H]1CC[NH2+]C1 ZINC000400456603 533906094 /nfs/dbraw/zinc/90/60/94/533906094.db2.gz QEALQUYKCRYCAJ-SDDRHHMPSA-N 1 3 212.337 1.143 10 0 BDAEHO CCCCOCCCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400744800 528586945 /nfs/dbraw/zinc/58/69/45/528586945.db2.gz UHBXUOCTKPMRER-OLZOCXBDSA-N 1 3 228.380 1.781 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@@]2(CCCN2CCN(C)C)C1 ZINC000757125179 582500287 /nfs/dbraw/zinc/50/02/87/582500287.db2.gz DDGRKOOKGLUBIR-QWHCGFSZSA-N 1 3 225.380 1.012 10 0 BDAEHO CCN1CCC2(CC1)[NH2+][C@H]1CCCC[C@H]1CO2 ZINC000757139726 582520397 /nfs/dbraw/zinc/52/03/97/582520397.db2.gz GYZWVRIUMCNPLV-STQMWFEESA-N 1 3 238.375 1.977 10 0 BDAEHO CN1CCC2(CC1)[NH2+][C@H](C(C)(C)C)CCO2 ZINC000757141730 582522630 /nfs/dbraw/zinc/52/26/30/582522630.db2.gz PTPNSSSDXYCCHS-NSHDSACASA-N 1 3 226.364 1.833 10 0 BDAEHO CCN1CCC2(CC1)[NH2+][C@@H](C)C[C@H](C)O2 ZINC000757145017 582526522 /nfs/dbraw/zinc/52/65/22/582526522.db2.gz HOTMWNWISZHZAK-QWRGUYRKSA-N 1 3 212.337 1.585 10 0 BDAEHO Cc1ccc(N)cc1[C@H]1C[NH2+]C[C@@H](CN)C1 ZINC000757237347 586443745 /nfs/dbraw/zinc/44/37/45/586443745.db2.gz PXMBKHZECYVMFV-GHMZBOCLSA-N 1 3 219.332 1.229 10 0 BDAEHO Cc1ccc(N)cc1[C@H]1CNC[C@@H](C[NH3+])C1 ZINC000757237347 586443747 /nfs/dbraw/zinc/44/37/47/586443747.db2.gz PXMBKHZECYVMFV-GHMZBOCLSA-N 1 3 219.332 1.229 10 0 BDAEHO CN(C[C@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000250377963 635467960 /nfs/dbraw/zinc/46/79/60/635467960.db2.gz IRFPNBAPLVTDPV-NWDGAFQWSA-N 1 3 212.337 1.239 10 0 BDAEHO CC(C)[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328567156 633776425 /nfs/dbraw/zinc/77/64/25/633776425.db2.gz NNMXLVFFNFDIQX-MCDVFOBDSA-N 1 3 208.349 1.617 10 0 BDAEHO C[C@@H]1CN2CCCC[C@H]2CN1C[C@H]1CCC[NH2+]1 ZINC000251654837 636762857 /nfs/dbraw/zinc/76/28/57/636762857.db2.gz GPMYQYDMYDTXTA-MCIONIFRSA-N 1 3 237.391 1.297 10 0 BDAEHO C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2cccc(N)c2)N1 ZINC000757210066 643370724 /nfs/dbraw/zinc/37/07/24/643370724.db2.gz DTMPPWAYWWQFMY-PJQZNRQZSA-N 1 3 233.359 1.903 10 0 BDAEHO C[C@@H]1[NH2+][C@@H](c2cccc(N)c2)CC[C@H]1N ZINC000757211080 643371822 /nfs/dbraw/zinc/37/18/22/643371822.db2.gz FTRVCMCNEZFCAU-XXILOJSOSA-N 1 3 205.305 1.409 10 0 BDAEHO CCN(C[C@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000249811267 644742373 /nfs/dbraw/zinc/74/23/73/644742373.db2.gz HDJMCMXHXGGUQM-QWHCGFSZSA-N 1 3 226.364 1.629 10 0 BDAEHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CCCO2)C1 ZINC000251680009 644816697 /nfs/dbraw/zinc/81/66/97/644816697.db2.gz VRYJPWNQEQQBLN-QJPTWQEYSA-N 1 3 212.337 1.225 10 0 BDAEHO COC[C@H](C[N@@H+]1C[C@H](C)[C@@H](CN)C1)C(C)C ZINC000721921366 711937113 /nfs/dbraw/zinc/93/71/13/711937113.db2.gz RGOWCOIMAHQSJI-AVGNSLFASA-N 1 3 228.380 1.432 10 0 BDAEHO COC[C@H](C[N@H+]1C[C@H](C)[C@@H](CN)C1)C(C)C ZINC000721921366 711937115 /nfs/dbraw/zinc/93/71/15/711937115.db2.gz RGOWCOIMAHQSJI-AVGNSLFASA-N 1 3 228.380 1.432 10 0 BDAEHO CCC1([NH3+])CCN([C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000714752965 712497380 /nfs/dbraw/zinc/49/73/80/712497380.db2.gz GKRXJSHOUNHGAW-IJLUTSLNSA-N 1 3 226.364 1.756 10 0 BDAEHO CC[C@@H]([NH2+]C1CCNCC1)[C@@H]1CCCOC1 ZINC000724009750 711555122 /nfs/dbraw/zinc/55/51/22/711555122.db2.gz NZAZDPZTOHLIHN-DGCLKSJQSA-N 1 3 226.364 1.533 10 0 BDAEHO [NH3+][C@@H](CC(F)F)CN1CCN2CCCC[C@@H]2C1 ZINC000310082252 711707936 /nfs/dbraw/zinc/70/79/36/711707936.db2.gz KIJGZKYHWGIFKV-WDEREUQCSA-N 1 3 247.333 1.139 10 0 BDAEHO CCC1([NH3+])CCN([C@H](C)[C@@H]2CCCO2)CC1 ZINC000714754877 712497979 /nfs/dbraw/zinc/49/79/79/712497979.db2.gz YWYVVNNOTHXWLI-NEPJUHHUSA-N 1 3 226.364 1.757 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H]1CCCNC1 ZINC000576458615 365601798 /nfs/dbraw/zinc/60/17/98/365601798.db2.gz SXFIXMMQSDXOHE-WUHRBBMRSA-N 1 3 226.364 1.268 10 0 BDAEHO C[C@H](N[C@@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC000576458615 365601805 /nfs/dbraw/zinc/60/18/05/365601805.db2.gz SXFIXMMQSDXOHE-WUHRBBMRSA-N 1 3 226.364 1.268 10 0 BDAEHO CCC(CC)[N@H+](CCOC)[C@H]1COCC[C@@H]1N ZINC000042616097 168375508 /nfs/dbraw/zinc/37/55/08/168375508.db2.gz IGJLLRRLISCDTI-STQMWFEESA-N 1 3 244.379 1.240 10 0 BDAEHO CCC(CC)[N@@H+](CCOC)[C@H]1COCC[C@@H]1N ZINC000042616097 168375509 /nfs/dbraw/zinc/37/55/09/168375509.db2.gz IGJLLRRLISCDTI-STQMWFEESA-N 1 3 244.379 1.240 10 0 BDAEHO CNc1ccccc1[C@H]1CC[N@H+](CCN)C1 ZINC000616613135 349614271 /nfs/dbraw/zinc/61/42/71/349614271.db2.gz YRBLUJROQWBJAS-NSHDSACASA-N 1 3 219.332 1.476 10 0 BDAEHO CNc1ccccc1[C@H]1CC[N@@H+](CCN)C1 ZINC000616613135 349614273 /nfs/dbraw/zinc/61/42/73/349614273.db2.gz YRBLUJROQWBJAS-NSHDSACASA-N 1 3 219.332 1.476 10 0 BDAEHO C[C@@H](CC(N)=[NH2+])N1CCCSCC1 ZINC000042444058 362000134 /nfs/dbraw/zinc/00/01/34/362000134.db2.gz MOKAAKWGMUGCLU-QMMMGPOBSA-N 1 3 201.339 1.140 10 0 BDAEHO C[C@@H]1CC[C@H](CN2C[C@H](C)[C@@H](C[NH3+])C2)O1 ZINC000634688397 343246100 /nfs/dbraw/zinc/24/61/00/343246100.db2.gz RAUAFXILIJPDJH-WHOHXGKFSA-N 1 3 212.337 1.081 10 0 BDAEHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](C)[C@@H](CN)C2)O1 ZINC000634688397 343246102 /nfs/dbraw/zinc/24/61/02/343246102.db2.gz RAUAFXILIJPDJH-WHOHXGKFSA-N 1 3 212.337 1.081 10 0 BDAEHO C[C@@H]1CC[C@H](C[N@H+]2C[C@H](C)[C@@H](CN)C2)O1 ZINC000634688397 343246103 /nfs/dbraw/zinc/24/61/03/343246103.db2.gz RAUAFXILIJPDJH-WHOHXGKFSA-N 1 3 212.337 1.081 10 0 BDAEHO CC[NH+](CC)CCN1CCN2CCCC[C@@H]2C1 ZINC000179291148 346979631 /nfs/dbraw/zinc/97/96/31/346979631.db2.gz WOQAWIICTLUYLZ-CQSZACIVSA-N 1 3 239.407 1.498 10 0 BDAEHO [NH3+]C[C@]12CC[C@H]1CN(Cc1ccccc1)C2 ZINC000409430120 343807704 /nfs/dbraw/zinc/80/77/04/343807704.db2.gz LIIHLGGEVZMUBJ-KBPBESRZSA-N 1 3 216.328 1.857 10 0 BDAEHO NC[C@]12CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000409430120 343807707 /nfs/dbraw/zinc/80/77/07/343807707.db2.gz LIIHLGGEVZMUBJ-KBPBESRZSA-N 1 3 216.328 1.857 10 0 BDAEHO NC[C@]12CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000409430120 343807709 /nfs/dbraw/zinc/80/77/09/343807709.db2.gz LIIHLGGEVZMUBJ-KBPBESRZSA-N 1 3 216.328 1.857 10 0 BDAEHO C1C[C@H]2COCC[N@@H+](C3CCNCC3)[C@H]2C1 ZINC000409430320 343808209 /nfs/dbraw/zinc/80/82/09/343808209.db2.gz VFRJYNBGLZBNRG-AAEUAGOBSA-N 1 3 224.348 1.239 10 0 BDAEHO C1C[C@H]2COCC[N@H+](C3CCNCC3)[C@H]2C1 ZINC000409430320 343808211 /nfs/dbraw/zinc/80/82/11/343808211.db2.gz VFRJYNBGLZBNRG-AAEUAGOBSA-N 1 3 224.348 1.239 10 0 BDAEHO C1C[C@H]2COCCN(C3CC[NH2+]CC3)[C@H]2C1 ZINC000409430320 343808214 /nfs/dbraw/zinc/80/82/14/343808214.db2.gz VFRJYNBGLZBNRG-AAEUAGOBSA-N 1 3 224.348 1.239 10 0 BDAEHO COC[C@@]12C[N@H+](CCCN)C[C@H]1CCCC2 ZINC000409435566 343834130 /nfs/dbraw/zinc/83/41/30/343834130.db2.gz VLJFTZXUAKUAJC-CHWSQXEVSA-N 1 3 226.364 1.474 10 0 BDAEHO COC[C@@]12C[N@@H+](CCCN)C[C@H]1CCCC2 ZINC000409435566 343834132 /nfs/dbraw/zinc/83/41/32/343834132.db2.gz VLJFTZXUAKUAJC-CHWSQXEVSA-N 1 3 226.364 1.474 10 0 BDAEHO Cc1ccc(CNCC2CC[NH2+]CC2)o1 ZINC000040719710 344245084 /nfs/dbraw/zinc/24/50/84/344245084.db2.gz YECNTUZTTWYCDE-UHFFFAOYSA-N 1 3 208.305 1.677 10 0 BDAEHO CC[C@H]1CCN([C@]2(C[NH3+])CCSC2)C1 ZINC000166003007 344272239 /nfs/dbraw/zinc/27/22/39/344272239.db2.gz OAHFLOUFYOMSIH-QWRGUYRKSA-N 1 3 214.378 1.553 10 0 BDAEHO CCSCC[C@@H](C)[NH2+]C1CCNCC1 ZINC000133777834 344321880 /nfs/dbraw/zinc/32/18/80/344321880.db2.gz JUCVGJOAOVGXER-SNVBAGLBSA-N 1 3 216.394 1.860 10 0 BDAEHO CCSCC[N@@H+]1C[C@H](OC)C[C@@]1(C)CN ZINC000600886926 344386193 /nfs/dbraw/zinc/38/61/93/344386193.db2.gz UPXORAGGYDOBHP-MNOVXSKESA-N 1 3 232.393 1.178 10 0 BDAEHO CCSCC[N@H+]1C[C@H](OC)C[C@@]1(C)CN ZINC000600886926 344386195 /nfs/dbraw/zinc/38/61/95/344386195.db2.gz UPXORAGGYDOBHP-MNOVXSKESA-N 1 3 232.393 1.178 10 0 BDAEHO CC[C@H](N)[C@@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061917075 346179847 /nfs/dbraw/zinc/17/98/47/346179847.db2.gz LUSHDEIRGGAERP-MXWKQRLJSA-N 1 3 200.326 1.223 10 0 BDAEHO CC[C@H](N)[C@@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000061917075 346179848 /nfs/dbraw/zinc/17/98/48/346179848.db2.gz LUSHDEIRGGAERP-MXWKQRLJSA-N 1 3 200.326 1.223 10 0 BDAEHO Cc1cccc([C@@H](C[NH3+])N(C)CCN(C)C)c1C ZINC000104199391 179184094 /nfs/dbraw/zinc/18/40/94/179184094.db2.gz YDMMELKECITKRD-OAHLLOKOSA-N 1 3 249.402 1.797 10 0 BDAEHO CN(C[C@@H]1CC[NH2+]C1)[C@H]1CCSC1 ZINC000250454029 362804980 /nfs/dbraw/zinc/80/49/80/362804980.db2.gz WDEVTXFLMOBNIE-ZJUUUORDSA-N 1 3 200.351 1.033 10 0 BDAEHO CC[C@H](N)[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000217535707 350059951 /nfs/dbraw/zinc/05/99/51/350059951.db2.gz LUSHDEIRGGAERP-DCAQKATOSA-N 1 3 200.326 1.223 10 0 BDAEHO CC[C@H](N)[C@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000217535707 350059954 /nfs/dbraw/zinc/05/99/54/350059954.db2.gz LUSHDEIRGGAERP-DCAQKATOSA-N 1 3 200.326 1.223 10 0 BDAEHO C[C@H](C[NH3+])[C@H](C)N1CCSC[C@@H]1C ZINC000222159923 350128652 /nfs/dbraw/zinc/12/86/52/350128652.db2.gz ULTHJTTVIOSKEX-UTLUCORTSA-N 1 3 202.367 1.407 10 0 BDAEHO CN1CCC[C@@H]1COc1cc(C[NH3+])ccn1 ZINC000222896465 350255167 /nfs/dbraw/zinc/25/51/67/350255167.db2.gz FFLPWLPOGYRRCB-LLVKDONJSA-N 1 3 221.304 1.013 10 0 BDAEHO NCc1ccc(C2=CC[C@@]3(C[C@H]3[NH3+])CC2)nc1F ZINC000725265259 538091897 /nfs/dbraw/zinc/09/18/97/538091897.db2.gz VAQISBMZIHBVAI-OCCSQVGLSA-N 1 3 247.317 1.964 10 0 BDAEHO C[C@H](CC[NH3+])N1C[C@@H](C)S[C@@H](C)C1 ZINC000226666407 350447171 /nfs/dbraw/zinc/44/71/71/350447171.db2.gz BIFJZLQQNHZCBM-BBBLOLIVSA-N 1 3 202.367 1.550 10 0 BDAEHO C[C@@H]1CSCCN1[C@H]1CCC[NH2+]CC1 ZINC000251891957 362980077 /nfs/dbraw/zinc/98/00/77/362980077.db2.gz VQSPBDVAJFBPSG-MNOVXSKESA-N 1 3 214.378 1.566 10 0 BDAEHO C[C@H]([NH3+])CCN1CCS[C@@H](C)[C@H]1C ZINC000253068886 350918829 /nfs/dbraw/zinc/91/88/29/350918829.db2.gz LEAFAGPQWYQDML-AEJSXWLSSA-N 1 3 202.367 1.550 10 0 BDAEHO C[C@@H]1C[C@@H](NC(N)=[NH2+])CCN1Cc1ccccc1 ZINC000306830935 351145329 /nfs/dbraw/zinc/14/53/29/351145329.db2.gz LXXPHOVTEDRCFA-YPMHNXCESA-N 1 3 246.358 1.523 10 0 BDAEHO [NH3+]CC[C@@H]1CCN(Cc2ccccc2)CCO1 ZINC000616664087 351215488 /nfs/dbraw/zinc/21/54/88/351215488.db2.gz NRMHJWSWBSSUPB-CQSZACIVSA-N 1 3 234.343 1.626 10 0 BDAEHO C[C@H]1CN(C2CSC2)C[C@]1(C)C[NH3+] ZINC000307030470 351431909 /nfs/dbraw/zinc/43/19/09/351431909.db2.gz PNHLAICTZZPUTE-WPRPVWTQSA-N 1 3 200.351 1.019 10 0 BDAEHO C[C@H]1C[N@@H+](C2CSC2)C[C@]1(C)CN ZINC000307030470 351431912 /nfs/dbraw/zinc/43/19/12/351431912.db2.gz PNHLAICTZZPUTE-WPRPVWTQSA-N 1 3 200.351 1.019 10 0 BDAEHO C[C@H]1C[N@H+](C2CSC2)C[C@]1(C)CN ZINC000307030470 351431914 /nfs/dbraw/zinc/43/19/14/351431914.db2.gz PNHLAICTZZPUTE-WPRPVWTQSA-N 1 3 200.351 1.019 10 0 BDAEHO CC1(CO)CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000334320499 535163201 /nfs/dbraw/zinc/16/32/01/535163201.db2.gz ZWEVJGBYKLNXPR-GFCCVEGCSA-N 1 3 226.364 1.080 10 0 BDAEHO CC1(CO)CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000334320499 535163204 /nfs/dbraw/zinc/16/32/04/535163204.db2.gz ZWEVJGBYKLNXPR-GFCCVEGCSA-N 1 3 226.364 1.080 10 0 BDAEHO C[C@H](C[NH3+])CN[C@H](C)CNC(=O)OC(C)(C)C ZINC000307296907 351907414 /nfs/dbraw/zinc/90/74/14/351907414.db2.gz RKKOMYCZVYTMOE-NXEZZACHSA-N 1 3 245.367 1.084 10 0 BDAEHO C[C@H](CN)C[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000307296907 351907417 /nfs/dbraw/zinc/90/74/17/351907417.db2.gz RKKOMYCZVYTMOE-NXEZZACHSA-N 1 3 245.367 1.084 10 0 BDAEHO C[C@@H]1C[C@H](N2CC[C@H]([NH3+])[C@@H](C)C2)CS1 ZINC000252173404 363190842 /nfs/dbraw/zinc/19/08/42/363190842.db2.gz ROHVGCQXGVDKDA-VLEAKVRGSA-N 1 3 214.378 1.550 10 0 BDAEHO CN(Cc1ccccc1)[C@H]1CC[C@@H]([NH3+])C1 ZINC000223110061 353136518 /nfs/dbraw/zinc/13/65/18/353136518.db2.gz SUEVMBMZZZPHAP-OLZOCXBDSA-N 1 3 204.317 1.998 10 0 BDAEHO c1ccc2c(c1)CN(C[C@H]1CCC[NH2+]1)C=N2 ZINC000095080708 188145370 /nfs/dbraw/zinc/14/53/70/188145370.db2.gz LICHQFNMUOYTPQ-GFCCVEGCSA-N 1 3 215.300 1.914 10 0 BDAEHO CN(c1ncc(C[NH3+])s1)[C@@H]1CCCN(C)C1 ZINC000054896327 188127162 /nfs/dbraw/zinc/12/71/62/188127162.db2.gz XQBYWFJPXOBQGX-SECBINFHSA-N 1 3 240.376 1.132 10 0 BDAEHO CCO[C@@H]1C[C@H](NCC[C@@H](C)[NH3+])C1(C)C ZINC000233766187 363407591 /nfs/dbraw/zinc/40/75/91/363407591.db2.gz DJEGGWAAHCEMMQ-OUAUKWLOSA-N 1 3 214.353 1.517 10 0 BDAEHO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)N)C1(C)C ZINC000233766187 363407594 /nfs/dbraw/zinc/40/75/94/363407594.db2.gz DJEGGWAAHCEMMQ-OUAUKWLOSA-N 1 3 214.353 1.517 10 0 BDAEHO CO[C@@H]1C[C@@H]([NH2+]C2CCNCC2)C12CCC2 ZINC000335617285 355323402 /nfs/dbraw/zinc/32/34/02/355323402.db2.gz YGUIARPTPJWQSN-VXGBXAGGSA-N 1 3 224.348 1.286 10 0 BDAEHO CO[C@@H]1C[C@@H](NC2CC[NH2+]CC2)C12CCC2 ZINC000335617285 355323403 /nfs/dbraw/zinc/32/34/03/355323403.db2.gz YGUIARPTPJWQSN-VXGBXAGGSA-N 1 3 224.348 1.286 10 0 BDAEHO COCCNC[C@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675051075 538473508 /nfs/dbraw/zinc/47/35/08/538473508.db2.gz KGACHSMWHHYVLL-KBPBESRZSA-N 1 3 240.391 1.638 10 0 BDAEHO C[C@@H]([NH2+]CC1(C)CCOCC1)[C@H]1CCCNC1 ZINC000582235690 356651961 /nfs/dbraw/zinc/65/19/61/356651961.db2.gz UZQZRQNLAIRHQQ-OLZOCXBDSA-N 1 3 240.391 1.781 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@@H](C)C1N1CCSC[C@H]1C ZINC000685951748 538895509 /nfs/dbraw/zinc/89/55/09/538895509.db2.gz XHXZOFMKODQYDJ-GMTAPVOTSA-N 1 3 228.405 1.668 10 0 BDAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+]1CCSC[C@H]1C ZINC000685951748 538895511 /nfs/dbraw/zinc/89/55/11/538895511.db2.gz XHXZOFMKODQYDJ-GMTAPVOTSA-N 1 3 228.405 1.668 10 0 BDAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+]1CCSC[C@H]1C ZINC000685951748 538895512 /nfs/dbraw/zinc/89/55/12/538895512.db2.gz XHXZOFMKODQYDJ-GMTAPVOTSA-N 1 3 228.405 1.668 10 0 BDAEHO C[C@@H]([NH2+]CC[C@H](C)CCO)[C@@H]1CCCNC1 ZINC000578994705 366689803 /nfs/dbraw/zinc/68/98/03/366689803.db2.gz KOWCNZBUUQQIOQ-YNEHKIRRSA-N 1 3 228.380 1.373 10 0 BDAEHO NC1(C[NH2+]C[C@H]2CCCCO2)CCCCC1 ZINC000042825504 181332096 /nfs/dbraw/zinc/33/20/96/181332096.db2.gz HAMMNRJEDFBBLP-GFCCVEGCSA-N 1 3 226.364 1.807 10 0 BDAEHO C[C@@H](CN(C)C)NC1=[NH+]C(C)(C)CS1 ZINC000130679142 364027988 /nfs/dbraw/zinc/02/79/88/364027988.db2.gz KZPVXDGUBCYOAO-QMMMGPOBSA-N 1 3 215.366 1.408 10 0 BDAEHO CC1CCN([C@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264551 541337520 /nfs/dbraw/zinc/33/75/20/541337520.db2.gz VIBHMFLHLRZEHD-STQMWFEESA-N 1 3 238.375 1.615 10 0 BDAEHO NCC(C[NH3+])c1c(F)cccc1Cl ZINC000071508524 181358210 /nfs/dbraw/zinc/35/82/10/181358210.db2.gz AELJDSBNEBCFQL-UHFFFAOYSA-N 1 3 202.660 1.480 10 0 BDAEHO CC(C)CCOCCN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841832 369358385 /nfs/dbraw/zinc/35/83/85/369358385.db2.gz QPKXXJWCSCLMEJ-OLZOCXBDSA-N 1 3 228.380 1.576 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@H]1CCSC1 ZINC000228558672 372047776 /nfs/dbraw/zinc/04/77/76/372047776.db2.gz IABLFSVCVAQIDC-SECBINFHSA-N 1 3 200.351 1.081 10 0 BDAEHO C(CN1CC[N@@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000246731019 374291294 /nfs/dbraw/zinc/29/12/94/374291294.db2.gz JIVMBVGQSXBTRW-AWEZNQCLSA-N 1 3 237.391 1.252 10 0 BDAEHO C(CN1CC[N@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000246731019 374291298 /nfs/dbraw/zinc/29/12/98/374291298.db2.gz JIVMBVGQSXBTRW-AWEZNQCLSA-N 1 3 237.391 1.252 10 0 BDAEHO CCCN(CCN1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000104330920 169159507 /nfs/dbraw/zinc/15/95/07/169159507.db2.gz WWUFQZRUFSLGKK-AWEZNQCLSA-N 1 3 239.407 1.546 10 0 BDAEHO CCCN1CCN(CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764207 169203156 /nfs/dbraw/zinc/20/31/56/169203156.db2.gz MTQJDXMHBSYGQJ-AWEZNQCLSA-N 1 3 239.407 1.546 10 0 BDAEHO c1cc(CCN[C@H]2CC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000049565123 183338498 /nfs/dbraw/zinc/33/84/98/183338498.db2.gz YTOBVQDSVVTULV-LSDHHAIUSA-N 1 3 245.370 1.841 10 0 BDAEHO c1cc(CCN[C@H]2CC[N@H+]3CCCC[C@H]23)ccn1 ZINC000049565123 183338503 /nfs/dbraw/zinc/33/85/03/183338503.db2.gz YTOBVQDSVVTULV-LSDHHAIUSA-N 1 3 245.370 1.841 10 0 BDAEHO CCC[NH2+]C[C@H](C)N(CCN(C)C)CC(C)C ZINC000052503264 169263819 /nfs/dbraw/zinc/26/38/19/169263819.db2.gz PQFMVIYSQZGKLQ-AWEZNQCLSA-N 1 3 243.439 1.894 10 0 BDAEHO c1ccc(CCNC[C@@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000037904440 183392874 /nfs/dbraw/zinc/39/28/74/183392874.db2.gz BUPLGMYYIJXMSH-ZDUSSCGKSA-N 1 3 245.370 1.698 10 0 BDAEHO c1ccc(CCNC[C@@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000037904440 183392877 /nfs/dbraw/zinc/39/28/77/183392877.db2.gz BUPLGMYYIJXMSH-ZDUSSCGKSA-N 1 3 245.370 1.698 10 0 BDAEHO CC[C@H]1CC[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000226745183 134371087 /nfs/dbraw/zinc/37/10/87/134371087.db2.gz AEKKJFUNZDMRPU-STQMWFEESA-N 1 3 228.380 1.733 10 0 BDAEHO C[C@H]([NH2+]CC1(O)CCCCC1)[C@H]1CCCNC1 ZINC000572593273 384176281 /nfs/dbraw/zinc/17/62/81/384176281.db2.gz ANJMYUYUYFRWCP-STQMWFEESA-N 1 3 240.391 1.659 10 0 BDAEHO C[C@H](NCC1(O)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000572593273 384176286 /nfs/dbraw/zinc/17/62/86/384176286.db2.gz ANJMYUYUYFRWCP-STQMWFEESA-N 1 3 240.391 1.659 10 0 BDAEHO C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCCNCC1 ZINC000168733272 384302926 /nfs/dbraw/zinc/30/29/26/384302926.db2.gz WJHHHPWJZFDHQP-NEPJUHHUSA-N 1 3 212.337 1.287 10 0 BDAEHO C[C@H](NC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000560970660 384428574 /nfs/dbraw/zinc/42/85/74/384428574.db2.gz KNPNAOKOCIKWMU-TUAOUCFPSA-N 1 3 212.337 1.143 10 0 BDAEHO NC[C@H]1CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000061590683 384521050 /nfs/dbraw/zinc/52/10/50/384521050.db2.gz FIYXWAYSURVQEF-ZJUUUORDSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@H]1CC[N@H+]([C@H]2CCCSC2)C1 ZINC000061590683 384521055 /nfs/dbraw/zinc/52/10/55/384521055.db2.gz FIYXWAYSURVQEF-ZJUUUORDSA-N 1 3 200.351 1.163 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000310296936 384748998 /nfs/dbraw/zinc/74/89/98/384748998.db2.gz MHPDAJAMKLSBIX-FRRDWIJNSA-N 1 3 240.391 1.610 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310296936 384749004 /nfs/dbraw/zinc/74/90/04/384749004.db2.gz MHPDAJAMKLSBIX-FRRDWIJNSA-N 1 3 240.391 1.610 10 0 BDAEHO CCSCCC[NH2+][C@@H]1CCCNCC1 ZINC000300980290 384761525 /nfs/dbraw/zinc/76/15/25/384761525.db2.gz UDKMOGLCQVRIJL-LLVKDONJSA-N 1 3 216.394 1.861 10 0 BDAEHO C[C@H](N[C@H]1CSC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000306574754 384783693 /nfs/dbraw/zinc/78/36/93/384783693.db2.gz IOLXXFCIYCGRPR-AEJSXWLSSA-N 1 3 214.378 1.468 10 0 BDAEHO C[NH2+][C@H](C)CNC(=O)c1ccc(CN(C)C)cc1 ZINC000647032438 385167938 /nfs/dbraw/zinc/16/79/38/385167938.db2.gz JTDCYSFDHJITSV-LLVKDONJSA-N 1 3 249.358 1.086 10 0 BDAEHO C[C@@H]1COC[C@H](C)N1CCCC1CC[NH2+]CC1 ZINC000647886635 386300245 /nfs/dbraw/zinc/30/02/45/386300245.db2.gz DMHIIUHMMRLCOF-BETUJISGSA-N 1 3 240.391 1.875 10 0 BDAEHO C[C@@]1(C2CC[NH2+]CC2)NCCCS1 ZINC000306893501 386520614 /nfs/dbraw/zinc/52/06/14/386520614.db2.gz JPDKALJYCQVSKR-SNVBAGLBSA-N 1 3 200.351 1.429 10 0 BDAEHO COc1cccc(F)c1[C@@H](N)CCC[NH3+] ZINC000575438630 387131527 /nfs/dbraw/zinc/13/15/27/387131527.db2.gz MJVCQNHLDGNLNJ-VIFPVBQESA-N 1 3 212.268 1.573 10 0 BDAEHO [NH3+]CCCC[C@H]([NH3+])c1ccc([O-])c(F)c1 ZINC000575439207 387121301 /nfs/dbraw/zinc/12/13/01/387121301.db2.gz PWMSVZSMSBIFNG-JTQLQIEISA-N 1 3 212.268 1.660 10 0 BDAEHO N[C@H](CCC[NH3+])c1cccc2c1OCCO2 ZINC000575438376 387129053 /nfs/dbraw/zinc/12/90/53/387129053.db2.gz JSEVSRYWLYPVJG-SNVBAGLBSA-N 1 3 222.288 1.197 10 0 BDAEHO CSC1(CN[C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400432172 387155023 /nfs/dbraw/zinc/15/50/23/387155023.db2.gz CCUYECKPFQLKSM-UWVGGRQHSA-N 1 3 214.378 1.470 10 0 BDAEHO CC(C)[C@@H](C)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000536955025 387167600 /nfs/dbraw/zinc/16/76/00/387167600.db2.gz OLUWZHNGYGQWGX-UPJWGTAASA-N 1 3 210.365 1.962 10 0 BDAEHO C[C@@H]1C[C@H]([NH3+])CN1[C@H]1CSC[C@H]1C ZINC000575590163 387203624 /nfs/dbraw/zinc/20/36/24/387203624.db2.gz GIUXMMKZRFVOAA-IMSYWVGJSA-N 1 3 200.351 1.159 10 0 BDAEHO [NH3+][C@@H]1CCN([C@@H]2CCCSCC2)C1 ZINC000575513254 387385296 /nfs/dbraw/zinc/38/52/96/387385296.db2.gz HMCOSQFOOUKMLN-NXEZZACHSA-N 1 3 200.351 1.305 10 0 BDAEHO Cc1cnn(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000123948032 387600456 /nfs/dbraw/zinc/60/04/56/387600456.db2.gz NSCJJIJRVKNILN-UONOGXRCSA-N 1 3 248.374 1.408 10 0 BDAEHO Cc1cnn(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000123948032 387600460 /nfs/dbraw/zinc/60/04/60/387600460.db2.gz NSCJJIJRVKNILN-UONOGXRCSA-N 1 3 248.374 1.408 10 0 BDAEHO C[C@@H]1CC[C@@H](NC2CC([NH3+])C2)CS1 ZINC000575535230 387574662 /nfs/dbraw/zinc/57/46/62/387574662.db2.gz RUKYQHDISYENCR-PRWFHZCQSA-N 1 3 200.351 1.350 10 0 BDAEHO C[C@@H]1CC[C@@H]([NH2+]C2CC(N)C2)CS1 ZINC000575535230 387574667 /nfs/dbraw/zinc/57/46/67/387574667.db2.gz RUKYQHDISYENCR-PRWFHZCQSA-N 1 3 200.351 1.350 10 0 BDAEHO CC(C)OCCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643480773 387942553 /nfs/dbraw/zinc/94/25/53/387942553.db2.gz FFLQMZPUPRSJNR-NWDGAFQWSA-N 1 3 214.353 1.389 10 0 BDAEHO CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000643480773 387942558 /nfs/dbraw/zinc/94/25/58/387942558.db2.gz FFLQMZPUPRSJNR-NWDGAFQWSA-N 1 3 214.353 1.389 10 0 BDAEHO C[C@H](N[C@H]1CCCOC1)[C@@H]1CCC[NH2+]C1 ZINC000520792904 256690371 /nfs/dbraw/zinc/69/03/71/256690371.db2.gz WCNDTPWLQGLLQD-TUAOUCFPSA-N 1 3 212.337 1.143 10 0 BDAEHO C[C@@H]1CN(CC2CSC2)CC[C@@H]1[NH3+] ZINC000575488495 388880972 /nfs/dbraw/zinc/88/09/72/388880972.db2.gz SMDQROCNKRCAIN-SCZZXKLOSA-N 1 3 200.351 1.019 10 0 BDAEHO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000565533643 388951459 /nfs/dbraw/zinc/95/14/59/388951459.db2.gz GDGRKGJZHOESNI-XQQFMLRXSA-N 1 3 228.380 1.371 10 0 BDAEHO CC(C)[C@@](C)(O)CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000565533643 388951463 /nfs/dbraw/zinc/95/14/63/388951463.db2.gz GDGRKGJZHOESNI-XQQFMLRXSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@@H](NCCCOCC1CC1)[C@H]1CC[NH2+]C1 ZINC000400380254 533386382 /nfs/dbraw/zinc/38/63/82/533386382.db2.gz KAILHMDGQVYTJU-YPMHNXCESA-N 1 3 226.364 1.391 10 0 BDAEHO NC(=[NH2+])CCCN1CCN(c2ccccc2)CC1 ZINC000019423264 132324984 /nfs/dbraw/zinc/32/49/84/132324984.db2.gz VBZQIMGIUKNLNW-UHFFFAOYSA-N 1 3 246.358 1.525 10 0 BDAEHO CN(C[C@H](O)C(C)(C)C)C[C@H]1CC[N@H+](C)C1 ZINC000250708675 135058079 /nfs/dbraw/zinc/05/80/79/135058079.db2.gz QRFLDTMKYYXGQU-RYUDHWBXSA-N 1 3 228.380 1.277 10 0 BDAEHO CN(C[C@H](O)C(C)(C)C)C[C@H]1CC[N@@H+](C)C1 ZINC000250708675 135058082 /nfs/dbraw/zinc/05/80/82/135058082.db2.gz QRFLDTMKYYXGQU-RYUDHWBXSA-N 1 3 228.380 1.277 10 0 BDAEHO C[C@H]1C[N@H+](CCCN2CCCC2)CC[C@H]1O ZINC000251674940 135073091 /nfs/dbraw/zinc/07/30/91/135073091.db2.gz MKSBXXWBJIAJLR-QWHCGFSZSA-N 1 3 226.364 1.175 10 0 BDAEHO C[C@H]1C[N@@H+](CCCN2CCCC2)CC[C@H]1O ZINC000251674940 135073092 /nfs/dbraw/zinc/07/30/92/135073092.db2.gz MKSBXXWBJIAJLR-QWHCGFSZSA-N 1 3 226.364 1.175 10 0 BDAEHO CCC1(CN2CCC([NH3+])CC2)CCOCC1 ZINC000261573842 135215963 /nfs/dbraw/zinc/21/59/63/135215963.db2.gz JAAQTXKLNPUKFU-UHFFFAOYSA-N 1 3 226.364 1.616 10 0 BDAEHO CCC1(C[NH+]2CCC(N)CC2)CCOCC1 ZINC000261573842 135215965 /nfs/dbraw/zinc/21/59/65/135215965.db2.gz JAAQTXKLNPUKFU-UHFFFAOYSA-N 1 3 226.364 1.616 10 0 BDAEHO C[C@H](NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H](C)c1ccccc1 ZINC000263261329 135343661 /nfs/dbraw/zinc/34/36/61/135343661.db2.gz QXWUINBXPYMCDK-DHMWGJHJSA-N 1 3 248.370 1.349 10 0 BDAEHO C1C[C@@H]([NH2+][C@@H]2CCCSCC2)CN1 ZINC000575518825 397974883 /nfs/dbraw/zinc/97/48/83/397974883.db2.gz VZDMCGLUXFCMFT-NXEZZACHSA-N 1 3 200.351 1.224 10 0 BDAEHO CC(C)[NH2+]CCC(=O)N[C@H](CN(C)C)C(C)C ZINC000049221269 167099235 /nfs/dbraw/zinc/09/92/35/167099235.db2.gz VRGVQJQVTKVFEF-GFCCVEGCSA-N 1 3 243.395 1.077 10 0 BDAEHO COC[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCNC1)OC ZINC000665235629 410727091 /nfs/dbraw/zinc/72/70/91/410727091.db2.gz XKQNYQULJLTQNP-XQQFMLRXSA-N 1 3 244.379 1.016 10 0 BDAEHO CC(C)[NH2+]CCN1CCN(C2CCCC2)CC1 ZINC000052061419 167104587 /nfs/dbraw/zinc/10/45/87/167104587.db2.gz FMEXMCDRXDSYGJ-UHFFFAOYSA-N 1 3 239.407 1.545 10 0 BDAEHO CC(C)[NH2+]C[C@@H](C)OC1CCN(C)CC1 ZINC000052596497 167110411 /nfs/dbraw/zinc/11/04/11/167110411.db2.gz MHRWMIWXIQDLJH-LLVKDONJSA-N 1 3 214.353 1.484 10 0 BDAEHO COCC1(CN[C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000656199908 411204757 /nfs/dbraw/zinc/20/47/57/411204757.db2.gz GJGLZJHTIXKAOR-QWRGUYRKSA-N 1 3 212.337 1.001 10 0 BDAEHO C[C@@H]1CN(CCCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000050952283 411269849 /nfs/dbraw/zinc/26/98/49/411269849.db2.gz JFWYGUYIMQQCRF-CHWSQXEVSA-N 1 3 240.391 1.875 10 0 BDAEHO C[C@@H](CNC[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656781977 411358875 /nfs/dbraw/zinc/35/88/75/411358875.db2.gz BKQKIJRHCFRMMZ-STQMWFEESA-N 1 3 233.359 1.774 10 0 BDAEHO C[C@@H](C[NH2+]C[C@H]1CCCNC1)c1ccccn1 ZINC000656781977 411358877 /nfs/dbraw/zinc/35/88/77/411358877.db2.gz BKQKIJRHCFRMMZ-STQMWFEESA-N 1 3 233.359 1.774 10 0 BDAEHO Cc1cnccc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000129739196 411387111 /nfs/dbraw/zinc/38/71/11/411387111.db2.gz ITYZLKHOOLOZND-YPMHNXCESA-N 1 3 219.332 1.607 10 0 BDAEHO CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CN2CCC1CC2 ZINC000104349727 169940463 /nfs/dbraw/zinc/94/04/63/169940463.db2.gz ABXIPKLIZAALNR-ZIAGYGMSSA-N 1 3 237.391 1.155 10 0 BDAEHO CCN1CCC(N(C)c2cc(C[NH3+])ccn2)CC1 ZINC000042613848 169953209 /nfs/dbraw/zinc/95/32/09/169953209.db2.gz ZUOITHJQWADFLC-UHFFFAOYSA-N 1 3 248.374 1.461 10 0 BDAEHO CCN1CCN(C[C@H]2CCC[C@H]2[NH2+]C)CC1 ZINC000053860851 169993372 /nfs/dbraw/zinc/99/33/72/169993372.db2.gz MADNISZBOGPVPV-CHWSQXEVSA-N 1 3 225.380 1.012 10 0 BDAEHO CCN1CC[C@@H](C[NH2+]CCn2ccnc2C)C1 ZINC000049330180 170007887 /nfs/dbraw/zinc/00/78/87/170007887.db2.gz DLVDKBDZMWSVJV-ZDUSSCGKSA-N 1 3 236.363 1.123 10 0 BDAEHO CC[N@@H+]1CC[C@@H](CNCCn2ccnc2C)C1 ZINC000049330180 170007888 /nfs/dbraw/zinc/00/78/88/170007888.db2.gz DLVDKBDZMWSVJV-ZDUSSCGKSA-N 1 3 236.363 1.123 10 0 BDAEHO CC[N@H+]1CC[C@@H](CNCCn2ccnc2C)C1 ZINC000049330180 170007890 /nfs/dbraw/zinc/00/78/90/170007890.db2.gz DLVDKBDZMWSVJV-ZDUSSCGKSA-N 1 3 236.363 1.123 10 0 BDAEHO CCN1CC[C@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000037643725 170015174 /nfs/dbraw/zinc/01/51/74/170015174.db2.gz PWGSLKFALVHGSU-CYBMUJFWSA-N 1 3 234.343 1.824 10 0 BDAEHO CC[NH2+]C(C)(C)CN1CCN(CC2CC2)CC1 ZINC000061299795 170107380 /nfs/dbraw/zinc/10/73/80/170107380.db2.gz YACCSTSDVNPJAB-UHFFFAOYSA-N 1 3 239.407 1.402 10 0 BDAEHO CC[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000037267482 170108540 /nfs/dbraw/zinc/10/85/40/170108540.db2.gz GINGOCXGXULKMH-UHFFFAOYSA-N 1 3 225.380 1.155 10 0 BDAEHO CC[NH2+]C[C@H]1CCCCN1CCN(C)C ZINC000053650778 170122879 /nfs/dbraw/zinc/12/28/79/170122879.db2.gz WVXWPAYTYFNVFJ-GFCCVEGCSA-N 1 3 213.369 1.012 10 0 BDAEHO CC[NH2+][C@@H](C)[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055079194 170140925 /nfs/dbraw/zinc/14/09/25/170140925.db2.gz HQBDNAVHWCVYEK-KBPBESRZSA-N 1 3 241.423 1.647 10 0 BDAEHO CC[NH2+][C@@H]1CCC[C@@H]1CN1CCCN(C)CC1 ZINC000053863875 170150871 /nfs/dbraw/zinc/15/08/71/170150871.db2.gz LZTIQRWRVUESEI-ZIAGYGMSSA-N 1 3 239.407 1.402 10 0 BDAEHO CC[NH2+][C@@H]1CCN(C2CCOCC2)[C@H](C)C1 ZINC000049711431 170151717 /nfs/dbraw/zinc/15/17/17/170151717.db2.gz KYHZMSQTLNOAJF-VXGBXAGGSA-N 1 3 226.364 1.628 10 0 BDAEHO CCN[C@@H]1CC[N@@H+](C2CCOCC2)[C@H](C)C1 ZINC000049711431 170151718 /nfs/dbraw/zinc/15/17/18/170151718.db2.gz KYHZMSQTLNOAJF-VXGBXAGGSA-N 1 3 226.364 1.628 10 0 BDAEHO CCN[C@@H]1CC[N@H+](C2CCOCC2)[C@H](C)C1 ZINC000049711431 170151719 /nfs/dbraw/zinc/15/17/19/170151719.db2.gz KYHZMSQTLNOAJF-VXGBXAGGSA-N 1 3 226.364 1.628 10 0 BDAEHO CC[C@@H]1CC[N@@H+](C2CCOCC2)C[C@H](C)CN1 ZINC000049666371 171009274 /nfs/dbraw/zinc/00/92/74/171009274.db2.gz HCRXABRWISIORL-CHWSQXEVSA-N 1 3 240.391 1.875 10 0 BDAEHO CC[C@@H]1CC[N@H+](C2CCOCC2)C[C@H](C)CN1 ZINC000049666371 171009276 /nfs/dbraw/zinc/00/92/76/171009276.db2.gz HCRXABRWISIORL-CHWSQXEVSA-N 1 3 240.391 1.875 10 0 BDAEHO CC[C@@H]1CC[C@H](C[NH3+])[C@H](N2CCN(C)CC2)C1 ZINC000037157138 171056138 /nfs/dbraw/zinc/05/61/38/171056138.db2.gz LXDFJEAQCBTDNI-MGPQQGTHSA-N 1 3 239.407 1.387 10 0 BDAEHO CC[C@@H]1CN(C[C@@H](C)C[NH2+]C(C)C)CCN1C ZINC000070073109 171085236 /nfs/dbraw/zinc/08/52/36/171085236.db2.gz JBWMITTUQJRYKX-UONOGXRCSA-N 1 3 241.423 1.647 10 0 BDAEHO CC[C@@H]1CN[C@@H](C)C[N@@H+]1C1CCN(C)CC1 ZINC000083085363 171101239 /nfs/dbraw/zinc/10/12/39/171101239.db2.gz HUVHACPWBIVYNN-NWDGAFQWSA-N 1 3 225.380 1.153 10 0 BDAEHO CC[C@@H]1CN[C@@H](C)C[N@H+]1C1CCN(C)CC1 ZINC000083085363 171101242 /nfs/dbraw/zinc/10/12/42/171101242.db2.gz HUVHACPWBIVYNN-NWDGAFQWSA-N 1 3 225.380 1.153 10 0 BDAEHO FC1(F)C[C@H]1OCCN[C@H]1CCC[NH2+]CC1 ZINC000665244895 412189883 /nfs/dbraw/zinc/18/98/83/412189883.db2.gz ZAIKLHWKZQWXDD-VHSXEESVSA-N 1 3 234.290 1.142 10 0 BDAEHO C[C@H]1CCC[C@@H](CNC2CC[NH2+]CC2)O1 ZINC000665264924 412207789 /nfs/dbraw/zinc/20/77/89/412207789.db2.gz LYFNZZHXDUIVQN-JQWIXIFHSA-N 1 3 212.337 1.286 10 0 BDAEHO C[C@H]1CCC[C@@H](C[NH2+]C2CCNCC2)O1 ZINC000665264924 412207792 /nfs/dbraw/zinc/20/77/92/412207792.db2.gz LYFNZZHXDUIVQN-JQWIXIFHSA-N 1 3 212.337 1.286 10 0 BDAEHO CC[C@]1(C[NH2+]CC[C@H]2CCCO2)CCCNC1 ZINC000062862895 171723680 /nfs/dbraw/zinc/72/36/80/171723680.db2.gz ZMWWEUIPXGMLMS-KGLIPLIRSA-N 1 3 240.391 1.925 10 0 BDAEHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H](CCO)C1 ZINC000336697139 173027894 /nfs/dbraw/zinc/02/78/94/173027894.db2.gz HVXSSAVIFAXPEG-QWHCGFSZSA-N 1 3 226.364 1.175 10 0 BDAEHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@H](CCO)C1 ZINC000336697139 173027896 /nfs/dbraw/zinc/02/78/96/173027896.db2.gz HVXSSAVIFAXPEG-QWHCGFSZSA-N 1 3 226.364 1.175 10 0 BDAEHO CN([C@H]1CCCN(C)C1)[C@@H]1CCCC[NH2+]C1 ZINC000054135151 173044915 /nfs/dbraw/zinc/04/49/15/173044915.db2.gz IGRFCTBGUKBCNN-OLZOCXBDSA-N 1 3 225.380 1.155 10 0 BDAEHO CN1CCN(C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000053861665 173084649 /nfs/dbraw/zinc/08/46/49/173084649.db2.gz ULIGJCBISDVBBF-STQMWFEESA-N 1 3 225.380 1.141 10 0 BDAEHO C[NH2+]C(C)(C)CN1CCN(C2CCCC2)CC1 ZINC000061319835 173319346 /nfs/dbraw/zinc/31/93/46/173319346.db2.gz AYBFIXAFHMFQMG-UHFFFAOYSA-N 1 3 239.407 1.545 10 0 BDAEHO C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000053664069 173338946 /nfs/dbraw/zinc/33/89/46/173338946.db2.gz CUGFKSMLJYKCPL-UHFFFAOYSA-N 1 3 205.305 1.517 10 0 BDAEHO C[NH2+]CCN(C)CCN1CCc2ccccc2C1 ZINC000077419147 173353156 /nfs/dbraw/zinc/35/31/56/173353156.db2.gz JZGMURFUXUQAIF-UHFFFAOYSA-N 1 3 247.386 1.196 10 0 BDAEHO COCCN(C[C@]1(C)CC[NH2+]C1)[C@H](C)C1CC1 ZINC000062911986 174297501 /nfs/dbraw/zinc/29/75/01/174297501.db2.gz HNTDKAHWEOYNMD-TZMCWYRMSA-N 1 3 240.391 1.733 10 0 BDAEHO COCCN([C@@H](C)COC)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042602058 174302503 /nfs/dbraw/zinc/30/25/03/174302503.db2.gz SWULTYLWHGYBCP-YNEHKIRRSA-N 1 3 244.379 1.097 10 0 BDAEHO COCC[N@@H+]1CCCN[C@@H](Cc2ccccc2)C1 ZINC000062623418 174306359 /nfs/dbraw/zinc/30/63/59/174306359.db2.gz UWMXKPJJCYJFFE-HNNXBMFYSA-N 1 3 248.370 1.539 10 0 BDAEHO COCC[N@H+]1CCCN[C@@H](Cc2ccccc2)C1 ZINC000062623418 174306361 /nfs/dbraw/zinc/30/63/61/174306361.db2.gz UWMXKPJJCYJFFE-HNNXBMFYSA-N 1 3 248.370 1.539 10 0 BDAEHO COCC[NH2+]CCCN(CCOC)CC(C)C ZINC000053499510 174332016 /nfs/dbraw/zinc/33/20/16/174332016.db2.gz DARNQCOCERMTJU-UHFFFAOYSA-N 1 3 246.395 1.217 10 0 BDAEHO COc1ccc(CN(C)C)cc1CC[NH3+] ZINC000016942249 175094673 /nfs/dbraw/zinc/09/46/73/175094673.db2.gz PTTJUWCTCHMBLY-UHFFFAOYSA-N 1 3 208.305 1.258 10 0 BDAEHO COc1cccc(CCN2CC[C@H](C[NH3+])C2)c1 ZINC000011891369 175251875 /nfs/dbraw/zinc/25/18/75/175251875.db2.gz OKJRFPZOILQEAF-CYBMUJFWSA-N 1 3 234.343 1.518 10 0 BDAEHO C[C@@H](c1cnn(C)c1)N1CCC(C[NH3+])CC1 ZINC000044512399 176037630 /nfs/dbraw/zinc/03/76/30/176037630.db2.gz AHBUXIYSXKNBTE-JTQLQIEISA-N 1 3 222.336 1.152 10 0 BDAEHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000038006210 176278763 /nfs/dbraw/zinc/27/87/63/176278763.db2.gz GHCXEMQIRXBZSB-FOGDFJRCSA-N 1 3 222.336 1.228 10 0 BDAEHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000038006212 176280165 /nfs/dbraw/zinc/28/01/65/176280165.db2.gz GHCXEMQIRXBZSB-CKYFFXLPSA-N 1 3 222.336 1.228 10 0 BDAEHO C[C@@H]1CN(CCCCCC[NH3+])C[C@@H](C)O1 ZINC000020071747 176288269 /nfs/dbraw/zinc/28/82/69/176288269.db2.gz IVZFQBOMOAPJIM-VXGBXAGGSA-N 1 3 214.353 1.615 10 0 BDAEHO C[C@@H]1C[NH+]=C(NC2CCN(C)CC2)S1 ZINC000035295408 176324471 /nfs/dbraw/zinc/32/44/71/176324471.db2.gz SJIASNSIDJVVTQ-MRVPVSSYSA-N 1 3 213.350 1.162 10 0 BDAEHO C[C@@H]1CC[N@@H+](CC2CCOCC2)CC[C@H](C)N1 ZINC000104188315 177158721 /nfs/dbraw/zinc/15/87/21/177158721.db2.gz ZJDFWVWKCVIXBB-BETUJISGSA-N 1 3 240.391 1.875 10 0 BDAEHO C[C@@H]1CC[N@H+](CC2CCOCC2)CC[C@H](C)N1 ZINC000104188315 177158722 /nfs/dbraw/zinc/15/87/22/177158722.db2.gz ZJDFWVWKCVIXBB-BETUJISGSA-N 1 3 240.391 1.875 10 0 BDAEHO C[C@H]1CNCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000044982864 177282011 /nfs/dbraw/zinc/28/20/11/177282011.db2.gz PSCCUBYPFVEFBF-STQMWFEESA-N 1 3 226.364 1.344 10 0 BDAEHO C[C@H]1CNCCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000044982864 177282013 /nfs/dbraw/zinc/28/20/13/177282013.db2.gz PSCCUBYPFVEFBF-STQMWFEESA-N 1 3 226.364 1.344 10 0 BDAEHO C[C@H](CN1CCCCC1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361769 226341699 /nfs/dbraw/zinc/34/16/99/226341699.db2.gz QHEDAYRDLOOGHW-MGPQQGTHSA-N 1 3 239.407 1.448 10 0 BDAEHO C[C@H](NC[C@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+]C1 ZINC000400552080 226346203 /nfs/dbraw/zinc/34/62/03/226346203.db2.gz YAPDZRHORVIBKC-IACUBPJLSA-N 1 3 246.354 1.578 10 0 BDAEHO CSC1(CN[C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400432176 229143818 /nfs/dbraw/zinc/14/38/18/229143818.db2.gz CCUYECKPFQLKSM-ZJUUUORDSA-N 1 3 214.378 1.470 10 0 BDAEHO CO[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000562956989 323035082 /nfs/dbraw/zinc/03/50/82/323035082.db2.gz DQTPEZOMEBKYMZ-RAIGVLPGSA-N 1 3 226.364 1.389 10 0 BDAEHO CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCNC1)C1CC1 ZINC000562956989 323035083 /nfs/dbraw/zinc/03/50/83/323035083.db2.gz DQTPEZOMEBKYMZ-RAIGVLPGSA-N 1 3 226.364 1.389 10 0 BDAEHO COCCCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000562958356 323035246 /nfs/dbraw/zinc/03/52/46/323035246.db2.gz AYMKCRWYYAUHQF-QWHCGFSZSA-N 1 3 228.380 1.781 10 0 BDAEHO C[C@H]([NH2+]C[C@@H]1CCCS1)[C@H]1CCCNC1 ZINC000573234935 326437004 /nfs/dbraw/zinc/43/70/04/326437004.db2.gz WWVJRWSUGYAQFC-SRVKXCTJSA-N 1 3 228.405 1.860 10 0 BDAEHO COC[C@H](C)NCC[C@@H]1CCCC[N@@H+]1C ZINC000049799933 488027413 /nfs/dbraw/zinc/02/74/13/488027413.db2.gz JBUFIYIOIDQKNW-RYUDHWBXSA-N 1 3 214.353 1.485 10 0 BDAEHO COC[C@H](C)NCC[C@@H]1CCCC[N@H+]1C ZINC000049799933 488027418 /nfs/dbraw/zinc/02/74/18/488027418.db2.gz JBUFIYIOIDQKNW-RYUDHWBXSA-N 1 3 214.353 1.485 10 0 BDAEHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000084216155 488037389 /nfs/dbraw/zinc/03/73/89/488037389.db2.gz IBSRATGDTRWXRI-RNJOBUHISA-N 1 3 226.364 1.397 10 0 BDAEHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000084216351 488037822 /nfs/dbraw/zinc/03/78/22/488037822.db2.gz MIHCVYPIPSIDOL-AVGNSLFASA-N 1 3 226.364 1.663 10 0 BDAEHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C1 ZINC000222962128 488138443 /nfs/dbraw/zinc/13/84/43/488138443.db2.gz HKYDZCQMQKBYBU-WRWGMCAJSA-N 1 3 212.337 1.149 10 0 BDAEHO COCC[C@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC000757133745 582509772 /nfs/dbraw/zinc/50/97/72/582509772.db2.gz UBXGLMPGVVJKSP-QWHCGFSZSA-N 1 3 226.364 1.629 10 0 BDAEHO COCC[C@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC000757133745 582509774 /nfs/dbraw/zinc/50/97/74/582509774.db2.gz UBXGLMPGVVJKSP-QWHCGFSZSA-N 1 3 226.364 1.629 10 0 BDAEHO C[C@H]1CC(C)(C)OC2(CCN(C)CC2)[NH2+]1 ZINC000757142790 582522768 /nfs/dbraw/zinc/52/27/68/582522768.db2.gz DKUILACXWNCQKS-JTQLQIEISA-N 1 3 212.337 1.585 10 0 BDAEHO C1CCC2(CC1)CCOC1(CCNCC1)[NH2+]2 ZINC000757153512 582538106 /nfs/dbraw/zinc/53/81/06/582538106.db2.gz WSEFTRXZSJEMIV-UHFFFAOYSA-N 1 3 224.348 1.779 10 0 BDAEHO C[C@H](NCCOC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000400432965 533860569 /nfs/dbraw/zinc/86/05/69/533860569.db2.gz LSPAABRXRKLFRU-JGVFFNPUSA-N 1 3 226.242 1.110 10 0 BDAEHO CS[C@H](C)CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400466439 534060514 /nfs/dbraw/zinc/06/05/14/534060514.db2.gz WDQDFRSBTLUILK-UTLUCORTSA-N 1 3 202.367 1.326 10 0 BDAEHO CC(C)OCCCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400360020 527949888 /nfs/dbraw/zinc/94/98/88/527949888.db2.gz NJDLSCKXHRWOPG-NEPJUHHUSA-N 1 3 214.353 1.389 10 0 BDAEHO CC(C)C[C@H](CN(C)C)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400353311 528502548 /nfs/dbraw/zinc/50/25/48/528502548.db2.gz LCFDAWWGMOUGBL-MGPQQGTHSA-N 1 3 241.423 1.550 10 0 BDAEHO CCN1CCC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400335877 529092674 /nfs/dbraw/zinc/09/26/74/529092674.db2.gz ABUVVNMSMIYJJS-AVGNSLFASA-N 1 3 225.380 1.201 10 0 BDAEHO CC[C@H](C[NH2+][C@@H]1CCNC1)CC(F)(F)F ZINC000402698965 529369705 /nfs/dbraw/zinc/36/97/05/529369705.db2.gz RHRPICVSZIGAFQ-DTWKUNHWSA-N 1 3 224.270 1.917 10 0 BDAEHO N[C@@H]1C[C@@]2(CCC[NH2+]C2)Oc2ccccc21 ZINC000212667452 566362395 /nfs/dbraw/zinc/36/23/95/566362395.db2.gz BGSMZNCEEBTSQO-DGCLKSJQSA-N 1 3 218.300 1.591 10 0 BDAEHO C[C@H]1C[NH2+]C[C@]2(CCCN2CC2CC2)C1 ZINC000757135114 582514119 /nfs/dbraw/zinc/51/41/19/582514119.db2.gz YVOWYHYXNWAPAQ-YPMHNXCESA-N 1 3 208.349 1.860 10 0 BDAEHO C[C@H]1CNC[C@]2(CCC[N@@H+]2CC2CC2)C1 ZINC000757135114 582514120 /nfs/dbraw/zinc/51/41/20/582514120.db2.gz YVOWYHYXNWAPAQ-YPMHNXCESA-N 1 3 208.349 1.860 10 0 BDAEHO C[C@H]1CNC[C@]2(CCC[N@H+]2CC2CC2)C1 ZINC000757135114 582514122 /nfs/dbraw/zinc/51/41/22/582514122.db2.gz YVOWYHYXNWAPAQ-YPMHNXCESA-N 1 3 208.349 1.860 10 0 BDAEHO CCN1CCC2(CC1)[NH2+][C@H](C)C[C@H](C)O2 ZINC000757145012 582526617 /nfs/dbraw/zinc/52/66/17/582526617.db2.gz HOTMWNWISZHZAK-MNOVXSKESA-N 1 3 212.337 1.585 10 0 BDAEHO CC(=O)c1ccc([C@H]2C[NH2+]C[C@H](CN)C2)cc1 ZINC000757214193 582560936 /nfs/dbraw/zinc/56/09/36/582560936.db2.gz LNCOSNKVFZMPIU-SMDDNHRTSA-N 1 3 232.327 1.541 10 0 BDAEHO CC(=O)c1ccc([C@H]2CNC[C@H](C[NH3+])C2)cc1 ZINC000757214193 582560937 /nfs/dbraw/zinc/56/09/37/582560937.db2.gz LNCOSNKVFZMPIU-SMDDNHRTSA-N 1 3 232.327 1.541 10 0 BDAEHO C[C@H]1CN2C(=N1)N=CC=C2[C@@H]1CCC[NH2+]C1 ZINC000235697563 583210466 /nfs/dbraw/zinc/21/04/66/583210466.db2.gz WMHSDAPIAFKQMB-VHSXEESVSA-N 1 3 218.304 1.014 10 0 BDAEHO COC(=O)[C@@H]1CCN[C@H](c2cccc(C[NH3+])c2)C1 ZINC000757210835 586439099 /nfs/dbraw/zinc/43/90/99/586439099.db2.gz HLIGWGRKOWWAEH-OLZOCXBDSA-N 1 3 248.326 1.359 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1CC[C@@H](N)C[NH2+]1 ZINC000757236248 586443865 /nfs/dbraw/zinc/44/38/65/586443865.db2.gz NSAOPYPCUNZMRL-PWSUYJOCSA-N 1 3 205.305 1.329 10 0 BDAEHO CO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN(C)C)C12CCC2 ZINC000308361988 631306334 /nfs/dbraw/zinc/30/63/34/631306334.db2.gz HRKKHNVUDYPTBH-FRRDWIJNSA-N 1 3 240.391 1.731 10 0 BDAEHO Cc1ccc(N)cc1[C@H]1NCCC[C@@H]1C[NH3+] ZINC000757236367 643372393 /nfs/dbraw/zinc/37/23/93/643372393.db2.gz OJKAUUDKDVIIHE-MFKMUULPSA-N 1 3 219.332 1.577 10 0 BDAEHO COCC1CC([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000714004595 712476843 /nfs/dbraw/zinc/47/68/43/712476843.db2.gz DAQNDAJZPDFTDA-POSLAHMBSA-N 1 3 212.337 1.128 10 0 BDAEHO NC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720788260 712865140 /nfs/dbraw/zinc/86/51/40/712865140.db2.gz IUZIJSBIPIDZJG-ZDEQEGDKSA-N 1 3 224.348 1.367 10 0 BDAEHO NC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720788260 712865142 /nfs/dbraw/zinc/86/51/42/712865142.db2.gz IUZIJSBIPIDZJG-ZDEQEGDKSA-N 1 3 224.348 1.367 10 0 BDAEHO C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722316863 711735207 /nfs/dbraw/zinc/73/52/07/711735207.db2.gz UXSXKJJUCIBWFP-RDBSUJKOSA-N 1 3 238.375 1.676 10 0 BDAEHO C[C@H](NC[C@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]C1 ZINC000717628227 712661987 /nfs/dbraw/zinc/66/19/87/712661987.db2.gz VOQYHJXSPGKDSN-RWMBFGLXSA-N 1 3 240.391 1.779 10 0 BDAEHO CCCN1CC[C@@H]([NH3+])[C@@]12CCCSC2 ZINC000685955225 538900633 /nfs/dbraw/zinc/90/06/33/538900633.db2.gz WJEVZOCOEZQWOT-MNOVXSKESA-N 1 3 214.378 1.695 10 0 BDAEHO N[C@@H]1CCC[C@]2(c3ccccc3)C[NH2+]C[C@H]12 ZINC000685958448 538906170 /nfs/dbraw/zinc/90/61/70/538906170.db2.gz NTNVBKLXXXJSTC-MGPQQGTHSA-N 1 3 216.328 1.655 10 0 BDAEHO CCC(CC)(CN)[N@@H+]1CCCN(C)CC1 ZINC000020217743 168323069 /nfs/dbraw/zinc/32/30/69/168323069.db2.gz BIKMEHXLYGMZJN-UHFFFAOYSA-N 1 3 213.369 1.141 10 0 BDAEHO CCC(CC)(CN)[N@H+]1CCCN(C)CC1 ZINC000020217743 168323070 /nfs/dbraw/zinc/32/30/70/168323070.db2.gz BIKMEHXLYGMZJN-UHFFFAOYSA-N 1 3 213.369 1.141 10 0 BDAEHO C[C@@]1(C[NH2+][C@@H]2CCCNCC2)CCOC1 ZINC000335034381 136214785 /nfs/dbraw/zinc/21/47/85/136214785.db2.gz QUPVPBHVJDPPHK-NEPJUHHUSA-N 1 3 212.337 1.145 10 0 BDAEHO C[C@H](N)[C@H](C)[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000306789003 398200791 /nfs/dbraw/zinc/20/07/91/398200791.db2.gz SQYZLRCNIGQINB-AXTSPUMRSA-N 1 3 202.367 1.548 10 0 BDAEHO C[C@H](N)[C@H](C)[N@H+]1CCS[C@H](C)[C@H]1C ZINC000306789003 398200792 /nfs/dbraw/zinc/20/07/92/398200792.db2.gz SQYZLRCNIGQINB-AXTSPUMRSA-N 1 3 202.367 1.548 10 0 BDAEHO C[C@H](N)[C@H](C)[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000306789005 398200844 /nfs/dbraw/zinc/20/08/44/398200844.db2.gz SQYZLRCNIGQINB-XKNYDFJKSA-N 1 3 202.367 1.548 10 0 BDAEHO C[C@H](N)[C@H](C)[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000306789005 398200845 /nfs/dbraw/zinc/20/08/45/398200845.db2.gz SQYZLRCNIGQINB-XKNYDFJKSA-N 1 3 202.367 1.548 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H]1CCCNC1 ZINC000576458614 365601698 /nfs/dbraw/zinc/60/16/98/365601698.db2.gz SXFIXMMQSDXOHE-UMSGYPCISA-N 1 3 226.364 1.268 10 0 BDAEHO C[C@H](N[C@@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000576458614 365601705 /nfs/dbraw/zinc/60/17/05/365601705.db2.gz SXFIXMMQSDXOHE-UMSGYPCISA-N 1 3 226.364 1.268 10 0 BDAEHO C[C@H]1OCC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000378763264 346828497 /nfs/dbraw/zinc/82/84/97/346828497.db2.gz BWICRPDCUDVSFF-IJLUTSLNSA-N 1 3 212.337 1.238 10 0 BDAEHO C[C@H]1OCC[C@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000378763264 346828502 /nfs/dbraw/zinc/82/85/02/346828502.db2.gz BWICRPDCUDVSFF-IJLUTSLNSA-N 1 3 212.337 1.238 10 0 BDAEHO C[C@H]1OCC[C@H]1NCC[C@H]1CCC[N@H+]1C ZINC000378763264 346828507 /nfs/dbraw/zinc/82/85/07/346828507.db2.gz BWICRPDCUDVSFF-IJLUTSLNSA-N 1 3 212.337 1.238 10 0 BDAEHO CCC(CC)[NH2+]CCN1CCC[C@H]1CN(C)C ZINC000061655174 168388261 /nfs/dbraw/zinc/38/82/61/168388261.db2.gz VRVWISPJWXMRMU-AWEZNQCLSA-N 1 3 241.423 1.791 10 0 BDAEHO Cc1ccc(C[NH2+]CCCNCCO)s1 ZINC000013732674 342870885 /nfs/dbraw/zinc/87/08/85/342870885.db2.gz TVYDBQSEDRTWRP-UHFFFAOYSA-N 1 3 228.361 1.118 10 0 BDAEHO c1ccc(C2=NCCN2C2CC[NH2+]CC2)cc1 ZINC000142035503 343103613 /nfs/dbraw/zinc/10/36/13/343103613.db2.gz VNPBPJCBFYLXTH-UHFFFAOYSA-N 1 3 229.327 1.501 10 0 BDAEHO CC1(C)COC[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000313015179 343732597 /nfs/dbraw/zinc/73/25/97/343732597.db2.gz FHUXZWYBJABPIE-QWRGUYRKSA-N 1 3 212.337 1.143 10 0 BDAEHO NC[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000044528010 343781375 /nfs/dbraw/zinc/78/13/75/343781375.db2.gz OXMDQHSBSBQRPV-GFCCVEGCSA-N 1 3 230.355 1.825 10 0 BDAEHO NC[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000044528010 343781378 /nfs/dbraw/zinc/78/13/78/343781378.db2.gz OXMDQHSBSBQRPV-GFCCVEGCSA-N 1 3 230.355 1.825 10 0 BDAEHO [NH3+]C[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000044528010 343781380 /nfs/dbraw/zinc/78/13/80/343781380.db2.gz OXMDQHSBSBQRPV-GFCCVEGCSA-N 1 3 230.355 1.825 10 0 BDAEHO [NH3+]CCCN1C[C@@H]2CCC(F)(F)[C@@H]2C1 ZINC000409433109 343826649 /nfs/dbraw/zinc/82/66/49/343826649.db2.gz XJCCDWVBOGRTHB-DTWKUNHWSA-N 1 3 204.264 1.312 10 0 BDAEHO [NH3+]C[C@@]12CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000409430130 343807563 /nfs/dbraw/zinc/80/75/63/343807563.db2.gz LIIHLGGEVZMUBJ-ZIAGYGMSSA-N 1 3 216.328 1.857 10 0 BDAEHO NC[C@@]12CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000409430130 343807565 /nfs/dbraw/zinc/80/75/65/343807565.db2.gz LIIHLGGEVZMUBJ-ZIAGYGMSSA-N 1 3 216.328 1.857 10 0 BDAEHO NC[C@@]12CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000409430130 343807567 /nfs/dbraw/zinc/80/75/67/343807567.db2.gz LIIHLGGEVZMUBJ-ZIAGYGMSSA-N 1 3 216.328 1.857 10 0 BDAEHO C[C@H](CC[NH3+])N1CCSC(C)(C)C1 ZINC000135210426 343967322 /nfs/dbraw/zinc/96/73/22/343967322.db2.gz KYRKYRNSFBRGIA-SECBINFHSA-N 1 3 202.367 1.551 10 0 BDAEHO COC(=O)CCCC[N@H+](C)[C@H]1CCCNCC1 ZINC000600706009 344360258 /nfs/dbraw/zinc/36/02/58/344360258.db2.gz BZRMVAZPVNNALD-LBPRGKRZSA-N 1 3 242.363 1.404 10 0 BDAEHO COC(=O)CCCC[N@@H+](C)[C@H]1CCCNCC1 ZINC000600706009 344360261 /nfs/dbraw/zinc/36/02/61/344360261.db2.gz BZRMVAZPVNNALD-LBPRGKRZSA-N 1 3 242.363 1.404 10 0 BDAEHO C1=CC[N@H+](CC[C@@H]2CSCCN2)CC1 ZINC000166124873 344742427 /nfs/dbraw/zinc/74/24/27/344742427.db2.gz BYGUNHNGBNAJHY-LLVKDONJSA-N 1 3 212.362 1.343 10 0 BDAEHO C1=CC[N@@H+](CC[C@@H]2CSCCN2)CC1 ZINC000166124873 344742430 /nfs/dbraw/zinc/74/24/30/344742430.db2.gz BYGUNHNGBNAJHY-LLVKDONJSA-N 1 3 212.362 1.343 10 0 BDAEHO CC[NH2+]C[C@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC000248253509 345092605 /nfs/dbraw/zinc/09/26/05/345092605.db2.gz NDTHGBXTJCOSAV-HUUCEWRRSA-N 1 3 248.370 1.479 10 0 BDAEHO CCC[C@H](CCO)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000635006074 345210453 /nfs/dbraw/zinc/21/04/53/345210453.db2.gz XHXXUCILHQWPIQ-QJPTWQEYSA-N 1 3 214.353 1.125 10 0 BDAEHO [NH3+][C@H]1CC[C@H](NCC(=O)c2cccs2)CC1 ZINC000257353642 345774530 /nfs/dbraw/zinc/77/45/30/345774530.db2.gz SGLJTTMBSZYKFG-MGCOHNPYSA-N 1 3 238.356 1.790 10 0 BDAEHO C[C@@H]1CCCCN1Cc1cncc(C[NH3+])c1 ZINC000669378987 537974624 /nfs/dbraw/zinc/97/46/24/537974624.db2.gz RNLWHPKACLZYHY-LLVKDONJSA-N 1 3 219.332 1.915 10 0 BDAEHO Cc1cccc([C@@H](C[NH3+])N(C)CCN(C)C)c1 ZINC000041268355 179184509 /nfs/dbraw/zinc/18/45/09/179184509.db2.gz XPMGBGKROUQEFN-CQSZACIVSA-N 1 3 235.375 1.488 10 0 BDAEHO CCCC[C@H](CC)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000309839847 347183108 /nfs/dbraw/zinc/18/31/08/347183108.db2.gz ODPSDEUWSJJRNF-SDDRHHMPSA-N 1 3 214.353 1.125 10 0 BDAEHO CCCC[C@H](CC)[NH2+]C[C@@H]1CNC[C@H]1O ZINC000309839847 347183110 /nfs/dbraw/zinc/18/31/10/347183110.db2.gz ODPSDEUWSJJRNF-SDDRHHMPSA-N 1 3 214.353 1.125 10 0 BDAEHO C[C@H]([NH3+])CCN1CCS[C@@H](C)[C@@H]1C ZINC000222023537 349988281 /nfs/dbraw/zinc/98/82/81/349988281.db2.gz LEAFAGPQWYQDML-GUBZILKMSA-N 1 3 202.367 1.550 10 0 BDAEHO C[C@H](C[NH3+])[C@@H](C)N1CCSC[C@@H]1C ZINC000222159865 350128694 /nfs/dbraw/zinc/12/86/94/350128694.db2.gz ULTHJTTVIOSKEX-KXUCPTDWSA-N 1 3 202.367 1.407 10 0 BDAEHO Cc1nccn1CC[NH2+]CC(C)(C)CN(C)C ZINC000049329762 180260865 /nfs/dbraw/zinc/26/08/65/180260865.db2.gz FCZRRRWETGTMJJ-UHFFFAOYSA-N 1 3 238.379 1.369 10 0 BDAEHO Cc1nn(C)c(C)c1C[NH2+][C@H](C)CCN(C)C ZINC000049553566 180341822 /nfs/dbraw/zinc/34/18/22/180341822.db2.gz DERLIXGILWFWLR-SNVBAGLBSA-N 1 3 238.379 1.467 10 0 BDAEHO NCc1ccc(C2=CC[C@@]3(C[C@@H]3[NH3+])CC2)nc1F ZINC000725265258 538091696 /nfs/dbraw/zinc/09/16/96/538091696.db2.gz VAQISBMZIHBVAI-JSGCOSHPSA-N 1 3 247.317 1.964 10 0 BDAEHO C([C@H]1CC[NH2+]C1)N1CCCSCC1 ZINC000051890059 350542740 /nfs/dbraw/zinc/54/27/40/350542740.db2.gz RTBHXZRKTIKJTA-JTQLQIEISA-N 1 3 200.351 1.035 10 0 BDAEHO COC1(C)CC[NH+]([C@@H](C)[C@@H](C)N)CC1 ZINC000306803351 351057843 /nfs/dbraw/zinc/05/78/43/351057843.db2.gz AHENBRRGQBGHPT-ZJUUUORDSA-N 1 3 200.326 1.223 10 0 BDAEHO C[NH2+]C[C@H]1CCN([C@@H]2CSC2(C)C)C1 ZINC000307147500 351500451 /nfs/dbraw/zinc/50/04/51/351500451.db2.gz IBIVVSRILBBTMQ-NXEZZACHSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@H]1CSC[C@@H]1N(C)C1CC([NH3+])C1 ZINC000307245320 351753259 /nfs/dbraw/zinc/75/32/59/351753259.db2.gz VQHOPXYJRQQHJT-NFTFJBJSSA-N 1 3 200.351 1.159 10 0 BDAEHO C[C@@H]1CSC[C@@H]1N(C)C1CC([NH3+])C1 ZINC000307245326 351753296 /nfs/dbraw/zinc/75/32/96/351753296.db2.gz VQHOPXYJRQQHJT-WOOKNIGNSA-N 1 3 200.351 1.159 10 0 BDAEHO FC1(F)CC[C@@H](NC[C@H]2CC[NH2+]C2)C1 ZINC000307286739 351850204 /nfs/dbraw/zinc/85/02/04/351850204.db2.gz RWTRBGHJNHBQJO-DTWKUNHWSA-N 1 3 204.264 1.373 10 0 BDAEHO C[C@H]1SCC[C@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000307329731 352031460 /nfs/dbraw/zinc/03/14/60/352031460.db2.gz XIKNKVPOIXBECT-CHWFTXMASA-N 1 3 214.378 1.468 10 0 BDAEHO CC(C)N1CCN(C2(C[NH3+])CCCCC2)CC1 ZINC000036170852 188112158 /nfs/dbraw/zinc/11/21/58/188112158.db2.gz BYXLODONBOMCFN-UHFFFAOYSA-N 1 3 239.407 1.674 10 0 BDAEHO C1C[NH2+][C@H]([C@@H]2CCCN(C3CCOCC3)C2)C1 ZINC000037916572 188115294 /nfs/dbraw/zinc/11/52/94/188115294.db2.gz PBTCLTWLCMQYDC-OCCSQVGLSA-N 1 3 238.375 1.629 10 0 BDAEHO CC(C)[C@H](N)C[N@@H+]1CCCSCC1 ZINC000042444876 188120078 /nfs/dbraw/zinc/12/00/78/188120078.db2.gz TXWCIAFSQVRKLS-SNVBAGLBSA-N 1 3 202.367 1.409 10 0 BDAEHO CC(C)[C@H](N)C[N@H+]1CCCSCC1 ZINC000042444876 188120080 /nfs/dbraw/zinc/12/00/80/188120080.db2.gz TXWCIAFSQVRKLS-SNVBAGLBSA-N 1 3 202.367 1.409 10 0 BDAEHO c1ccc2c(c1)CN([C@@H]1CC[NH2+]C1)C=N2 ZINC000095082135 188144972 /nfs/dbraw/zinc/14/49/72/188144972.db2.gz PCRZVTQUCCNQDX-LLVKDONJSA-N 1 3 201.273 1.524 10 0 BDAEHO CC(C)C[C@@](C)(CN)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061643058 188128153 /nfs/dbraw/zinc/12/81/53/188128153.db2.gz RDWLQWMDVKMART-KGLIPLIRSA-N 1 3 241.423 1.776 10 0 BDAEHO CC(C)C[C@@](C)(CN)[N@H+]1CCC[C@@H]1CN(C)C ZINC000061643058 188128154 /nfs/dbraw/zinc/12/81/54/188128154.db2.gz RDWLQWMDVKMART-KGLIPLIRSA-N 1 3 241.423 1.776 10 0 BDAEHO C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CSCCS1 ZINC000229587205 188159307 /nfs/dbraw/zinc/15/93/07/188159307.db2.gz NCYIWJMVJRIQCW-MNOVXSKESA-N 1 3 246.445 1.567 10 0 BDAEHO C([NH2+][C@@H]1CCCNCC1)[C@H]1CSCCS1 ZINC000229587205 188159308 /nfs/dbraw/zinc/15/93/08/188159308.db2.gz NCYIWJMVJRIQCW-MNOVXSKESA-N 1 3 246.445 1.567 10 0 BDAEHO C[C@H]([NH3+])c1cccc(OCCN(C)C)c1 ZINC000022169198 363211237 /nfs/dbraw/zinc/21/12/37/363211237.db2.gz DESQUQJVIHLQJU-JTQLQIEISA-N 1 3 208.305 1.647 10 0 BDAEHO NC[C@@H]1CC[N@H+](C[C@H]2CCCS2)C1 ZINC000252495074 363447736 /nfs/dbraw/zinc/44/77/36/363447736.db2.gz ALIYTBPOPSNXEQ-VHSXEESVSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@@H]1CC[N@@H+](C[C@H]2CCCS2)C1 ZINC000252495074 363447741 /nfs/dbraw/zinc/44/77/41/363447741.db2.gz ALIYTBPOPSNXEQ-VHSXEESVSA-N 1 3 200.351 1.163 10 0 BDAEHO NC(=[NH2+])CCCN(CCO)Cc1ccccc1 ZINC000050514486 181187141 /nfs/dbraw/zinc/18/71/41/181187141.db2.gz DNCKNRKHWZLXTP-UHFFFAOYSA-N 1 3 235.331 1.197 10 0 BDAEHO CC1CCN(Cc2c(C[NH3+])cnn2C)CC1 ZINC000675056931 538479475 /nfs/dbraw/zinc/47/94/75/538479475.db2.gz ZDFOYIMKHFMWQH-UHFFFAOYSA-N 1 3 222.336 1.111 10 0 BDAEHO C[C@H]1C[C@H](C)CN(Cc2c(C[NH3+])cnn2C)C1 ZINC000675056926 538479509 /nfs/dbraw/zinc/47/95/09/538479509.db2.gz ZCPIPWXDXZFFRV-QWRGUYRKSA-N 1 3 236.363 1.357 10 0 BDAEHO COC[C@@H]1CC[N@@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685951404 538895058 /nfs/dbraw/zinc/89/50/58/538895058.db2.gz SQWHUIKGYQMCLR-XQHKEYJVSA-N 1 3 226.364 1.199 10 0 BDAEHO COC[C@@H]1CC[N@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685951404 538895060 /nfs/dbraw/zinc/89/50/60/538895060.db2.gz SQWHUIKGYQMCLR-XQHKEYJVSA-N 1 3 226.364 1.199 10 0 BDAEHO CN(C)CCOC1(c2ccccc2)CC[NH2+]CC1 ZINC000584601877 358259604 /nfs/dbraw/zinc/25/96/04/358259604.db2.gz QTKYAMUMVDWAGY-UHFFFAOYSA-N 1 3 248.370 1.844 10 0 BDAEHO C[C@@H]1C[C@@H]([NH3+])CCN1[C@H]1CCSC1 ZINC000252689742 366412620 /nfs/dbraw/zinc/41/26/20/366412620.db2.gz SAYLLDLONJIPQJ-UTLUCORTSA-N 1 3 200.351 1.304 10 0 BDAEHO CCCN1CC[C@@H](C[NH2+]CC(C)(C)O)C1 ZINC000578316277 366500186 /nfs/dbraw/zinc/50/01/86/366500186.db2.gz UYBGBUFJYHHTGK-NSHDSACASA-N 1 3 214.353 1.079 10 0 BDAEHO CCC[N@@H+]1CC[C@@H](CNCC(C)(C)O)C1 ZINC000578316277 366500191 /nfs/dbraw/zinc/50/01/91/366500191.db2.gz UYBGBUFJYHHTGK-NSHDSACASA-N 1 3 214.353 1.079 10 0 BDAEHO CCC[N@H+]1CC[C@@H](CNCC(C)(C)O)C1 ZINC000578316277 366500195 /nfs/dbraw/zinc/50/01/95/366500195.db2.gz UYBGBUFJYHHTGK-NSHDSACASA-N 1 3 214.353 1.079 10 0 BDAEHO C1C[C@H](N[C@H]2CCC[NH2+]CC2)CS1 ZINC000231347025 359859845 /nfs/dbraw/zinc/85/98/45/359859845.db2.gz LZWRIFCEMDEFLV-UWVGGRQHSA-N 1 3 200.351 1.224 10 0 BDAEHO C1C[C@H]([NH2+][C@H]2CCCNCC2)CS1 ZINC000231347025 359859848 /nfs/dbraw/zinc/85/98/48/359859848.db2.gz LZWRIFCEMDEFLV-UWVGGRQHSA-N 1 3 200.351 1.224 10 0 BDAEHO C[C@@H](CCN)[N@@H+]1CCCOC(C)(C)C1 ZINC000306471752 360098244 /nfs/dbraw/zinc/09/82/44/360098244.db2.gz SEPPGQWOBYJCGB-JTQLQIEISA-N 1 3 200.326 1.225 10 0 BDAEHO C[C@@H](CCN)[N@H+]1CCCOC(C)(C)C1 ZINC000306471752 360098248 /nfs/dbraw/zinc/09/82/48/360098248.db2.gz SEPPGQWOBYJCGB-JTQLQIEISA-N 1 3 200.326 1.225 10 0 BDAEHO C[C@@H](CC[NH3+])N1CCCOC(C)(C)C1 ZINC000306471752 360098250 /nfs/dbraw/zinc/09/82/50/360098250.db2.gz SEPPGQWOBYJCGB-JTQLQIEISA-N 1 3 200.326 1.225 10 0 BDAEHO C[C@@H]1SCC[C@H]1[NH2+]C1CCNCC1 ZINC000306489451 360179156 /nfs/dbraw/zinc/17/91/56/360179156.db2.gz LMJANJNMQRYJTC-WCBMZHEXSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@@H]1SCC[C@H]1NC1CC[NH2+]CC1 ZINC000306489451 360179160 /nfs/dbraw/zinc/17/91/60/360179160.db2.gz LMJANJNMQRYJTC-WCBMZHEXSA-N 1 3 200.351 1.222 10 0 BDAEHO [NH3+]C1CCC(CNCc2ccco2)CC1 ZINC000040407754 181341767 /nfs/dbraw/zinc/34/17/67/181341767.db2.gz XXMFJYDYNNPMQC-UHFFFAOYSA-N 1 3 208.305 1.887 10 0 BDAEHO C[C@H]([C@@H](C)CN)[N@@H+]1CCCO[C@H](C)C1 ZINC000252588210 363909882 /nfs/dbraw/zinc/90/98/82/363909882.db2.gz AUEMVAHQZVYDMA-HBNTYKKESA-N 1 3 200.326 1.081 10 0 BDAEHO C[C@H]([C@@H](C)CN)[N@H+]1CCCO[C@H](C)C1 ZINC000252588210 363909886 /nfs/dbraw/zinc/90/98/86/363909886.db2.gz AUEMVAHQZVYDMA-HBNTYKKESA-N 1 3 200.326 1.081 10 0 BDAEHO C[C@H]([C@@H](C)C[NH3+])N1CCCO[C@H](C)C1 ZINC000252588210 363909893 /nfs/dbraw/zinc/90/98/93/363909893.db2.gz AUEMVAHQZVYDMA-HBNTYKKESA-N 1 3 200.326 1.081 10 0 BDAEHO CO[C@@H]1CN(CCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630356694 364078043 /nfs/dbraw/zinc/07/80/43/364078043.db2.gz TVWSCADFCNKHTD-NWDGAFQWSA-N 1 3 214.353 1.471 10 0 BDAEHO CO[C@@H]1CN(C[C@@H]2C[C@H]3C[C@H]3C2)[C@](C)(C[NH3+])C1 ZINC000630366756 364086452 /nfs/dbraw/zinc/08/64/52/364086452.db2.gz LOZOKFSGMGGVHN-NDKCEZKHSA-N 1 3 238.375 1.471 10 0 BDAEHO [NH3+]CCN[C@H]1CCCN(Cc2ccccc2)C1 ZINC000037712739 364543900 /nfs/dbraw/zinc/54/39/00/364543900.db2.gz XZFZZKSQVNTABY-AWEZNQCLSA-N 1 3 233.359 1.199 10 0 BDAEHO C[C@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H]1CCCNC1 ZINC000581661074 367661117 /nfs/dbraw/zinc/66/11/17/367661117.db2.gz JAWFUAKRVNVRTO-KXNHARMFSA-N 1 3 228.405 1.716 10 0 BDAEHO C[C@H]([NH2+][C@H]1CSC[C@H]1C)[C@H]1CCCNC1 ZINC000581661075 367661627 /nfs/dbraw/zinc/66/16/27/367661627.db2.gz JAWFUAKRVNVRTO-RHYQMDGZSA-N 1 3 228.405 1.716 10 0 BDAEHO C[C@H]([NH3+])CCN1CCS[C@H](C)[C@H]1C ZINC000253068887 368444421 /nfs/dbraw/zinc/44/44/21/368444421.db2.gz LEAFAGPQWYQDML-IVZWLZJFSA-N 1 3 202.367 1.550 10 0 BDAEHO C[C@H]1SCC[N@H+](CC2(N)CC2)[C@@H]1C ZINC000132489224 371835643 /nfs/dbraw/zinc/83/56/43/371835643.db2.gz NTNNFRURRBHVQK-RKDXNWHRSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@H]1SCC[N@@H+](CC2(N)CC2)[C@@H]1C ZINC000132489224 371835646 /nfs/dbraw/zinc/83/56/46/371835646.db2.gz NTNNFRURRBHVQK-RKDXNWHRSA-N 1 3 200.351 1.304 10 0 BDAEHO CC[C@H]1C[N@@H+](C2(CN)CCC2)CCS1 ZINC000132960668 371958342 /nfs/dbraw/zinc/95/83/42/371958342.db2.gz JYPMFZSQVMWZOQ-JTQLQIEISA-N 1 3 214.378 1.695 10 0 BDAEHO CC[C@H]1C[N@H+](C2(CN)CCC2)CCS1 ZINC000132960668 371958349 /nfs/dbraw/zinc/95/83/49/371958349.db2.gz JYPMFZSQVMWZOQ-JTQLQIEISA-N 1 3 214.378 1.695 10 0 BDAEHO C[C@H]1C[N@H+](CCCCCF)C[C@@H]1CN ZINC000631838484 372630752 /nfs/dbraw/zinc/63/07/52/372630752.db2.gz PFPMQWALAUBUAM-QWRGUYRKSA-N 1 3 202.317 1.653 10 0 BDAEHO C[C@H]1C[N@@H+](CCCCCF)C[C@@H]1CN ZINC000631838484 372630758 /nfs/dbraw/zinc/63/07/58/372630758.db2.gz PFPMQWALAUBUAM-QWRGUYRKSA-N 1 3 202.317 1.653 10 0 BDAEHO C[C@@H](c1ccncc1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840024 372635693 /nfs/dbraw/zinc/63/56/93/372635693.db2.gz OJXSJWZVYJMDGC-MDZLAQPJSA-N 1 3 219.332 1.669 10 0 BDAEHO CCCCOCCN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631842239 372640016 /nfs/dbraw/zinc/64/00/16/372640016.db2.gz XKSLLMTXYADUND-NWDGAFQWSA-N 1 3 214.353 1.330 10 0 BDAEHO CCC[N@H+](C(C)C)C1(CN)CCN(CC)CC1 ZINC000037095898 169049107 /nfs/dbraw/zinc/04/91/07/169049107.db2.gz HFDLXTLULUIQQL-UHFFFAOYSA-N 1 3 241.423 1.920 10 0 BDAEHO CCC[N@@H+](C(C)C)C1(CN)CCN(CC)CC1 ZINC000037095898 169049109 /nfs/dbraw/zinc/04/91/09/169049109.db2.gz HFDLXTLULUIQQL-UHFFFAOYSA-N 1 3 241.423 1.920 10 0 BDAEHO CCCN(C)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000104313260 169077475 /nfs/dbraw/zinc/07/74/75/169077475.db2.gz RCDRPQHLHXIDFE-AWEZNQCLSA-N 1 3 240.391 1.877 10 0 BDAEHO CCC[N@H+](C)C[C@@]1(CNC2CC2)CCCOC1 ZINC000104313260 169077476 /nfs/dbraw/zinc/07/74/76/169077476.db2.gz RCDRPQHLHXIDFE-AWEZNQCLSA-N 1 3 240.391 1.877 10 0 BDAEHO CCC[N@@H+](C)C[C@@]1(CNC2CC2)CCCOC1 ZINC000104313260 169077478 /nfs/dbraw/zinc/07/74/78/169077478.db2.gz RCDRPQHLHXIDFE-AWEZNQCLSA-N 1 3 240.391 1.877 10 0 BDAEHO CCCN1CCN([C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000019405920 169202828 /nfs/dbraw/zinc/20/28/28/169202828.db2.gz QFEWKKWUCUACPO-CHWSQXEVSA-N 1 3 225.380 1.284 10 0 BDAEHO CCCN1CCN(CCCC[NH2+]C(C)C)CC1 ZINC000037634921 169202986 /nfs/dbraw/zinc/20/29/86/169202986.db2.gz NKFARTCNWYCERX-UHFFFAOYSA-N 1 3 241.423 1.792 10 0 BDAEHO CCC[NH2+][C@@H]1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000053875918 169282379 /nfs/dbraw/zinc/28/23/79/169282379.db2.gz FUNVITOQECLYRL-BFHYXJOUSA-N 1 3 240.391 1.611 10 0 BDAEHO CCC[NH2+][C@H]1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000053875920 169291584 /nfs/dbraw/zinc/29/15/84/169291584.db2.gz FUNVITOQECLYRL-MJBXVCDLSA-N 1 3 240.391 1.611 10 0 BDAEHO CCC[C@@H](C)[N@H+](C)C1(CN)CCN(CC)CC1 ZINC000036790280 169364145 /nfs/dbraw/zinc/36/41/45/169364145.db2.gz MVKDRTCZUBXODQ-CYBMUJFWSA-N 1 3 241.423 1.920 10 0 BDAEHO CCC[C@@H](C)[N@@H+](C)C1(CN)CCN(CC)CC1 ZINC000036790280 169364147 /nfs/dbraw/zinc/36/41/47/169364147.db2.gz MVKDRTCZUBXODQ-CYBMUJFWSA-N 1 3 241.423 1.920 10 0 BDAEHO CO[C@@H](C)CC[NH2+][C@H]1CCCNCC1 ZINC000308549434 384796770 /nfs/dbraw/zinc/79/67/70/384796770.db2.gz SUHWQGLQQVLQLQ-QWRGUYRKSA-N 1 3 200.326 1.143 10 0 BDAEHO COc1cccc(CNCC[C@@H](C)[NH3+])c1 ZINC000258779367 384943702 /nfs/dbraw/zinc/94/37/02/384943702.db2.gz OXMOVSIDHNVZGK-SNVBAGLBSA-N 1 3 208.305 1.522 10 0 BDAEHO NC[C@]12C[C@H]1CC[N@@H+]2Cc1ccccc1 ZINC000032628517 385175457 /nfs/dbraw/zinc/17/54/57/385175457.db2.gz UOCGLNOTFZZOEA-CHWSQXEVSA-N 1 3 202.301 1.610 10 0 BDAEHO NC[C@]12C[C@H]1CC[N@H+]2Cc1ccccc1 ZINC000032628517 385175460 /nfs/dbraw/zinc/17/54/60/385175460.db2.gz UOCGLNOTFZZOEA-CHWSQXEVSA-N 1 3 202.301 1.610 10 0 BDAEHO C[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)CN(C)C ZINC000336690620 385721552 /nfs/dbraw/zinc/72/15/52/385721552.db2.gz MHEYRQIYIZATLX-WOPDTQHZSA-N 1 3 214.353 1.199 10 0 BDAEHO CCN(CCN[C@@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000519698309 386529220 /nfs/dbraw/zinc/52/92/20/386529220.db2.gz IKQOQUDQGYUGMU-QWHCGFSZSA-N 1 3 239.407 1.448 10 0 BDAEHO C(N[C@@H]1CCC12CCCC2)[C@H]1CC[NH2+]C1 ZINC000335497781 386623671 /nfs/dbraw/zinc/62/36/71/386623671.db2.gz ZDLHTBXYWYHHDF-NWDGAFQWSA-N 1 3 208.349 1.908 10 0 BDAEHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H](CCO)C1 ZINC000228349659 387084358 /nfs/dbraw/zinc/08/43/58/387084358.db2.gz JQRICNAUWKGZMH-UONOGXRCSA-N 1 3 240.391 1.565 10 0 BDAEHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H](CCO)C1 ZINC000228349659 387084362 /nfs/dbraw/zinc/08/43/62/387084362.db2.gz JQRICNAUWKGZMH-UONOGXRCSA-N 1 3 240.391 1.565 10 0 BDAEHO COc1cccc([C@H](N)CCC[NH3+])c1OC ZINC000575438748 387119607 /nfs/dbraw/zinc/11/96/07/387119607.db2.gz HMCWLDOEJBCWOM-SNVBAGLBSA-N 1 3 224.304 1.443 10 0 BDAEHO C[C@@H]1C[C@H]([NH3+])CN1C1CCSCC1 ZINC000575593153 387224363 /nfs/dbraw/zinc/22/43/63/387224363.db2.gz YAVSAZNDESEZTJ-BDAKNGLRSA-N 1 3 200.351 1.304 10 0 BDAEHO [NH3+][C@H]1C[C@H](CN2CCC=C(Cl)C2)C1 ZINC000575483880 387194285 /nfs/dbraw/zinc/19/42/85/387194285.db2.gz RXTCBECWSGYKBI-CZMCAQCFSA-N 1 3 200.713 1.552 10 0 BDAEHO C[C@@H](NCCc1cccs1)[C@@H]1CC[NH2+]C1 ZINC000400436799 387299783 /nfs/dbraw/zinc/29/97/83/387299783.db2.gz MWRFOCJQVYKQDS-GHMZBOCLSA-N 1 3 224.373 1.878 10 0 BDAEHO [NH2+]=C(NO)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000575521484 387452594 /nfs/dbraw/zinc/45/25/94/387452594.db2.gz WZIHRXWSUNQVMQ-LLVKDONJSA-N 1 3 219.288 1.465 10 0 BDAEHO C[C@H]([NH2+]CCCOCC1CC1)[C@H]1CCCNC1 ZINC000643457829 387817276 /nfs/dbraw/zinc/81/72/76/387817276.db2.gz XIGDTEZCFZASLY-JSGCOSHPSA-N 1 3 240.391 1.781 10 0 BDAEHO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2CN)C[C@H](C)O1 ZINC000423108526 387892428 /nfs/dbraw/zinc/89/24/28/387892428.db2.gz TXIOGSBDYPXXRR-XVIXHAIJSA-N 1 3 240.391 1.907 10 0 BDAEHO CO[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]CC2)C12CCC2 ZINC000423171306 387957745 /nfs/dbraw/zinc/95/77/45/387957745.db2.gz OBAQOIRKXZPSQC-YNEHKIRRSA-N 1 3 238.375 1.676 10 0 BDAEHO CO[C@@H]1C[C@@H]([NH2+][C@H]2CCCNCC2)C12CCC2 ZINC000423171306 387957749 /nfs/dbraw/zinc/95/77/49/387957749.db2.gz OBAQOIRKXZPSQC-YNEHKIRRSA-N 1 3 238.375 1.676 10 0 BDAEHO CCC(CC)[C@H](O)CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400509566 387986545 /nfs/dbraw/zinc/98/65/45/387986545.db2.gz FEDFAYALLYYSIK-CYZMBNFOSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)CS1 ZINC000307367268 388423747 /nfs/dbraw/zinc/42/37/47/388423747.db2.gz MTAAWOVLSLMSNZ-MXWKQRLJSA-N 1 3 214.378 1.612 10 0 BDAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNCC2)CS1 ZINC000307367268 388423750 /nfs/dbraw/zinc/42/37/50/388423750.db2.gz MTAAWOVLSLMSNZ-MXWKQRLJSA-N 1 3 214.378 1.612 10 0 BDAEHO CC(C)(C)C[C@H](CO)N[C@H]1CCC[NH2+]CC1 ZINC000393481037 388431379 /nfs/dbraw/zinc/43/13/79/388431379.db2.gz VBECSFHULZNLKD-NWDGAFQWSA-N 1 3 228.380 1.515 10 0 BDAEHO CC(C)(C)C[C@H](CO)[NH2+][C@H]1CCCNCC1 ZINC000393481037 388431380 /nfs/dbraw/zinc/43/13/80/388431380.db2.gz VBECSFHULZNLKD-NWDGAFQWSA-N 1 3 228.380 1.515 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000530224370 388634381 /nfs/dbraw/zinc/63/43/81/388634381.db2.gz LVTWJOKFUZNQIK-IEECTRCBSA-N 1 3 226.364 1.530 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000530224370 388634384 /nfs/dbraw/zinc/63/43/84/388634384.db2.gz LVTWJOKFUZNQIK-IEECTRCBSA-N 1 3 226.364 1.530 10 0 BDAEHO C[C@H]([NH2+]CC1(CO)CCCC1)[C@H]1CCCNC1 ZINC000564826528 388891461 /nfs/dbraw/zinc/89/14/61/388891461.db2.gz RVFPVBRUODNSJV-STQMWFEESA-N 1 3 240.391 1.517 10 0 BDAEHO C[C@H](NCC1(CO)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000564826528 388891465 /nfs/dbraw/zinc/89/14/65/388891465.db2.gz RVFPVBRUODNSJV-STQMWFEESA-N 1 3 240.391 1.517 10 0 BDAEHO CCC[C@H](O)CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566089200 388986119 /nfs/dbraw/zinc/98/61/19/388986119.db2.gz FGDIYWIMBITZSS-UTUOFQBUSA-N 1 3 214.353 1.125 10 0 BDAEHO CCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000566089200 388986124 /nfs/dbraw/zinc/98/61/24/388986124.db2.gz FGDIYWIMBITZSS-UTUOFQBUSA-N 1 3 214.353 1.125 10 0 BDAEHO C[C@H]([NH2+][C@H](CO)C1CCCC1)[C@@H]1CCCNC1 ZINC000566088736 388986601 /nfs/dbraw/zinc/98/66/01/388986601.db2.gz DJNVZUNBILFKEK-IACUBPJLSA-N 1 3 240.391 1.515 10 0 BDAEHO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@H]1CCCNC1 ZINC000565827605 388970968 /nfs/dbraw/zinc/97/09/68/388970968.db2.gz KQQSCVYJZIMIGK-ZDEQEGDKSA-N 1 3 226.364 1.125 10 0 BDAEHO Cc1c(CNCC2=CC[N@H+](C)CC2)cnn1C ZINC000271843915 389027036 /nfs/dbraw/zinc/02/70/36/389027036.db2.gz RIPIBVJWKFYORQ-UHFFFAOYSA-N 1 3 234.347 1.080 10 0 BDAEHO Cc1c(CNCC2=CC[N@@H+](C)CC2)cnn1C ZINC000271843915 389027041 /nfs/dbraw/zinc/02/70/41/389027041.db2.gz RIPIBVJWKFYORQ-UHFFFAOYSA-N 1 3 234.347 1.080 10 0 BDAEHO C[C@@H](NCC1(N(C)C)CCC1)[C@H]1CC[NH2+]C1 ZINC000400515195 533360439 /nfs/dbraw/zinc/36/04/39/533360439.db2.gz KJGSXJWNPURUCF-NEPJUHHUSA-N 1 3 225.380 1.058 10 0 BDAEHO C[C@@H](N[C@@H](CO)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400512104 533512546 /nfs/dbraw/zinc/51/25/46/533512546.db2.gz FQWSERZPJKDPBH-BPLDGKMQSA-N 1 3 248.370 1.178 10 0 BDAEHO CCCN1CCN(c2ncccc2C[NH2+]C)CC1 ZINC000051436322 132360913 /nfs/dbraw/zinc/36/09/13/132360913.db2.gz HOTAFFSFCAOQOC-UHFFFAOYSA-N 1 3 248.374 1.333 10 0 BDAEHO Cc1ccc(CN)c(N2CCC([NH+](C)C)CC2)c1 ZINC000051579081 132361527 /nfs/dbraw/zinc/36/15/27/132361527.db2.gz AXAMPMVPRLZUGE-UHFFFAOYSA-N 1 3 247.386 1.984 10 0 BDAEHO C[NH2+]C[C@@H]1CCCCN1c1ccncc1 ZINC000053706625 132363378 /nfs/dbraw/zinc/36/33/78/132363378.db2.gz GXBYRNWRWRDUSX-LBPRGKRZSA-N 1 3 205.305 1.660 10 0 BDAEHO OCCN(CCC[NH+]1CCCC1)C1CCC1 ZINC000221185544 134317219 /nfs/dbraw/zinc/31/72/19/134317219.db2.gz UWVXJEYYVIQNTR-UHFFFAOYSA-N 1 3 226.364 1.319 10 0 BDAEHO CC[C@H](COC)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000222738925 134334197 /nfs/dbraw/zinc/33/41/97/134334197.db2.gz OZHSPGSYONHBHC-IJLUTSLNSA-N 1 3 214.353 1.484 10 0 BDAEHO C[C@H](O)CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251155620 135065506 /nfs/dbraw/zinc/06/55/06/135065506.db2.gz BJJMVYFDYBIFCV-LOWDOPEQSA-N 1 3 226.364 1.268 10 0 BDAEHO CC1(C)CCC(CNC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263150632 135335896 /nfs/dbraw/zinc/33/58/96/135335896.db2.gz DASDEVHILWRTJM-QWHCGFSZSA-N 1 3 240.391 1.373 10 0 BDAEHO CC1(C)CCC(C[NH2+]C[C@H]2CNC[C@H]2O)CC1 ZINC000263150632 135335898 /nfs/dbraw/zinc/33/58/98/135335898.db2.gz DASDEVHILWRTJM-QWHCGFSZSA-N 1 3 240.391 1.373 10 0 BDAEHO Cc1ccccc1C[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000263310743 135345900 /nfs/dbraw/zinc/34/59/00/135345900.db2.gz YNZRJTLEUSCTDQ-AEGPPILISA-N 1 3 248.370 1.096 10 0 BDAEHO C[C@@H]1CC[N@H+](CCCN2CCCC2)C[C@H]1O ZINC000299891583 135381228 /nfs/dbraw/zinc/38/12/28/135381228.db2.gz WHTVQZKFMLVFOV-CHWSQXEVSA-N 1 3 226.364 1.175 10 0 BDAEHO C[C@@H]1CC[N@@H+](CCCN2CCCC2)C[C@H]1O ZINC000299891583 135381230 /nfs/dbraw/zinc/38/12/30/135381230.db2.gz WHTVQZKFMLVFOV-CHWSQXEVSA-N 1 3 226.364 1.175 10 0 BDAEHO C[C@H](O)[C@H]1CCN(CCC[NH+]2CCCC2)C1 ZINC000166116795 136074125 /nfs/dbraw/zinc/07/41/25/136074125.db2.gz SETXOWGPMPTXDC-STQMWFEESA-N 1 3 226.364 1.175 10 0 BDAEHO C[C@@H]1CC[C@@H](N)C[N@@H+]1[C@@H]1CCSC1 ZINC000575480274 398022464 /nfs/dbraw/zinc/02/24/64/398022464.db2.gz HSFOMFYBYVWCCI-OPRDCNLKSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1CC[C@@H](N)C[N@H+]1[C@@H]1CCSC1 ZINC000575480274 398022467 /nfs/dbraw/zinc/02/24/67/398022467.db2.gz HSFOMFYBYVWCCI-OPRDCNLKSA-N 1 3 200.351 1.304 10 0 BDAEHO CC(C)[NH2+]C[C@H]1CCCN([C@@H]2CCN(C)C2)C1 ZINC000063137005 167114976 /nfs/dbraw/zinc/11/49/76/167114976.db2.gz PSUYXCOOATUWAP-ZIAGYGMSSA-N 1 3 239.407 1.401 10 0 BDAEHO CC(C)C[NH2+]C[C@H]1CCCCN1CCN(C)C ZINC000053653095 167006500 /nfs/dbraw/zinc/00/65/00/167006500.db2.gz PTBFEKXJTWSLEJ-CQSZACIVSA-N 1 3 241.423 1.648 10 0 BDAEHO CC(C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC000037477328 167104000 /nfs/dbraw/zinc/10/40/00/167104000.db2.gz VJKPEKIMGNQSJQ-UHFFFAOYSA-N 1 3 213.369 1.010 10 0 BDAEHO CC(C)[NH2+]CCNCCN1CCCCCC1 ZINC000049474879 167107065 /nfs/dbraw/zinc/10/70/65/167107065.db2.gz WUBDSEFWPLMZPX-UHFFFAOYSA-N 1 3 227.396 1.450 10 0 BDAEHO Cc1cnc(CCN[C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000656199847 411203971 /nfs/dbraw/zinc/20/39/71/411203971.db2.gz FSSXRFUKGUHJJN-CQSZACIVSA-N 1 3 247.386 1.973 10 0 BDAEHO C[C@@H](CNC[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656781976 411357976 /nfs/dbraw/zinc/35/79/76/411357976.db2.gz BKQKIJRHCFRMMZ-QWHCGFSZSA-N 1 3 233.359 1.774 10 0 BDAEHO C[C@@H](C[NH2+]C[C@@H]1CCCNC1)c1ccccn1 ZINC000656781976 411357980 /nfs/dbraw/zinc/35/79/80/411357980.db2.gz BKQKIJRHCFRMMZ-QWHCGFSZSA-N 1 3 233.359 1.774 10 0 BDAEHO CC[NH2+]CC(C)(C)CN1CCC[C@H]1CCCO ZINC000052763376 170110564 /nfs/dbraw/zinc/11/05/64/170110564.db2.gz HAOTULPSYMRHKF-ZDUSSCGKSA-N 1 3 242.407 1.859 10 0 BDAEHO CC[NH2+]C[C@@H](C(C)C)N1CCN(C(C)C)CC1 ZINC000052479952 170117969 /nfs/dbraw/zinc/11/79/69/170117969.db2.gz FJPCTNDHQUAPFH-AWEZNQCLSA-N 1 3 241.423 1.647 10 0 BDAEHO CC[NH2+]C[C@@H](C)CN1CCN(C)C(C)(C)C1 ZINC000082485188 170118759 /nfs/dbraw/zinc/11/87/59/170118759.db2.gz FALKZLXNFVXZAZ-GFCCVEGCSA-N 1 3 227.396 1.258 10 0 BDAEHO CC[NH2+]C[C@@H](C)CN(CCCOC)CCOC ZINC000052543213 170119198 /nfs/dbraw/zinc/11/91/98/170119198.db2.gz CRSBPBHKQHEISD-CYBMUJFWSA-N 1 3 246.395 1.217 10 0 BDAEHO CC[NH2+][C@H](C)CN1CCN(C2CCCC2)CC1 ZINC000052061293 170156800 /nfs/dbraw/zinc/15/68/00/170156800.db2.gz GUTYVVFRSMFXIU-CYBMUJFWSA-N 1 3 239.407 1.545 10 0 BDAEHO CCOC1CC[NH+](CC2(N)CCCC2)CC1 ZINC000040690239 170333099 /nfs/dbraw/zinc/33/30/99/170333099.db2.gz FKXKYVUSBYHERM-UHFFFAOYSA-N 1 3 226.364 1.759 10 0 BDAEHO CC[C@H](C(N)=O)N(CCC[NH3+])C1CCCCC1 ZINC000061676117 171243409 /nfs/dbraw/zinc/24/34/09/171243409.db2.gz IEONUHIRQNJJAP-GFCCVEGCSA-N 1 3 241.379 1.234 10 0 BDAEHO CC[C@H](C)N1CCN(CC(C)(C)C[NH2+]C)CC1 ZINC000055072111 171318805 /nfs/dbraw/zinc/31/88/05/171318805.db2.gz DXDRAAPGMGRSJT-ZDUSSCGKSA-N 1 3 241.423 1.648 10 0 BDAEHO CC[C@H](C)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000055066891 171319504 /nfs/dbraw/zinc/31/95/04/171319504.db2.gz SHFOVTHUEOYENR-QWHCGFSZSA-N 1 3 225.380 1.012 10 0 BDAEHO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000049557552 171332335 /nfs/dbraw/zinc/33/23/35/171332335.db2.gz JMZUGUZEFZFICO-SDDRHHMPSA-N 1 3 243.395 1.219 10 0 BDAEHO CC[C@H](C)NCC1C(=O)[O+]=NN1C(C)C ZINC000083250950 171342529 /nfs/dbraw/zinc/34/25/29/171342529.db2.gz MDYVULBGGZOHOF-QMMMGPOBSA-O 1 3 214.289 1.137 10 0 BDAEHO CC[C@H](C)[C@@H](C[NH3+])N1CCN([C@@H](C)CC)CC1 ZINC000055064297 171368633 /nfs/dbraw/zinc/36/86/33/171368633.db2.gz KRIZAIQDGLXTLP-MELADBBJSA-N 1 3 241.423 1.776 10 0 BDAEHO CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000049220748 171371034 /nfs/dbraw/zinc/37/10/34/171371034.db2.gz DSVMDWNROXGCHB-SDDRHHMPSA-N 1 3 243.395 1.062 10 0 BDAEHO CO[C@H](CN[C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000665276161 412218991 /nfs/dbraw/zinc/21/89/91/412218991.db2.gz ZKMWSFYBJDILEC-ZIAGYGMSSA-N 1 3 240.391 1.923 10 0 BDAEHO CO[C@@H](CNC1CC[NH2+]CC1)C1CCCC1 ZINC000665275696 412219248 /nfs/dbraw/zinc/21/92/48/412219248.db2.gz PIQGQTNERSDZNK-ZDUSSCGKSA-N 1 3 226.364 1.533 10 0 BDAEHO CO[C@@H](C[NH2+]C1CCNCC1)C1CCCC1 ZINC000665275696 412219252 /nfs/dbraw/zinc/21/92/52/412219252.db2.gz PIQGQTNERSDZNK-ZDUSSCGKSA-N 1 3 226.364 1.533 10 0 BDAEHO CC[C@](C)(C[NH3+])CN1CCN(C(C)(C)C)CC1 ZINC000051257988 171691844 /nfs/dbraw/zinc/69/18/44/171691844.db2.gz RZBUCLXHOAOHGO-CQSZACIVSA-N 1 3 241.423 1.778 10 0 BDAEHO CN(CC[C@@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000042171868 172988080 /nfs/dbraw/zinc/98/80/80/172988080.db2.gz JAXRMMPLPCFXAH-LBPRGKRZSA-N 1 3 225.380 1.155 10 0 BDAEHO CN1CCCN(Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000020217628 173016693 /nfs/dbraw/zinc/01/66/93/173016693.db2.gz FOTJHUJTFCCISB-UHFFFAOYSA-N 1 3 246.358 1.108 10 0 BDAEHO CN1CCN(CC2(C[NH3+])CCCCC2)CC1 ZINC000049820247 173078098 /nfs/dbraw/zinc/07/80/98/173078098.db2.gz ZAKIBZHMZBBOPQ-UHFFFAOYSA-N 1 3 225.380 1.143 10 0 BDAEHO CN1CC[C@H](CN2Cc3ccccc3C2=[NH2+])C1 ZINC000037647619 173145878 /nfs/dbraw/zinc/14/58/78/173145878.db2.gz QBHJIFNOTQHNKK-NSHDSACASA-N 1 3 229.327 1.779 10 0 BDAEHO C[NH2+]CC(C)(C)CN1CCN(CC(C)C)CC1 ZINC000055081824 173336914 /nfs/dbraw/zinc/33/69/14/173336914.db2.gz QCBYTOWHNQZDPJ-UHFFFAOYSA-N 1 3 241.423 1.506 10 0 BDAEHO C[NH2+]CCCO[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702352 173349627 /nfs/dbraw/zinc/34/96/27/173349627.db2.gz XNNRPLQEEOVHLH-OAHLLOKOSA-N 1 3 248.370 1.887 10 0 BDAEHO CNCc1ccoc1C[N@@H+]1CCC[C@H]1C ZINC000052375683 173391656 /nfs/dbraw/zinc/39/16/56/173391656.db2.gz NCFAJKCILUCUCH-SNVBAGLBSA-N 1 3 208.305 1.983 10 0 BDAEHO CNCc1ccoc1C[N@H+]1CCC[C@H]1C ZINC000052375683 173391658 /nfs/dbraw/zinc/39/16/58/173391658.db2.gz NCFAJKCILUCUCH-SNVBAGLBSA-N 1 3 208.305 1.983 10 0 BDAEHO COC1CC[NH+]([C@H]2CCCC[C@H]2CN)CC1 ZINC000037265718 174029756 /nfs/dbraw/zinc/02/97/56/174029756.db2.gz RJRVJLOHYBBLAW-AAEUAGOBSA-N 1 3 226.364 1.615 10 0 BDAEHO COC1CC[NH+]([C@@H]2C[C@H](C)CC[C@H]2CN)CC1 ZINC000037265709 174031208 /nfs/dbraw/zinc/03/12/08/174031208.db2.gz VDRYGTSWQQTUEM-MBNYWOFBSA-N 1 3 240.391 1.861 10 0 BDAEHO COCCCN1CCC[NH2+][C@@H](C)CC1 ZINC000049665796 174229285 /nfs/dbraw/zinc/22/92/85/174229285.db2.gz IFFBBJFVFTZXDA-NSHDSACASA-N 1 3 200.326 1.097 10 0 BDAEHO COCCC[N@@H+]1CCCN[C@@H](C)CC1 ZINC000049665796 174229288 /nfs/dbraw/zinc/22/92/88/174229288.db2.gz IFFBBJFVFTZXDA-NSHDSACASA-N 1 3 200.326 1.097 10 0 BDAEHO COCCC[N@H+]1CCCN[C@@H](C)CC1 ZINC000049665796 174229289 /nfs/dbraw/zinc/22/92/89/174229289.db2.gz IFFBBJFVFTZXDA-NSHDSACASA-N 1 3 200.326 1.097 10 0 BDAEHO COCCCN1CC[C@@H](C)[NH2+][C@H](C)CC1 ZINC000049665805 174233717 /nfs/dbraw/zinc/23/37/17/174233717.db2.gz VMHPHMZKZVSGHG-VXGBXAGGSA-N 1 3 214.353 1.485 10 0 BDAEHO COCC[N@H+](C1CC1)[C@@H]1C[C@@H](C)CC[C@@H]1CN ZINC000042517607 174284924 /nfs/dbraw/zinc/28/49/24/174284924.db2.gz WYMOZTQVCJPNFN-OUCADQQQSA-N 1 3 240.391 1.861 10 0 BDAEHO COCC[N@@H+](C1CC1)[C@@H]1C[C@@H](C)CC[C@@H]1CN ZINC000042517607 174284926 /nfs/dbraw/zinc/28/49/26/174284926.db2.gz WYMOZTQVCJPNFN-OUCADQQQSA-N 1 3 240.391 1.861 10 0 BDAEHO COCCN(C1CC1)[C@@H]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC000042517607 174284928 /nfs/dbraw/zinc/28/49/28/174284928.db2.gz WYMOZTQVCJPNFN-OUCADQQQSA-N 1 3 240.391 1.861 10 0 BDAEHO COc1ccc(CC[N@H+](C)[C@@H](C)CCN)cc1 ZINC000049828327 175090225 /nfs/dbraw/zinc/09/02/25/175090225.db2.gz JWVDYZVTUDROAW-LBPRGKRZSA-N 1 3 236.359 1.907 10 0 BDAEHO COc1ccc(CC[N@@H+](C)[C@@H](C)CCN)cc1 ZINC000049828327 175090227 /nfs/dbraw/zinc/09/02/27/175090227.db2.gz JWVDYZVTUDROAW-LBPRGKRZSA-N 1 3 236.359 1.907 10 0 BDAEHO COc1ccc(C[NH3+])cc1OCCN(C)C ZINC000011961270 175097665 /nfs/dbraw/zinc/09/76/65/175097665.db2.gz WAZJYMZZFVUCHX-UHFFFAOYSA-N 1 3 224.304 1.094 10 0 BDAEHO C[C@@H]1CC[NH+](C2CCOCC2)CC[C@@H](C)N1 ZINC000049666377 176166183 /nfs/dbraw/zinc/16/61/83/176166183.db2.gz GQHUQVKWVHBFQZ-VXGBXAGGSA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@H]1CCCN([C@]2(C[NH3+])CCN(C3CC3)C2)C1 ZINC000061990021 177105703 /nfs/dbraw/zinc/10/57/03/177105703.db2.gz SIJPBLFDFIDMLP-JSGCOSHPSA-N 1 3 237.391 1.284 10 0 BDAEHO C[C@H]1CCCN1[C@]1(C[NH3+])CCSC1 ZINC000037910490 177112166 /nfs/dbraw/zinc/11/21/66/177112166.db2.gz ZTBWPZHMBGLQJR-UWVGGRQHSA-N 1 3 200.351 1.305 10 0 BDAEHO C[C@H]1CCC[C@](CN)([N@@H+]2CCCN(C)CC2)C1 ZINC000020217716 177143385 /nfs/dbraw/zinc/14/33/85/177143385.db2.gz JZHFXBGRKQLENN-KBPBESRZSA-N 1 3 239.407 1.532 10 0 BDAEHO C[C@H]1CCC[C@](CN)([N@H+]2CCCN(C)CC2)C1 ZINC000020217716 177143386 /nfs/dbraw/zinc/14/33/86/177143386.db2.gz JZHFXBGRKQLENN-KBPBESRZSA-N 1 3 239.407 1.532 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@H](C)CN(C[C@@H]2CCCCO2)C1 ZINC000042824652 177285479 /nfs/dbraw/zinc/28/54/79/177285479.db2.gz UXINUUZTIJIZFB-MJBXVCDLSA-N 1 3 240.391 1.733 10 0 BDAEHO C[C@H]1CNC[C@H](C)C[NH+](CC2CCC2)C1 ZINC000049665873 177285902 /nfs/dbraw/zinc/28/59/02/177285902.db2.gz VVPVEPLPDAWCHH-RYUDHWBXSA-N 1 3 210.365 1.964 10 0 BDAEHO C[C@H]1C[C@@H](NC2CC(F)(F)C2)CC[N@@H+]1C ZINC000309145450 177330783 /nfs/dbraw/zinc/33/07/83/177330783.db2.gz VCFSNICJBHDXQK-IUCAKERBSA-N 1 3 218.291 1.856 10 0 BDAEHO C[C@H]1C[C@@H](NC2CC(F)(F)C2)CC[N@H+]1C ZINC000309145450 177330785 /nfs/dbraw/zinc/33/07/85/177330785.db2.gz VCFSNICJBHDXQK-IUCAKERBSA-N 1 3 218.291 1.856 10 0 BDAEHO C[C@H](N[C@H](CO)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400334862 225014200 /nfs/dbraw/zinc/01/42/00/225014200.db2.gz FQWSERZPJKDPBH-QEJZJMRPSA-N 1 3 248.370 1.178 10 0 BDAEHO C[C@H](NC[C@]1(C)CCCO1)[C@H]1CC[NH2+]C1 ZINC000400416655 225225136 /nfs/dbraw/zinc/22/51/36/225225136.db2.gz VOSKJJJCXOWMPU-SRVKXCTJSA-N 1 3 212.337 1.143 10 0 BDAEHO C[C@@H](NCCOCC1CC1)[C@H]1CC[NH2+]C1 ZINC000400334027 226341088 /nfs/dbraw/zinc/34/10/88/226341088.db2.gz CRFZARZAPOJJMJ-PWSUYJOCSA-N 1 3 212.337 1.001 10 0 BDAEHO C[C@H](NCCCOCC1CC1)[C@H]1CC[NH2+]C1 ZINC000400380251 226342507 /nfs/dbraw/zinc/34/25/07/226342507.db2.gz KAILHMDGQVYTJU-AAEUAGOBSA-N 1 3 226.364 1.391 10 0 BDAEHO C[C@@H](NCCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400444305 226343586 /nfs/dbraw/zinc/34/35/86/226343586.db2.gz PEMIAPLNVVDKOQ-OCCSQVGLSA-N 1 3 218.344 1.817 10 0 BDAEHO CO[C@@H]([C@H](C)N[C@H](C)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000400757448 226351486 /nfs/dbraw/zinc/35/14/86/226351486.db2.gz XIOIEPAHUXNBSE-DNIRFERGSA-N 1 3 226.364 1.388 10 0 BDAEHO CN(C)[C@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000563434075 323125385 /nfs/dbraw/zinc/12/53/85/323125385.db2.gz UZNIWKDFHOQWIM-IGQOVBAYSA-N 1 3 240.391 1.752 10 0 BDAEHO C[NH+](C)[C@H]1CCC[C@H](N[C@@H]2CCCC[C@H]2O)C1 ZINC000563434075 323125386 /nfs/dbraw/zinc/12/53/86/323125386.db2.gz UZNIWKDFHOQWIM-IGQOVBAYSA-N 1 3 240.391 1.752 10 0 BDAEHO CCC[C@H](CNC1CC[NH2+]CC1)OCC ZINC000530209442 323209863 /nfs/dbraw/zinc/20/98/63/323209863.db2.gz HRXMAHFCKBDKRC-GFCCVEGCSA-N 1 3 214.353 1.533 10 0 BDAEHO CCC[C@H](C[NH2+]C1CCNCC1)OCC ZINC000530209442 323209864 /nfs/dbraw/zinc/20/98/64/323209864.db2.gz HRXMAHFCKBDKRC-GFCCVEGCSA-N 1 3 214.353 1.533 10 0 BDAEHO C[C@H](NCCc1ccc(O)cc1)[C@H]1CC[NH2+]C1 ZINC000400779539 324168378 /nfs/dbraw/zinc/16/83/78/324168378.db2.gz PBLASQLRQKKGMC-AAEUAGOBSA-N 1 3 234.343 1.522 10 0 BDAEHO C[C@H]([NH2+]CCCn1cccn1)[C@H]1CCCNC1 ZINC000567603951 326226978 /nfs/dbraw/zinc/22/69/78/326226978.db2.gz DAFYOIOUQAEGPK-STQMWFEESA-N 1 3 236.363 1.251 10 0 BDAEHO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000569093360 326389197 /nfs/dbraw/zinc/38/91/97/326389197.db2.gz LMITWSWNPQHFAG-GRYCIOLGSA-N 1 3 228.380 1.514 10 0 BDAEHO C[C@H](CC(C)(C)O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000569093360 326389199 /nfs/dbraw/zinc/38/91/99/326389199.db2.gz LMITWSWNPQHFAG-GRYCIOLGSA-N 1 3 228.380 1.514 10 0 BDAEHO C[C@H](CC(C)(C)O)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000569093361 326389278 /nfs/dbraw/zinc/38/92/78/326389278.db2.gz LMITWSWNPQHFAG-IJLUTSLNSA-N 1 3 228.380 1.514 10 0 BDAEHO C[C@H](CC(C)(C)O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000569093361 326389279 /nfs/dbraw/zinc/38/92/79/326389279.db2.gz LMITWSWNPQHFAG-IJLUTSLNSA-N 1 3 228.380 1.514 10 0 BDAEHO CN1CCC[C@H]2C[N@@H+]([C@@H]3CCC[C@H]3O)CC[C@H]21 ZINC000299926748 488194826 /nfs/dbraw/zinc/19/48/26/488194826.db2.gz SUSDEALAKFKBDK-REWJHTLYSA-N 1 3 238.375 1.316 10 0 BDAEHO CN1CCC[C@H]2C[N@H+]([C@@H]3CCC[C@H]3O)CC[C@H]21 ZINC000299926748 488194830 /nfs/dbraw/zinc/19/48/30/488194830.db2.gz SUSDEALAKFKBDK-REWJHTLYSA-N 1 3 238.375 1.316 10 0 BDAEHO C[C@H]1C[NH2+]C[C@]2(CCCN2CCN(C)C)C1 ZINC000757125172 582500315 /nfs/dbraw/zinc/50/03/15/582500315.db2.gz DDGRKOOKGLUBIR-OLZOCXBDSA-N 1 3 225.380 1.012 10 0 BDAEHO C[C@H]1C[NH2+]C[C@@]2(CCCN2CC2CC2)C1 ZINC000757135111 582514032 /nfs/dbraw/zinc/51/40/32/582514032.db2.gz YVOWYHYXNWAPAQ-DGCLKSJQSA-N 1 3 208.349 1.860 10 0 BDAEHO C[C@H]1CNC[C@@]2(CCC[N@@H+]2CC2CC2)C1 ZINC000757135111 582514034 /nfs/dbraw/zinc/51/40/34/582514034.db2.gz YVOWYHYXNWAPAQ-DGCLKSJQSA-N 1 3 208.349 1.860 10 0 BDAEHO C[C@H]1CNC[C@@]2(CCC[N@H+]2CC2CC2)C1 ZINC000757135111 582514036 /nfs/dbraw/zinc/51/40/36/582514036.db2.gz YVOWYHYXNWAPAQ-DGCLKSJQSA-N 1 3 208.349 1.860 10 0 BDAEHO CC(C)[C@@H]1[NH2+]C2(CCNCC2)OCC12CCC2 ZINC000757142738 582523036 /nfs/dbraw/zinc/52/30/36/582523036.db2.gz LTFJQXFNQHKGIR-LBPRGKRZSA-N 1 3 238.375 1.881 10 0 BDAEHO C[C@H]1CC(C)(C)O[C@]2(CCCN(C)CC2)[NH2+]1 ZINC000757153710 582538398 /nfs/dbraw/zinc/53/83/98/582538398.db2.gz WYTARFGGWJKATD-AAEUAGOBSA-N 1 3 226.364 1.975 10 0 BDAEHO CS[C@H](C)CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400466433 534061118 /nfs/dbraw/zinc/06/11/18/534061118.db2.gz WDQDFRSBTLUILK-BBBLOLIVSA-N 1 3 202.367 1.326 10 0 BDAEHO CC(C)CCOCCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400743777 527759763 /nfs/dbraw/zinc/75/97/63/527759763.db2.gz UENXTLCWNRQVFC-OLZOCXBDSA-N 1 3 228.380 1.637 10 0 BDAEHO CCCCOCCCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400744795 528587760 /nfs/dbraw/zinc/58/77/60/528587760.db2.gz UHBXUOCTKPMRER-CHWSQXEVSA-N 1 3 228.380 1.781 10 0 BDAEHO C1CC1[C@@H]1CCOC2(CC[NH+](C3CC3)CC2)N1 ZINC000757145735 582528386 /nfs/dbraw/zinc/52/83/86/582528386.db2.gz QJHCMHAGJDPAOR-ZDUSSCGKSA-N 1 3 236.359 1.729 10 0 BDAEHO CCN1CCC2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757147021 582530939 /nfs/dbraw/zinc/53/09/39/582530939.db2.gz RSGYTCGPELRFMR-UHFFFAOYSA-N 1 3 238.375 1.979 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1CC[C@H](N)[C@H](C)[NH2+]1 ZINC000757239229 585330618 /nfs/dbraw/zinc/33/06/18/585330618.db2.gz TUCMGAYHAHLQQB-XDTLVQLUSA-N 1 3 219.332 1.718 10 0 BDAEHO Nc1cccc([C@@H]2NCCC[C@H]2C[NH3+])c1 ZINC000757215385 586440819 /nfs/dbraw/zinc/44/08/19/586440819.db2.gz NIFAOGOMKGNTLC-JQWIXIFHSA-N 1 3 205.305 1.268 10 0 BDAEHO C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2cccc(N)c2)N1 ZINC000757220111 586442262 /nfs/dbraw/zinc/44/22/62/586442262.db2.gz ZYHQSEAMNPEFBZ-CDMKHQONSA-N 1 3 219.332 1.657 10 0 BDAEHO Cc1ccc(N)cc1[C@H]1C[NH2+]C[C@H](CN)C1 ZINC000757237373 586443834 /nfs/dbraw/zinc/44/38/34/586443834.db2.gz PXMBKHZECYVMFV-WDEREUQCSA-N 1 3 219.332 1.229 10 0 BDAEHO Cc1ccc(N)cc1[C@H]1CNC[C@H](C[NH3+])C1 ZINC000757237373 586443835 /nfs/dbraw/zinc/44/38/35/586443835.db2.gz PXMBKHZECYVMFV-WDEREUQCSA-N 1 3 219.332 1.229 10 0 BDAEHO CC[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251917076 644830938 /nfs/dbraw/zinc/83/09/38/644830938.db2.gz YEBJTXUOXGBRBZ-IJLUTSLNSA-N 1 3 212.337 1.225 10 0 BDAEHO COC[C@H](CN1C[C@@H](C)[C@@H]([NH3+])C1)C(C)C ZINC000721909660 711814624 /nfs/dbraw/zinc/81/46/24/711814624.db2.gz AZZFHHYXGUPTRB-WOPDTQHZSA-N 1 3 214.353 1.184 10 0 BDAEHO C[C@@H](NCCc1ccns1)[C@H]1CCC[NH2+]C1 ZINC000709985272 712237281 /nfs/dbraw/zinc/23/72/81/712237281.db2.gz SEZSAKXTZIXFHC-MNOVXSKESA-N 1 3 239.388 1.663 10 0 BDAEHO CC1(C)CC[C@@H](CNC2CC[NH2+]CC2)OC1 ZINC000711386470 712296748 /nfs/dbraw/zinc/29/67/48/712296748.db2.gz UAGCVVBNGQLZCA-LBPRGKRZSA-N 1 3 226.364 1.533 10 0 BDAEHO CC1(C)CC[C@@H](C[NH2+]C2CCNCC2)OC1 ZINC000711386470 712296750 /nfs/dbraw/zinc/29/67/50/712296750.db2.gz UAGCVVBNGQLZCA-LBPRGKRZSA-N 1 3 226.364 1.533 10 0 BDAEHO CCC[C@H](N)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712669489 712440101 /nfs/dbraw/zinc/44/01/01/712440101.db2.gz RXLUJUQGNTUXEV-NSHDSACASA-N 1 3 241.379 1.057 10 0 BDAEHO CCC[C@H](N)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712669489 712440102 /nfs/dbraw/zinc/44/01/02/712440102.db2.gz RXLUJUQGNTUXEV-NSHDSACASA-N 1 3 241.379 1.057 10 0 BDAEHO CCC[C@H]([NH3+])C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712669489 712440103 /nfs/dbraw/zinc/44/01/03/712440103.db2.gz RXLUJUQGNTUXEV-NSHDSACASA-N 1 3 241.379 1.057 10 0 BDAEHO CCC1([NH3+])CCN([C@H](C)[C@H](C)OC)CC1 ZINC000714754865 712497898 /nfs/dbraw/zinc/49/78/98/712497898.db2.gz YQKRXZIPCMBCOX-MNOVXSKESA-N 1 3 214.353 1.613 10 0 BDAEHO CC(C)[C@H]1CN(C2CC[NH2+]CC2)CCN1C ZINC000199442977 398191900 /nfs/dbraw/zinc/19/19/00/398191900.db2.gz KQNAVANFSQEZIR-CYBMUJFWSA-N 1 3 225.380 1.010 10 0 BDAEHO CN(CCc1cn[nH]c1)[C@H]1CCC[NH2+]CC1 ZINC000380960517 398215097 /nfs/dbraw/zinc/21/50/97/398215097.db2.gz APPHLLWUGQOCCD-LBPRGKRZSA-N 1 3 222.336 1.026 10 0 BDAEHO COc1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631838657 398285438 /nfs/dbraw/zinc/28/54/38/398285438.db2.gz SKNUIMHOZGJYME-AAEUAGOBSA-N 1 3 234.343 1.722 10 0 BDAEHO C[C@H]([NH3+])[C@@H](C)CN1CCCSCC1 ZINC000228595332 398325044 /nfs/dbraw/zinc/32/50/44/398325044.db2.gz SXFQBZGVQPHRCJ-UWVGGRQHSA-N 1 3 202.367 1.409 10 0 BDAEHO C[C@H]([NH2+]C[C@H]1CCCNC1)C1CCOCC1 ZINC000235518991 343048039 /nfs/dbraw/zinc/04/80/39/343048039.db2.gz DJZAFYHVWXYSLD-RYUDHWBXSA-N 1 3 226.364 1.391 10 0 BDAEHO CC[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)C(C)(C)O ZINC000400425216 529651274 /nfs/dbraw/zinc/65/12/74/529651274.db2.gz YHKLFGGSOGHYAA-DCAQKATOSA-N 1 3 214.353 1.124 10 0 BDAEHO C[C@H](NC[C@H](O)C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000562957168 323035140 /nfs/dbraw/zinc/03/51/40/323035140.db2.gz SHZHLUBXNCDHKN-UHTWSYAYSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H]([NH2+]C[C@H](O)C1CCC1)[C@@H]1CCCNC1 ZINC000562957168 323035141 /nfs/dbraw/zinc/03/51/41/323035141.db2.gz SHZHLUBXNCDHKN-UHTWSYAYSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H]1C[C@H](N)CC[N@@H+]1C[Si](C)(C)C ZINC000401837785 343733632 /nfs/dbraw/zinc/73/36/32/343733632.db2.gz FSRRWKNZONWOPL-VHSXEESVSA-N 1 3 200.402 1.675 10 0 BDAEHO C[C@H]1C[C@H](N)CC[N@H+]1C[Si](C)(C)C ZINC000401837785 343733635 /nfs/dbraw/zinc/73/36/35/343733635.db2.gz FSRRWKNZONWOPL-VHSXEESVSA-N 1 3 200.402 1.675 10 0 BDAEHO FCCC1CCN(C2CC[NH2+]CC2)CC1 ZINC000409426660 343798446 /nfs/dbraw/zinc/79/84/46/343798446.db2.gz IKHPMJVUUPEYBT-UHFFFAOYSA-N 1 3 214.328 1.810 10 0 BDAEHO FCCC1CC[NH+](C2CCNCC2)CC1 ZINC000409426660 343798448 /nfs/dbraw/zinc/79/84/48/343798448.db2.gz IKHPMJVUUPEYBT-UHFFFAOYSA-N 1 3 214.328 1.810 10 0 BDAEHO CCOC[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000409430207 343807731 /nfs/dbraw/zinc/80/77/31/343807731.db2.gz QBPHIXUSFSQTRL-GFCCVEGCSA-N 1 3 226.364 1.487 10 0 BDAEHO CCOC[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000409430207 343807733 /nfs/dbraw/zinc/80/77/33/343807733.db2.gz QBPHIXUSFSQTRL-GFCCVEGCSA-N 1 3 226.364 1.487 10 0 BDAEHO CCOC[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000409430207 343807735 /nfs/dbraw/zinc/80/77/35/343807735.db2.gz QBPHIXUSFSQTRL-GFCCVEGCSA-N 1 3 226.364 1.487 10 0 BDAEHO C1C[C@H]2COCC[N@@H+](C3CCNCC3)[C@@H]2C1 ZINC000409430326 343808064 /nfs/dbraw/zinc/80/80/64/343808064.db2.gz VFRJYNBGLZBNRG-WCQYABFASA-N 1 3 224.348 1.239 10 0 BDAEHO C1C[C@H]2COCC[N@H+](C3CCNCC3)[C@@H]2C1 ZINC000409430326 343808065 /nfs/dbraw/zinc/80/80/65/343808065.db2.gz VFRJYNBGLZBNRG-WCQYABFASA-N 1 3 224.348 1.239 10 0 BDAEHO C1C[C@H]2COCCN(C3CC[NH2+]CC3)[C@@H]2C1 ZINC000409430326 343808067 /nfs/dbraw/zinc/80/80/67/343808067.db2.gz VFRJYNBGLZBNRG-WCQYABFASA-N 1 3 224.348 1.239 10 0 BDAEHO NCCC[N@H+](C1CC1)C1CCSCC1 ZINC000409435531 343833861 /nfs/dbraw/zinc/83/38/61/343833861.db2.gz VICRTUGAARGTPJ-UHFFFAOYSA-N 1 3 214.378 1.695 10 0 BDAEHO NCCC[N@@H+](C1CC1)C1CCSCC1 ZINC000409435531 343833862 /nfs/dbraw/zinc/83/38/62/343833862.db2.gz VICRTUGAARGTPJ-UHFFFAOYSA-N 1 3 214.378 1.695 10 0 BDAEHO [NH3+]CCCN(C1CC1)C1CCSCC1 ZINC000409435531 343833864 /nfs/dbraw/zinc/83/38/64/343833864.db2.gz VICRTUGAARGTPJ-UHFFFAOYSA-N 1 3 214.378 1.695 10 0 BDAEHO CS[C@@H]1CCC[C@H]1N1CCC([NH3+])CC1 ZINC000235233730 344852740 /nfs/dbraw/zinc/85/27/40/344852740.db2.gz XQUJUONLZGFRQJ-GHMZBOCLSA-N 1 3 214.378 1.694 10 0 BDAEHO CS[C@@H]1CCC[C@H]1[NH+]1CCC(N)CC1 ZINC000235233730 344852742 /nfs/dbraw/zinc/85/27/42/344852742.db2.gz XQUJUONLZGFRQJ-GHMZBOCLSA-N 1 3 214.378 1.694 10 0 BDAEHO C[C@H](N[C@@H](CO)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400748330 345727444 /nfs/dbraw/zinc/72/74/44/345727444.db2.gz UZFHLXSNXULGDQ-YUTCNCBUSA-N 1 3 240.391 1.515 10 0 BDAEHO C[C@@H]1CCCN(Cc2cncc(C[NH3+])c2)C1 ZINC000669379141 537976005 /nfs/dbraw/zinc/97/60/05/537976005.db2.gz UFJIJZHNIIKZLV-LLVKDONJSA-N 1 3 219.332 1.772 10 0 BDAEHO C[C@H]([NH2+]CC[C@H]1CCCCO1)[C@@H]1CCCNC1 ZINC000571157287 323136967 /nfs/dbraw/zinc/13/69/67/323136967.db2.gz BKFBDRVILPPKOP-BFHYXJOUSA-N 1 3 240.391 1.923 10 0 BDAEHO Cc1nccn1CC[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000049564883 180261756 /nfs/dbraw/zinc/26/17/56/180261756.db2.gz KGBAYEJPVACYRM-UONOGXRCSA-N 1 3 248.374 1.408 10 0 BDAEHO Cc1nccn1CCN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049564883 180261758 /nfs/dbraw/zinc/26/17/58/180261758.db2.gz KGBAYEJPVACYRM-UONOGXRCSA-N 1 3 248.374 1.408 10 0 BDAEHO Cc1nccn1CCN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049564883 180261761 /nfs/dbraw/zinc/26/17/61/180261761.db2.gz KGBAYEJPVACYRM-UONOGXRCSA-N 1 3 248.374 1.408 10 0 BDAEHO C[C@@H]1CCSCCN1C1CC([NH3+])C1 ZINC000306754708 350967108 /nfs/dbraw/zinc/96/71/08/350967108.db2.gz MWVVQIKDTDIVPR-XNWIYYODSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1CCSCC[N@@H+]1C1CC(N)C1 ZINC000306754708 350967110 /nfs/dbraw/zinc/96/71/10/350967110.db2.gz MWVVQIKDTDIVPR-XNWIYYODSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1CCSCC[N@H+]1C1CC(N)C1 ZINC000306754708 350967111 /nfs/dbraw/zinc/96/71/11/350967111.db2.gz MWVVQIKDTDIVPR-XNWIYYODSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H](OCCN(C)Cc1ccccc1)C(N)=[NH2+] ZINC000306758920 350969787 /nfs/dbraw/zinc/96/97/87/350969787.db2.gz UTVPJESRWAVGSP-LLVKDONJSA-N 1 3 235.331 1.459 10 0 BDAEHO [NH3+]CCN1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000616634002 351116367 /nfs/dbraw/zinc/11/63/67/351116367.db2.gz JVQAAPAKSKOJQS-LBPRGKRZSA-N 1 3 239.750 1.245 10 0 BDAEHO CS[C@H]1CC[N@@H+](C2CCNCC2)C1 ZINC000307232741 351687777 /nfs/dbraw/zinc/68/77/77/351687777.db2.gz DQXNRFBMLKMPRB-JTQLQIEISA-N 1 3 200.351 1.176 10 0 BDAEHO CS[C@H]1CC[N@H+](C2CCNCC2)C1 ZINC000307232741 351687780 /nfs/dbraw/zinc/68/77/80/351687780.db2.gz DQXNRFBMLKMPRB-JTQLQIEISA-N 1 3 200.351 1.176 10 0 BDAEHO CS[C@H]1CCN(C2CC[NH2+]CC2)C1 ZINC000307232741 351687783 /nfs/dbraw/zinc/68/77/83/351687783.db2.gz DQXNRFBMLKMPRB-JTQLQIEISA-N 1 3 200.351 1.176 10 0 BDAEHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC1CSC1 ZINC000307296364 351906062 /nfs/dbraw/zinc/90/60/62/351906062.db2.gz QSAJMHOYONZMBX-SCZZXKLOSA-N 1 3 200.351 1.032 10 0 BDAEHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC1CSC1 ZINC000307296364 351906066 /nfs/dbraw/zinc/90/60/66/351906066.db2.gz QSAJMHOYONZMBX-SCZZXKLOSA-N 1 3 200.351 1.032 10 0 BDAEHO COC(C)(C)[C@@H](C)N1CCC([NH3+])CC1 ZINC000300937860 363169201 /nfs/dbraw/zinc/16/92/01/363169201.db2.gz GCNCHFPLUAJCPV-SECBINFHSA-N 1 3 200.326 1.223 10 0 BDAEHO CC(C)N1CCN(Cc2ccccc2C[NH3+])CC1 ZINC000036170606 188112350 /nfs/dbraw/zinc/11/23/50/188112350.db2.gz GAPZAOFEXDKDHC-UHFFFAOYSA-N 1 3 247.386 1.671 10 0 BDAEHO C1C[NH2+][C@@H]([C@H]2CCCN(C3CCOCC3)C2)C1 ZINC000037916573 188115243 /nfs/dbraw/zinc/11/52/43/188115243.db2.gz PBTCLTWLCMQYDC-GXTWGEPZSA-N 1 3 238.375 1.629 10 0 BDAEHO CC(C)[C@H](CN(C)C)NC(=O)CCCCC[NH3+] ZINC000049220667 188124225 /nfs/dbraw/zinc/12/42/25/188124225.db2.gz LJDGWKSNOAXKHI-LBPRGKRZSA-N 1 3 243.395 1.208 10 0 BDAEHO C(C[C@@H]1CCC[NH2+]1)CN1CCN(C2CC2)CC1 ZINC000052764443 188126174 /nfs/dbraw/zinc/12/61/74/188126174.db2.gz HOSYVARVMJYRBB-ZDUSSCGKSA-N 1 3 237.391 1.299 10 0 BDAEHO C[NH2+]Cc1ccc(CN2CCSCC2)cc1 ZINC000052443264 188126359 /nfs/dbraw/zinc/12/63/59/188126359.db2.gz WIMWHNRESFLBIL-UHFFFAOYSA-N 1 3 236.384 1.955 10 0 BDAEHO CC(C)N(CC[NH2+]CCN(C)C)C(C)C ZINC000020039356 188175285 /nfs/dbraw/zinc/17/52/85/188175285.db2.gz XDVDNMZCWNTZNY-UHFFFAOYSA-N 1 3 215.385 1.256 10 0 BDAEHO CC(C)[NH+](CCNCCN(C)C)C(C)C ZINC000020039356 188175286 /nfs/dbraw/zinc/17/52/86/188175286.db2.gz XDVDNMZCWNTZNY-UHFFFAOYSA-N 1 3 215.385 1.256 10 0 BDAEHO C[C@H](CCCO)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000582175388 355577434 /nfs/dbraw/zinc/57/74/34/355577434.db2.gz CURQQHGGNRPGRM-JHJVBQTASA-N 1 3 228.380 1.373 10 0 BDAEHO C[C@H]1CSCCN1CC1(C[NH3+])CCC1 ZINC000168550310 356116621 /nfs/dbraw/zinc/11/66/21/356116621.db2.gz ICTNEFRYIOQLAD-JTQLQIEISA-N 1 3 214.378 1.553 10 0 BDAEHO C[C@H]1CSCC[N@@H+]1CC1(CN)CCC1 ZINC000168550310 356116627 /nfs/dbraw/zinc/11/66/27/356116627.db2.gz ICTNEFRYIOQLAD-JTQLQIEISA-N 1 3 214.378 1.553 10 0 BDAEHO C[C@H]1CSCC[N@H+]1CC1(CN)CCC1 ZINC000168550310 356116630 /nfs/dbraw/zinc/11/66/30/356116630.db2.gz ICTNEFRYIOQLAD-JTQLQIEISA-N 1 3 214.378 1.553 10 0 BDAEHO C[C@@H]1COC[C@H](C)N1CC[C@H]1CC[NH2+]C1 ZINC000420296786 192205840 /nfs/dbraw/zinc/20/58/40/192205840.db2.gz DWUOIMBEPWCZML-GRYCIOLGSA-N 1 3 212.337 1.095 10 0 BDAEHO [NH3+][C@H]1C=C(C[C@H]2CCCC2(F)F)CNC1 ZINC000675079003 538517124 /nfs/dbraw/zinc/51/71/24/538517124.db2.gz URNNAOKQCKSRIQ-ZJUUUORDSA-N 1 3 216.275 1.669 10 0 BDAEHO CCC[C@H](C(=O)NCC[N@H+](C)C(C)C)N(C)C ZINC000130763937 325085393 /nfs/dbraw/zinc/08/53/93/325085393.db2.gz UAWXLFNAJLXSFO-GFCCVEGCSA-N 1 3 243.395 1.173 10 0 BDAEHO CCC[C@H](C(=O)NCC[N@@H+](C)C(C)C)N(C)C ZINC000130763937 325085398 /nfs/dbraw/zinc/08/53/98/325085398.db2.gz UAWXLFNAJLXSFO-GFCCVEGCSA-N 1 3 243.395 1.173 10 0 BDAEHO CCOC[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000389568225 356992522 /nfs/dbraw/zinc/99/25/22/356992522.db2.gz ASIJJRDFRXWWHR-GRYCIOLGSA-N 1 3 214.353 1.328 10 0 BDAEHO CCOC[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000389568225 356992526 /nfs/dbraw/zinc/99/25/26/356992526.db2.gz ASIJJRDFRXWWHR-GRYCIOLGSA-N 1 3 214.353 1.328 10 0 BDAEHO CCOC[C@@H](N[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000233750120 357743766 /nfs/dbraw/zinc/74/37/66/357743766.db2.gz GPJWIWIEMHKMDJ-CHWSQXEVSA-N 1 3 228.380 1.779 10 0 BDAEHO CCOC[C@@H]([NH2+][C@@H]1CCCNCC1)C(C)C ZINC000233750120 357743771 /nfs/dbraw/zinc/74/37/71/357743771.db2.gz GPJWIWIEMHKMDJ-CHWSQXEVSA-N 1 3 228.380 1.779 10 0 BDAEHO COC[C@@H](CCC[NH3+])N[C@H](C)c1ccc(C)o1 ZINC000234750254 357834346 /nfs/dbraw/zinc/83/43/46/357834346.db2.gz JGINEWINQCGPLN-VXGBXAGGSA-N 1 3 240.347 1.993 10 0 BDAEHO C[C@@H]1SCC[C@H]1[N@@H+]1CC[C@H](CN)C1 ZINC000300351525 358970874 /nfs/dbraw/zinc/97/08/74/358970874.db2.gz BESFMCGULWDRIF-IVZWLZJFSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1SCC[C@H]1[N@H+]1CC[C@H](CN)C1 ZINC000300351525 358970879 /nfs/dbraw/zinc/97/08/79/358970879.db2.gz BESFMCGULWDRIF-IVZWLZJFSA-N 1 3 200.351 1.161 10 0 BDAEHO CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](N)C2)C1 ZINC000300390109 358987829 /nfs/dbraw/zinc/98/78/29/358987829.db2.gz RDKWSXCYWIIKCR-VPOLOUISSA-N 1 3 214.378 1.740 10 0 BDAEHO C[C@H](O)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491762 360251317 /nfs/dbraw/zinc/25/13/17/360251317.db2.gz VAPPPIZMCHURJU-RFQIPJPRSA-N 1 3 240.391 1.658 10 0 BDAEHO CC[C@](C)([C@H](C)N)[N@@H+]1CCSC[C@H]1C ZINC000306602765 360528875 /nfs/dbraw/zinc/52/88/75/360528875.db2.gz WJHPXLCMENZPCW-OUAUKWLOSA-N 1 3 216.394 1.940 10 0 BDAEHO CC[C@](C)([C@H](C)N)[N@H+]1CCSC[C@H]1C ZINC000306602765 360528880 /nfs/dbraw/zinc/52/88/80/360528880.db2.gz WJHPXLCMENZPCW-OUAUKWLOSA-N 1 3 216.394 1.940 10 0 BDAEHO C[C@H]([NH2+]CCC[C@@H]1CCOC1)[C@@H]1CCCNC1 ZINC000579342241 366761585 /nfs/dbraw/zinc/76/15/85/366761585.db2.gz ZDWBVOHAUYWEEP-BFHYXJOUSA-N 1 3 240.391 1.781 10 0 BDAEHO C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000629550540 361443113 /nfs/dbraw/zinc/44/31/13/361443113.db2.gz ZCDHDJWSMSSQET-RYDUCSDGSA-N 1 3 224.348 1.142 10 0 BDAEHO [NH3+]C1CCC(NCC(=O)c2cccs2)CC1 ZINC000095072133 181341123 /nfs/dbraw/zinc/34/11/23/181341123.db2.gz SGLJTTMBSZYKFG-UHFFFAOYSA-N 1 3 238.356 1.790 10 0 BDAEHO [NH3+]C1CCC(OCCN2CCCCC2)CC1 ZINC000055142816 181342497 /nfs/dbraw/zinc/34/24/97/181342497.db2.gz SXZWHAMVECDDFO-UHFFFAOYSA-N 1 3 226.364 1.759 10 0 BDAEHO CC[C@H](C)CN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630359392 364078815 /nfs/dbraw/zinc/07/88/15/364078815.db2.gz CTJSPKXEPPLGQS-TUAOUCFPSA-N 1 3 214.353 1.471 10 0 BDAEHO NCC1(C[N@@H+]2CCCC[C@H]2CO)CCCC1 ZINC000051256740 181358489 /nfs/dbraw/zinc/35/84/89/181358489.db2.gz TZRTZRWBGWLNSW-LBPRGKRZSA-N 1 3 226.364 1.352 10 0 BDAEHO NCC1(C[N@H+]2CCCC[C@H]2CO)CCCC1 ZINC000051256740 181358491 /nfs/dbraw/zinc/35/84/91/181358491.db2.gz TZRTZRWBGWLNSW-LBPRGKRZSA-N 1 3 226.364 1.352 10 0 BDAEHO [NH3+]CC1(CN2CCC(CO)CC2)CCCC1 ZINC000051205937 181358747 /nfs/dbraw/zinc/35/87/47/181358747.db2.gz HYCHXOVBWYXDIY-UHFFFAOYSA-N 1 3 226.364 1.210 10 0 BDAEHO C[C@@H]([NH2+]CC[C@H](C)F)[C@H]1CCCNC1 ZINC000573830809 364926375 /nfs/dbraw/zinc/92/63/75/364926375.db2.gz CIBMVDYSMZREAX-AXFHLTTASA-N 1 3 202.317 1.712 10 0 BDAEHO C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1CN ZINC000631836572 369077753 /nfs/dbraw/zinc/07/77/53/369077753.db2.gz BRMDMPLBFBSPFJ-POQQGIQPSA-N 1 3 222.376 1.949 10 0 BDAEHO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1CN ZINC000631836572 369077756 /nfs/dbraw/zinc/07/77/56/369077756.db2.gz BRMDMPLBFBSPFJ-POQQGIQPSA-N 1 3 222.376 1.949 10 0 BDAEHO C[C@H]1CN(CCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000631839842 369186187 /nfs/dbraw/zinc/18/61/87/369186187.db2.gz LPPJVGODMSWIEA-UONOGXRCSA-N 1 3 248.370 1.982 10 0 BDAEHO C[C@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1CN ZINC000631839842 369186191 /nfs/dbraw/zinc/18/61/91/369186191.db2.gz LPPJVGODMSWIEA-UONOGXRCSA-N 1 3 248.370 1.982 10 0 BDAEHO C[C@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1CN ZINC000631839842 369186196 /nfs/dbraw/zinc/18/61/96/369186196.db2.gz LPPJVGODMSWIEA-UONOGXRCSA-N 1 3 248.370 1.982 10 0 BDAEHO C[C@@H]1SCCN(CC(C)(C)C[NH3+])[C@H]1C ZINC000132516681 371847062 /nfs/dbraw/zinc/84/70/62/371847062.db2.gz IMUVDYHGCWHFGV-UWVGGRQHSA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@@H]1SCC[N@H+](CC(C)(C)CN)[C@H]1C ZINC000132516681 371847069 /nfs/dbraw/zinc/84/70/69/371847069.db2.gz IMUVDYHGCWHFGV-UWVGGRQHSA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@@H]1SCC[N@@H+](CC(C)(C)CN)[C@H]1C ZINC000132516681 371847075 /nfs/dbraw/zinc/84/70/75/371847075.db2.gz IMUVDYHGCWHFGV-UWVGGRQHSA-N 1 3 216.394 1.797 10 0 BDAEHO CO[C@@]1(C)CCC[N@H+](CC(C)(C)N)C1 ZINC000230270893 371880221 /nfs/dbraw/zinc/88/02/21/371880221.db2.gz DFFSWTFVAMZSRZ-NSHDSACASA-N 1 3 200.326 1.225 10 0 BDAEHO CO[C@@]1(C)CCC[N@@H+](CC(C)(C)N)C1 ZINC000230270893 371880227 /nfs/dbraw/zinc/88/02/27/371880227.db2.gz DFFSWTFVAMZSRZ-NSHDSACASA-N 1 3 200.326 1.225 10 0 BDAEHO C[C@H](C[NH3+])CN1CCSC(C)(C)C1 ZINC000133276483 372017654 /nfs/dbraw/zinc/01/76/54/372017654.db2.gz FEWVIRLUUBVGRT-SECBINFHSA-N 1 3 202.367 1.409 10 0 BDAEHO C[C@@H]1CSCC[N@@H+](C2CCNCC2)C1 ZINC000306599576 372042852 /nfs/dbraw/zinc/04/28/52/372042852.db2.gz RUHOUDHOECJSIM-JTQLQIEISA-N 1 3 214.378 1.423 10 0 BDAEHO C[C@@H]1CSCC[N@H+](C2CCNCC2)C1 ZINC000306599576 372042858 /nfs/dbraw/zinc/04/28/58/372042858.db2.gz RUHOUDHOECJSIM-JTQLQIEISA-N 1 3 214.378 1.423 10 0 BDAEHO C[C@@H]1CSCCN(C2CC[NH2+]CC2)C1 ZINC000306599576 372042862 /nfs/dbraw/zinc/04/28/62/372042862.db2.gz RUHOUDHOECJSIM-JTQLQIEISA-N 1 3 214.378 1.423 10 0 BDAEHO CC[C@@H]1CCN([C@@]2(C[NH3+])CCSC2)C1 ZINC000228679544 372067302 /nfs/dbraw/zinc/06/73/02/372067302.db2.gz OAHFLOUFYOMSIH-GHMZBOCLSA-N 1 3 214.378 1.553 10 0 BDAEHO C([C@H]1CSCCS1)[N@@H+]1CCCNCC1 ZINC000229652286 372177339 /nfs/dbraw/zinc/17/73/39/372177339.db2.gz SSZKAYMTGOLEAW-JTQLQIEISA-N 1 3 232.418 1.130 10 0 BDAEHO C([C@H]1CSCCS1)[N@H+]1CCCNCC1 ZINC000229652286 372177345 /nfs/dbraw/zinc/17/73/45/372177345.db2.gz SSZKAYMTGOLEAW-JTQLQIEISA-N 1 3 232.418 1.130 10 0 BDAEHO C[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1CN ZINC000631837793 372629164 /nfs/dbraw/zinc/62/91/64/372629164.db2.gz WYEZSTRLFDTPHY-VWYCJHECSA-N 1 3 232.318 1.948 10 0 BDAEHO C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1CN ZINC000631837793 372629172 /nfs/dbraw/zinc/62/91/72/372629172.db2.gz WYEZSTRLFDTPHY-VWYCJHECSA-N 1 3 232.318 1.948 10 0 BDAEHO O[C@H]1CCNC[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000096964632 183241301 /nfs/dbraw/zinc/24/13/01/183241301.db2.gz AIBVRLNMXJWLIX-LSDHHAIUSA-N 1 3 246.354 1.233 10 0 BDAEHO O[C@H]1CCNC[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000096964632 183241303 /nfs/dbraw/zinc/24/13/03/183241303.db2.gz AIBVRLNMXJWLIX-LSDHHAIUSA-N 1 3 246.354 1.233 10 0 BDAEHO CCCN1CCN([C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037157877 169205247 /nfs/dbraw/zinc/20/52/47/169205247.db2.gz HLDHSCJGRDNIPD-OLZOCXBDSA-N 1 3 225.380 1.141 10 0 BDAEHO CCC[NH+]1CCC(NC2=N[C@H](C)CS2)CC1 ZINC000049559147 169188039 /nfs/dbraw/zinc/18/80/39/169188039.db2.gz DAISJRQGGOHKCL-SNVBAGLBSA-N 1 3 241.404 1.942 10 0 BDAEHO CCCN1CCC(NC2=[NH+]CCCS2)CC1 ZINC000049559139 169188388 /nfs/dbraw/zinc/18/83/88/169188388.db2.gz MEDRXYFTSRHPCA-UHFFFAOYSA-N 1 3 241.404 1.943 10 0 BDAEHO CCCN1CCN([C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052421749 169202621 /nfs/dbraw/zinc/20/26/21/169202621.db2.gz ZNRVHVDEOAZNGL-ZDUSSCGKSA-N 1 3 241.423 1.791 10 0 BDAEHO CCCN1CCN(C[C@@H](C)[NH2+]CC)CC1 ZINC000044471613 169203581 /nfs/dbraw/zinc/20/35/81/169203581.db2.gz GNXQSVYFTTZXDA-GFCCVEGCSA-N 1 3 213.369 1.012 10 0 BDAEHO CCCN1CCN([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000019405914 169203854 /nfs/dbraw/zinc/20/38/54/169203854.db2.gz QFEWKKWUCUACPO-QWHCGFSZSA-N 1 3 225.380 1.284 10 0 BDAEHO CCC[NH2+][C@H](C)[C@H](C)N1CCN(CCC)CC1 ZINC000043805686 169286157 /nfs/dbraw/zinc/28/61/57/169286157.db2.gz FRGOUORTRKZJSX-KGLIPLIRSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+][C@@H](C)[C@H](C)N1CCN(CCC)CC1 ZINC000043805685 169275769 /nfs/dbraw/zinc/27/57/69/169275769.db2.gz FRGOUORTRKZJSX-KBPBESRZSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[C@@H](CN(C)[C@@H]1CCCN(C)C1)[NH2+]CC ZINC000053244759 169382781 /nfs/dbraw/zinc/38/27/81/169382781.db2.gz FIBFEIAETJSOKY-UONOGXRCSA-N 1 3 241.423 1.791 10 0 BDAEHO CCOCCN[C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000036908718 383921849 /nfs/dbraw/zinc/92/18/49/383921849.db2.gz BOMXMNITEGNHQL-SRVKXCTJSA-N 1 3 214.353 1.341 10 0 BDAEHO CCOCCN[C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000036908718 383921865 /nfs/dbraw/zinc/92/18/65/383921865.db2.gz BOMXMNITEGNHQL-SRVKXCTJSA-N 1 3 214.353 1.341 10 0 BDAEHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C(C)(C)O ZINC000564823376 384657895 /nfs/dbraw/zinc/65/78/95/384657895.db2.gz OWFHKBLJBACOTL-TUAOUCFPSA-N 1 3 228.380 1.514 10 0 BDAEHO C[C@H](NCCOC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000564824702 384681811 /nfs/dbraw/zinc/68/18/11/384681811.db2.gz PUGUPOBOHVZACN-QWHCGFSZSA-N 1 3 240.391 1.923 10 0 BDAEHO C[C@H]([NH2+]CCOC1CCCC1)[C@@H]1CCCNC1 ZINC000564824702 384681820 /nfs/dbraw/zinc/68/18/20/384681820.db2.gz PUGUPOBOHVZACN-QWHCGFSZSA-N 1 3 240.391 1.923 10 0 BDAEHO COC[C@H]([NH2+][C@H]1CCC[C@H]1CN)C1CC1 ZINC000397254888 385415817 /nfs/dbraw/zinc/41/58/17/385415817.db2.gz QQLGEFZSLOLMNT-SRVKXCTJSA-N 1 3 212.337 1.128 10 0 BDAEHO C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)CN(C)C ZINC000336689877 385719038 /nfs/dbraw/zinc/71/90/38/385719038.db2.gz MHEYRQIYIZATLX-GRYCIOLGSA-N 1 3 214.353 1.199 10 0 BDAEHO CC1CCC(CN(C)C[C@H](O)C[NH3+])CC1 ZINC000336759677 168153051 /nfs/dbraw/zinc/15/30/51/168153051.db2.gz LKBBAVMHBDUKMY-HTAVTVPLSA-N 1 3 214.353 1.064 10 0 BDAEHO [NH3+]CCCC[C@@H]([NH3+])c1ccc([O-])c(F)c1 ZINC000575439000 387121706 /nfs/dbraw/zinc/12/17/06/387121706.db2.gz PWMSVZSMSBIFNG-SNVBAGLBSA-N 1 3 212.268 1.660 10 0 BDAEHO CC(C)n1cc([C@@H]2NCC23CC[NH2+]CC3)cn1 ZINC000536957067 387170589 /nfs/dbraw/zinc/17/05/89/387170589.db2.gz BASUOQSUHZOQGG-LBPRGKRZSA-N 1 3 234.347 1.478 10 0 BDAEHO C[C@H]1OCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000120260192 387178729 /nfs/dbraw/zinc/17/87/29/387178729.db2.gz YMSOLVLADSQKEY-FDYHWXHSSA-N 1 3 224.348 1.380 10 0 BDAEHO C[C@H]1OCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000120260192 387178736 /nfs/dbraw/zinc/17/87/36/387178736.db2.gz YMSOLVLADSQKEY-FDYHWXHSSA-N 1 3 224.348 1.380 10 0 BDAEHO CC1(C)CNCC[C@H]1[NH2+]C1CSC1 ZINC000575546886 387634908 /nfs/dbraw/zinc/63/49/08/387634908.db2.gz WDJVCGYPVDDTAL-SECBINFHSA-N 1 3 200.351 1.080 10 0 BDAEHO CS[C@H]1CC[C@H]1N1CCC([NH3+])CC1 ZINC000575567218 387736295 /nfs/dbraw/zinc/73/62/95/387736295.db2.gz YRYHOBLVIAWDAM-ZJUUUORDSA-N 1 3 200.351 1.304 10 0 BDAEHO c1ccc(CCCC[NH2+][C@@H]2CCNC2)cc1 ZINC000643458376 387826220 /nfs/dbraw/zinc/82/62/20/387826220.db2.gz SYBRLYNSDQDJSU-CQSZACIVSA-N 1 3 218.344 1.961 10 0 BDAEHO FC(F)(F)CSCC[NH2+]C1CCNCC1 ZINC000423014387 387839015 /nfs/dbraw/zinc/83/90/15/387839015.db2.gz IHMXCQJCXWEBNP-UHFFFAOYSA-N 1 3 242.310 1.624 10 0 BDAEHO FC(F)(F)CSCCNC1CC[NH2+]CC1 ZINC000423014387 387839019 /nfs/dbraw/zinc/83/90/19/387839019.db2.gz IHMXCQJCXWEBNP-UHFFFAOYSA-N 1 3 242.310 1.624 10 0 BDAEHO CCCCOCCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000573082346 388418418 /nfs/dbraw/zinc/41/84/18/388418418.db2.gz RUMHNZWUZDGMAN-STQMWFEESA-N 1 3 228.380 1.781 10 0 BDAEHO CCCCOCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000573082346 388418420 /nfs/dbraw/zinc/41/84/20/388418420.db2.gz RUMHNZWUZDGMAN-STQMWFEESA-N 1 3 228.380 1.781 10 0 BDAEHO C[C@H](N[C@@H]1CCCSC1)[C@H]1CC[NH2+]C1 ZINC000307227389 388422033 /nfs/dbraw/zinc/42/20/33/388422033.db2.gz DLKPQKAYOJNJCX-GARJFASQSA-N 1 3 214.378 1.470 10 0 BDAEHO CC[C@@H]([NH2+]CCOCCN(C)C)[C@@H]1CC1(C)C ZINC000397637305 388485904 /nfs/dbraw/zinc/48/59/04/388485904.db2.gz XKRKLGFLFMQMLR-QWHCGFSZSA-N 1 3 242.407 1.979 10 0 BDAEHO CCN(CC)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566089604 388986441 /nfs/dbraw/zinc/98/64/41/388986441.db2.gz VOOCMBUFWYKNQI-QWHCGFSZSA-N 1 3 227.396 1.306 10 0 BDAEHO C[C@H](N[C@@H]1COCC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000566088988 388986795 /nfs/dbraw/zinc/98/67/95/388986795.db2.gz XZEAJAATBPJTHD-SDDRHHMPSA-N 1 3 226.364 1.389 10 0 BDAEHO C[C@H]([NH2+][C@@H]1COCC1(C)C)[C@H]1CCCNC1 ZINC000566088988 388986796 /nfs/dbraw/zinc/98/67/96/388986796.db2.gz XZEAJAATBPJTHD-SDDRHHMPSA-N 1 3 226.364 1.389 10 0 BDAEHO NCc1cc(Cl)ccc1N1CC[NH2+]CC1 ZINC000052861003 132362751 /nfs/dbraw/zinc/36/27/51/132362751.db2.gz KCZASKBICHLGML-UHFFFAOYSA-N 1 3 225.723 1.208 10 0 BDAEHO C[C@@H](NCC1(CO)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400576499 533359678 /nfs/dbraw/zinc/35/96/78/533359678.db2.gz PEHCBNUAYGVQEI-VXGBXAGGSA-N 1 3 226.364 1.127 10 0 BDAEHO C(N[C@H]1CCC12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000335497780 533372285 /nfs/dbraw/zinc/37/22/85/533372285.db2.gz ZDLHTBXYWYHHDF-NEPJUHHUSA-N 1 3 208.349 1.908 10 0 BDAEHO OCCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250835469 135060145 /nfs/dbraw/zinc/06/01/45/135060145.db2.gz KRYRYTARVGMLCE-JHJVBQTASA-N 1 3 226.364 1.269 10 0 BDAEHO CC[C@H](COC)[NH2+][C@@H]1CCC[C@H]1CN ZINC000251030733 135061958 /nfs/dbraw/zinc/06/19/58/135061958.db2.gz AFORADNUJQKUDK-HBNTYKKESA-N 1 3 200.326 1.128 10 0 BDAEHO C[C@H](O)CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000251254682 135066931 /nfs/dbraw/zinc/06/69/31/135066931.db2.gz VAPPPIZMCHURJU-IGQOVBAYSA-N 1 3 240.391 1.658 10 0 BDAEHO COC[C@H]([NH2+][C@H]1CCC[C@H]1CN)C(C)C ZINC000251271589 135068188 /nfs/dbraw/zinc/06/81/88/135068188.db2.gz BXTGYDZMDGHJEQ-SRVKXCTJSA-N 1 3 214.353 1.374 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CC[C@@H](N(C)C)C1)[C@H]1CCOC1 ZINC000252730158 135103814 /nfs/dbraw/zinc/10/38/14/135103814.db2.gz KATGBLLHJQNQQZ-WUHRBBMRSA-N 1 3 226.364 1.484 10 0 BDAEHO CCC1(C[NH2+][C@H]2CCNC[C@H]2C)CCOCC1 ZINC000261544977 135186010 /nfs/dbraw/zinc/18/60/10/135186010.db2.gz FLLJQPJDYLIEQN-OLZOCXBDSA-N 1 3 240.391 1.781 10 0 BDAEHO O[C@H]1CNC[C@@H]1C[NH2+]C1CCCCCCC1 ZINC000263174551 135336886 /nfs/dbraw/zinc/33/68/86/135336886.db2.gz GCNPCOBREUASSK-YPMHNXCESA-N 1 3 226.364 1.269 10 0 BDAEHO O[C@H]1C[NH2+]C[C@@H]1CNC1CCCCCCC1 ZINC000263174551 135336888 /nfs/dbraw/zinc/33/68/88/135336888.db2.gz GCNPCOBREUASSK-YPMHNXCESA-N 1 3 226.364 1.269 10 0 BDAEHO O[C@@H]1CNC[C@@H]1C[NH2+]C1CCCCCCC1 ZINC000263174549 135337286 /nfs/dbraw/zinc/33/72/86/135337286.db2.gz GCNPCOBREUASSK-DGCLKSJQSA-N 1 3 226.364 1.269 10 0 BDAEHO O[C@@H]1C[NH2+]C[C@@H]1CNC1CCCCCCC1 ZINC000263174549 135337287 /nfs/dbraw/zinc/33/72/87/135337287.db2.gz GCNPCOBREUASSK-DGCLKSJQSA-N 1 3 226.364 1.269 10 0 BDAEHO CC(C)[N@@H+]1CC[C@](CN)(N2CCCCC2)C1 ZINC000045658405 167027471 /nfs/dbraw/zinc/02/74/71/167027471.db2.gz TUJVHFMVCOTKCI-CYBMUJFWSA-N 1 3 225.380 1.284 10 0 BDAEHO CC(C)[N@H+]1CC[C@](CN)(N2CCCCC2)C1 ZINC000045658405 167027472 /nfs/dbraw/zinc/02/74/72/167027472.db2.gz TUJVHFMVCOTKCI-CYBMUJFWSA-N 1 3 225.380 1.284 10 0 BDAEHO CC(C)[NH2+]CCC(=O)N[C@@H](CN(C)C)C(C)C ZINC000049221271 167099495 /nfs/dbraw/zinc/09/94/95/167099495.db2.gz VRGVQJQVTKVFEF-LBPRGKRZSA-N 1 3 243.395 1.077 10 0 BDAEHO CC(C)[NH2+]CCN(C)C1CCN(C)CC1 ZINC000037477262 167102509 /nfs/dbraw/zinc/10/25/09/167102509.db2.gz JTDXTOKQQKDNMF-UHFFFAOYSA-N 1 3 213.369 1.010 10 0 BDAEHO CC(C)[NH2+]C[C@@H]1CCN([C@@H]2CCN(C)C2)C1 ZINC000053031652 167112658 /nfs/dbraw/zinc/11/26/58/167112658.db2.gz PPAWVMOHGZEENO-QWHCGFSZSA-N 1 3 225.380 1.010 10 0 BDAEHO C[C@H](c1ccncc1)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000310529302 411241399 /nfs/dbraw/zinc/24/13/99/411241399.db2.gz PMPMTZOGJQEVEJ-YXCITZCRSA-N 1 3 231.343 1.812 10 0 BDAEHO C[C@H](c1ccncc1)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310529301 411241407 /nfs/dbraw/zinc/24/14/07/411241407.db2.gz PMPMTZOGJQEVEJ-VZZFWQQMSA-N 1 3 231.343 1.812 10 0 BDAEHO C[C@H]1CN(CCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000050952282 411269749 /nfs/dbraw/zinc/26/97/49/411269749.db2.gz JFWYGUYIMQQCRF-STQMWFEESA-N 1 3 240.391 1.875 10 0 BDAEHO CC[N@@H+]1CC[C@H](CNc2ccncc2)C1 ZINC000037484459 170016283 /nfs/dbraw/zinc/01/62/83/170016283.db2.gz WALQZMUINKBDNS-LLVKDONJSA-N 1 3 205.305 1.835 10 0 BDAEHO CC[N@H+]1CC[C@H](CNc2ccncc2)C1 ZINC000037484459 170016285 /nfs/dbraw/zinc/01/62/85/170016285.db2.gz WALQZMUINKBDNS-LLVKDONJSA-N 1 3 205.305 1.835 10 0 BDAEHO CC[NH2+]CCC[C@H](C)N1CCN(C(C)C)CC1 ZINC000052480090 170112711 /nfs/dbraw/zinc/11/27/11/170112711.db2.gz FTPLMZURQHVLGU-AWEZNQCLSA-N 1 3 241.423 1.791 10 0 BDAEHO CC[NH2+]CC[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055083086 170116245 /nfs/dbraw/zinc/11/62/45/170116245.db2.gz ZGBDSAKQUWIZKT-CQSZACIVSA-N 1 3 241.423 1.648 10 0 BDAEHO CC[NH2+]C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC000095091544 170119999 /nfs/dbraw/zinc/11/99/99/170119999.db2.gz NDTHGBXTJCOSAV-GJZGRUSLSA-N 1 3 248.370 1.479 10 0 BDAEHO CC[NH2+]C[C@H](O)CN(C)C1CCC(CC)CC1 ZINC000042515657 170121574 /nfs/dbraw/zinc/12/15/74/170121574.db2.gz WILPMBIEGZTDCU-RUXDESIVSA-N 1 3 242.407 1.857 10 0 BDAEHO CCOC(=O)CC[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037904596 170209196 /nfs/dbraw/zinc/20/91/96/170209196.db2.gz AGANSZJLCXYVFX-NSHDSACASA-N 1 3 240.347 1.014 10 0 BDAEHO CCOC(=O)CCNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904596 170209197 /nfs/dbraw/zinc/20/91/97/170209197.db2.gz AGANSZJLCXYVFX-NSHDSACASA-N 1 3 240.347 1.014 10 0 BDAEHO CCOC(=O)CCNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904596 170209198 /nfs/dbraw/zinc/20/91/98/170209198.db2.gz AGANSZJLCXYVFX-NSHDSACASA-N 1 3 240.347 1.014 10 0 BDAEHO CCOC1CC[NH+]([C@H]2CCC[C@@H]2N)CC1 ZINC000040689309 170332989 /nfs/dbraw/zinc/33/29/89/170332989.db2.gz VHXCRSYSYGZXKK-RYUDHWBXSA-N 1 3 212.337 1.367 10 0 BDAEHO CC[C@@H]1CSC(NC[C@@H]2CC[N@H+](C)C2)=N1 ZINC000037485227 171113674 /nfs/dbraw/zinc/11/36/74/171113674.db2.gz VEQKCBCEPTVWLU-VHSXEESVSA-N 1 3 227.377 1.409 10 0 BDAEHO CC[C@@H]1CSC(NC[C@@H]2CC[N@@H+](C)C2)=N1 ZINC000037485227 171113677 /nfs/dbraw/zinc/11/36/77/171113677.db2.gz VEQKCBCEPTVWLU-VHSXEESVSA-N 1 3 227.377 1.409 10 0 BDAEHO CC[C@H](C)N1CCN(CC[NH2+]CC2CC2)CC1 ZINC000055075119 171318515 /nfs/dbraw/zinc/31/85/15/171318515.db2.gz WEGMLWGWQFIHPG-ZDUSSCGKSA-N 1 3 239.407 1.402 10 0 BDAEHO CC[C@H](C)[NH2+]C[C@H](C)N1CCN(C)C(C)(C)C1 ZINC000104140322 171342078 /nfs/dbraw/zinc/34/20/78/171342078.db2.gz ARMKHAYPRNYPTO-STQMWFEESA-N 1 3 241.423 1.789 10 0 BDAEHO CC[C@H](C)[C@@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055077881 171368908 /nfs/dbraw/zinc/36/89/08/171368908.db2.gz CUNLQWHDYCYHNY-UONOGXRCSA-N 1 3 241.423 1.633 10 0 BDAEHO CC[C@H](C)[C@H]([NH3+])CN(CCN(C)C)CC(C)C ZINC000042781877 171396344 /nfs/dbraw/zinc/39/63/44/171396344.db2.gz MIFDJGFPGLPQOV-UONOGXRCSA-N 1 3 243.439 1.879 10 0 BDAEHO C[C@H](N[C@H]1CCN(C(C)(C)C)C1)[C@H]1CC[NH2+]C1 ZINC000665236911 412177268 /nfs/dbraw/zinc/17/72/68/412177268.db2.gz WHVFBWJWBNQOHF-AVGNSLFASA-N 1 3 239.407 1.447 10 0 BDAEHO C[C@@H](NCCc1ccoc1)[C@H]1CCC[NH2+]C1 ZINC000665263508 412207174 /nfs/dbraw/zinc/20/71/74/412207174.db2.gz NPEWZSQROQEMNO-YPMHNXCESA-N 1 3 222.332 1.800 10 0 BDAEHO C[C@@H](NC[C@H]1CCC[C@@H](C)O1)[C@H]1CC[NH2+]C1 ZINC000665265364 412208604 /nfs/dbraw/zinc/20/86/04/412208604.db2.gz WGMNKMFAZXKHIY-FVCCEPFGSA-N 1 3 226.364 1.532 10 0 BDAEHO CO[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000665276128 412219414 /nfs/dbraw/zinc/21/94/14/412219414.db2.gz YWAXWVCVNILZBX-IACUBPJLSA-N 1 3 240.391 1.779 10 0 BDAEHO C[NH+](C)CCn1cccc1[C@H](N)[C@@H]1CCCO1 ZINC000011848804 172480540 /nfs/dbraw/zinc/48/05/40/172480540.db2.gz LFSUZAFAKHQISJ-STQMWFEESA-N 1 3 237.347 1.229 10 0 BDAEHO CN1CCCN(CC[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000054027329 173014781 /nfs/dbraw/zinc/01/47/81/173014781.db2.gz SAIRNYFOFVUHDD-GFCCVEGCSA-N 1 3 227.396 1.387 10 0 BDAEHO CN1CCN([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000037157155 173095047 /nfs/dbraw/zinc/09/50/47/173095047.db2.gz STUWIXWQZVSGGK-OLZOCXBDSA-N 1 3 225.380 1.141 10 0 BDAEHO C[N@@H+]1CC[C@H](CNC2=NC(C)(C)CS2)C1 ZINC000037485232 173147215 /nfs/dbraw/zinc/14/72/15/173147215.db2.gz DFOUJHIPOSSOSD-SECBINFHSA-N 1 3 227.377 1.409 10 0 BDAEHO C[N@H+]1CC[C@H](CNC2=NC(C)(C)CS2)C1 ZINC000037485232 173147216 /nfs/dbraw/zinc/14/72/16/173147216.db2.gz DFOUJHIPOSSOSD-SECBINFHSA-N 1 3 227.377 1.409 10 0 BDAEHO C[NH2+]C[C@@H](C(C)C)N1CCN(C(C)(C)C)CC1 ZINC000052571550 173361862 /nfs/dbraw/zinc/36/18/62/173361862.db2.gz JGUMHXUEHVZNHP-ZDUSSCGKSA-N 1 3 241.423 1.647 10 0 BDAEHO COC1CCN(C[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000053866142 174029330 /nfs/dbraw/zinc/02/93/30/174029330.db2.gz ASXHVSKJBQEIPT-ZYHUDNBSSA-N 1 3 212.337 1.225 10 0 BDAEHO COCC[NH2+]CCCCN1C[C@H](C)OC[C@H]1C ZINC000053499147 174332231 /nfs/dbraw/zinc/33/22/31/174332231.db2.gz SDDAPVXULRITRW-OLZOCXBDSA-N 1 3 244.379 1.112 10 0 BDAEHO COCC[C@@H](C)[NH2+][C@H]1CCCNCC1 ZINC000160685191 174386424 /nfs/dbraw/zinc/38/64/24/174386424.db2.gz SJMJJQHHCJUTCY-MNOVXSKESA-N 1 3 200.326 1.143 10 0 BDAEHO COc1ccc2c(c1)nccc2NCC[NH3+] ZINC000019721370 175205573 /nfs/dbraw/zinc/20/55/73/175205573.db2.gz UZYGRPKEIPMAGS-UHFFFAOYSA-N 1 3 217.272 1.614 10 0 BDAEHO COc1ccc2nc(N)n(CCC[NH+](C)C)c2c1 ZINC000013675163 175228466 /nfs/dbraw/zinc/22/84/66/175228466.db2.gz DFLWHTNLBWYQGM-UHFFFAOYSA-N 1 3 248.330 1.579 10 0 BDAEHO COc1ccccc1OCCNCCC[NH3+] ZINC000074339270 175341246 /nfs/dbraw/zinc/34/12/46/175341246.db2.gz UQVRJZRJJIHNBJ-UHFFFAOYSA-N 1 3 224.304 1.012 10 0 BDAEHO C[C@@H]1CCC[N@@H+]1Cc1cccnc1CN ZINC000061656647 176110860 /nfs/dbraw/zinc/11/08/60/176110860.db2.gz BIJIUZVTCAYQAY-SNVBAGLBSA-N 1 3 205.305 1.525 10 0 BDAEHO C[C@@H]1CCC[N@H+]1Cc1cccnc1CN ZINC000061656647 176110861 /nfs/dbraw/zinc/11/08/61/176110861.db2.gz BIJIUZVTCAYQAY-SNVBAGLBSA-N 1 3 205.305 1.525 10 0 BDAEHO C[C@@H]1CC[C@H]([NH3+])[C@H](CN2CCC[C@H](CO)C2)C1 ZINC000053860163 176228521 /nfs/dbraw/zinc/22/85/21/176228521.db2.gz HEQGCKKCKROANH-RFGFWPKPSA-N 1 3 240.391 1.454 10 0 BDAEHO C[C@@H]1CC[C@H](N)[C@H](C[N@@H+]2CCC[C@H](CO)C2)C1 ZINC000053860163 176228522 /nfs/dbraw/zinc/22/85/22/176228522.db2.gz HEQGCKKCKROANH-RFGFWPKPSA-N 1 3 240.391 1.454 10 0 BDAEHO C[C@@H]1CC[C@H](N)[C@H](C[N@H+]2CCC[C@H](CO)C2)C1 ZINC000053860163 176228523 /nfs/dbraw/zinc/22/85/23/176228523.db2.gz HEQGCKKCKROANH-RFGFWPKPSA-N 1 3 240.391 1.454 10 0 BDAEHO C[C@H]1CCC[C@@](C[NH3+])(N2CCCOCC2)C1 ZINC000061916615 177127491 /nfs/dbraw/zinc/12/74/91/177127491.db2.gz FGWJJXRXLQCEHY-QWHCGFSZSA-N 1 3 226.364 1.616 10 0 BDAEHO C[C@H]1CC[N@H+](C[C@@H]2CCCOC2)CCCN1 ZINC000044982834 177161579 /nfs/dbraw/zinc/16/15/79/177161579.db2.gz YXCFYYJLHWPCNU-STQMWFEESA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)CCCN1 ZINC000044982834 177161580 /nfs/dbraw/zinc/16/15/80/177161580.db2.gz YXCFYYJLHWPCNU-STQMWFEESA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@@H]1CC[C@H](C[NH3+])[C@H](N2C[C@H](C)OC[C@@H]2C)C1 ZINC000035782897 177274660 /nfs/dbraw/zinc/27/46/60/177274660.db2.gz TWAHXDSGXLXSMB-MBJXGIAVSA-N 1 3 240.391 1.859 10 0 BDAEHO C[C@H](CN1CCCC1)NC1=[NH+]C[C@H](C)S1 ZINC000049185288 177281983 /nfs/dbraw/zinc/28/19/83/177281983.db2.gz ZUPXVEGPVKJFMM-ZJUUUORDSA-N 1 3 227.377 1.552 10 0 BDAEHO C[C@@H]1C[C@H](C)C[N@H+](C2(CN)CCN(C)CC2)C1 ZINC000019506687 177312453 /nfs/dbraw/zinc/31/24/53/177312453.db2.gz DTDOPTQJZFCQTQ-BETUJISGSA-N 1 3 239.407 1.387 10 0 BDAEHO C[C@@H]1C[C@H](C)C[N@@H+](C2(CN)CCN(C)CC2)C1 ZINC000019506687 177312455 /nfs/dbraw/zinc/31/24/55/177312455.db2.gz DTDOPTQJZFCQTQ-BETUJISGSA-N 1 3 239.407 1.387 10 0 BDAEHO C[C@H](NCCN1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000400332303 226340849 /nfs/dbraw/zinc/34/08/49/226340849.db2.gz GFTVYJAQLKTSMP-KBPBESRZSA-N 1 3 239.407 1.450 10 0 BDAEHO C[C@H](N[C@H](CO)CC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400348317 226341516 /nfs/dbraw/zinc/34/15/16/226341516.db2.gz LIBAFTHPGLYOIN-TUAOUCFPSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@H](NCCCOCC1CC1)[C@@H]1CC[NH2+]C1 ZINC000400380253 226342382 /nfs/dbraw/zinc/34/23/82/226342382.db2.gz KAILHMDGQVYTJU-WCQYABFASA-N 1 3 226.364 1.391 10 0 BDAEHO CO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CC[NH2+]C2)C1(C)C ZINC000400386335 226342537 /nfs/dbraw/zinc/34/25/37/226342537.db2.gz LXNYCUNUFBQHBH-WISYIIOYSA-N 1 3 226.364 1.388 10 0 BDAEHO C[C@H](NC[C@H]1Cc2ccccc2O1)[C@H]1CC[NH2+]C1 ZINC000400552079 226346177 /nfs/dbraw/zinc/34/61/77/226346177.db2.gz YAPDZRHORVIBKC-FPMFFAJLSA-N 1 3 246.354 1.578 10 0 BDAEHO C[C@@H]1CN2CCCC[C@H]2CN1C[C@H]1CC[NH2+]C1 ZINC000251603665 487775644 /nfs/dbraw/zinc/77/56/44/487775644.db2.gz DEMDAZZJOXXXPM-RDBSUJKOSA-N 1 3 237.391 1.155 10 0 BDAEHO C[C@H]([NH2+][C@H](CO)CC(C)(C)C)[C@@H]1CCCNC1 ZINC000567647068 326238202 /nfs/dbraw/zinc/23/82/02/326238202.db2.gz QVCQXMOIBLHKML-XQQFMLRXSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@H](N[C@H](CO)CC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000567647068 326238203 /nfs/dbraw/zinc/23/82/03/326238203.db2.gz QVCQXMOIBLHKML-XQQFMLRXSA-N 1 3 242.407 1.761 10 0 BDAEHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000084216353 488037517 /nfs/dbraw/zinc/03/75/17/488037517.db2.gz MIHCVYPIPSIDOL-RWMBFGLXSA-N 1 3 226.364 1.663 10 0 BDAEHO CN(C)C1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000310537513 488099311 /nfs/dbraw/zinc/09/93/11/488099311.db2.gz RQZRZHNJUTUTCX-OCCSQVGLSA-N 1 3 240.391 1.564 10 0 BDAEHO C[C@@H]1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1[NH3+] ZINC000403626997 488129583 /nfs/dbraw/zinc/12/95/83/488129583.db2.gz MDUQZTCGGCOSDG-KVSVUVNWSA-N 1 3 208.349 1.702 10 0 BDAEHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000227133301 487550872 /nfs/dbraw/zinc/55/08/72/487550872.db2.gz IBSRATGDTRWXRI-LOWDOPEQSA-N 1 3 226.364 1.397 10 0 BDAEHO COC[C@H](C)C[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757134855 582513220 /nfs/dbraw/zinc/51/32/20/582513220.db2.gz XFELTDUEADGMFW-HZSPNIEDSA-N 1 3 240.391 1.875 10 0 BDAEHO COC[C@H](C)C[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757134855 582513222 /nfs/dbraw/zinc/51/32/22/582513222.db2.gz XFELTDUEADGMFW-HZSPNIEDSA-N 1 3 240.391 1.875 10 0 BDAEHO COC[C@H](C)CN1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757134855 582513223 /nfs/dbraw/zinc/51/32/23/582513223.db2.gz XFELTDUEADGMFW-HZSPNIEDSA-N 1 3 240.391 1.875 10 0 BDAEHO CCN1CCC2(CC1)[NH2+]C[C@@H](C(C)C)CO2 ZINC000757153895 582537913 /nfs/dbraw/zinc/53/79/13/582537913.db2.gz YJLVFEZJEGASQA-GFCCVEGCSA-N 1 3 226.364 1.690 10 0 BDAEHO C[C@H](NC[C@@H]1CCCC[C@@H]1O)[C@H]1CC[NH2+]C1 ZINC000400382460 533881447 /nfs/dbraw/zinc/88/14/47/533881447.db2.gz KSBHVODMMJASLK-CYDGBPFRSA-N 1 3 226.364 1.125 10 0 BDAEHO CC(C)C[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)N(C)C ZINC000400350159 528533067 /nfs/dbraw/zinc/53/30/67/528533067.db2.gz JRFYCFGKHUAAIM-HZSPNIEDSA-N 1 3 241.423 1.550 10 0 BDAEHO C[C@H]1CC(C)(C)C[C@@]2(C1)[NH2+]CCC1(CNC1)O2 ZINC000757146329 582529825 /nfs/dbraw/zinc/52/98/25/582529825.db2.gz KFZVTQFZWKUSSM-FZMZJTMJSA-N 1 3 238.375 1.881 10 0 BDAEHO N[C@H]1CC[C@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757213628 582560980 /nfs/dbraw/zinc/56/09/80/582560980.db2.gz LGBOEFDMKBOAFS-CMPLNLGQSA-N 1 3 215.300 1.920 10 0 BDAEHO [NH3+][C@H]1CNC[C@@H](c2cccc3cc[nH]c32)C1 ZINC000757217813 582561526 /nfs/dbraw/zinc/56/15/26/582561526.db2.gz SNRCLOWWJLILMO-WDEREUQCSA-N 1 3 215.300 1.572 10 0 BDAEHO Nc1cccc([C@H]2CC[C@@H](C[NH3+])NC2)c1 ZINC000757218550 582562465 /nfs/dbraw/zinc/56/24/65/582562465.db2.gz WABHZXWLJGDTIV-JQWIXIFHSA-N 1 3 205.305 1.063 10 0 BDAEHO [NH3+]C[C@@H]1CCNc2nc3c(n21)CCCC3 ZINC000236228461 582642065 /nfs/dbraw/zinc/64/20/65/582642065.db2.gz VJOPIZPEIQQXQW-QMMMGPOBSA-N 1 3 206.293 1.077 10 0 BDAEHO [NH3+]C[C@@H]1CC[C@H](c2cccc3cc[nH]c32)CN1 ZINC000757212628 586439352 /nfs/dbraw/zinc/43/93/52/586439352.db2.gz JOEYGJKCFQYAMG-RYUDHWBXSA-N 1 3 229.327 1.962 10 0 BDAEHO C[C@@H]1CC[C@@H](CN)[C@H](C2CCOCC2)[NH2+]1 ZINC000757213223 586439603 /nfs/dbraw/zinc/43/96/03/586439603.db2.gz OZLDGWDVNYEERS-USWWRNFRSA-N 1 3 212.337 1.128 10 0 BDAEHO C[C@@H]1CC[C@H](C[NH3+])[C@H](c2cccc(N)c2)N1 ZINC000757220115 586442147 /nfs/dbraw/zinc/44/21/47/586442147.db2.gz ZYHQSEAMNPEFBZ-XWIASGKRSA-N 1 3 219.332 1.657 10 0 BDAEHO CC(C)(C)n1cc([C@@H]2CNC[C@H](C[NH3+])C2)cn1 ZINC000757237951 586443545 /nfs/dbraw/zinc/44/35/45/586443545.db2.gz QXFNNWFWUKRONR-QWRGUYRKSA-N 1 3 236.363 1.290 10 0 BDAEHO CC(C)(C)n1cc([C@@H]2C[NH2+]C[C@H](CN)C2)cn1 ZINC000757237951 586443546 /nfs/dbraw/zinc/44/35/46/586443546.db2.gz QXFNNWFWUKRONR-QWRGUYRKSA-N 1 3 236.363 1.290 10 0 BDAEHO COC[C@H](C)CN1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757132694 643258163 /nfs/dbraw/zinc/25/81/63/643258163.db2.gz RPUHSDKTTIIYPQ-MGPQQGTHSA-N 1 3 240.391 1.733 10 0 BDAEHO C[C@H](NCCc1ccns1)[C@@H]1CC[NH2+]C1 ZINC000709967901 712235838 /nfs/dbraw/zinc/23/58/38/712235838.db2.gz RLBXBHNVTNVDGQ-VHSXEESVSA-N 1 3 225.361 1.273 10 0 BDAEHO CSC1CCC(C[NH2+][C@@H]2CCNC2)CC1 ZINC000720470476 712845415 /nfs/dbraw/zinc/84/54/15/712845415.db2.gz KLVNHJGCTLVDRP-MOENNCHZSA-N 1 3 228.405 1.860 10 0 BDAEHO C[C@@H]([NH2+]CCCCF)[C@@H]1CCCNC1 ZINC000566088831 398253446 /nfs/dbraw/zinc/25/34/46/398253446.db2.gz VMYWBYMRGGJKEZ-GHMZBOCLSA-N 1 3 202.317 1.714 10 0 BDAEHO C[C@@H](C[NH3+])C1(O)CCN(Cc2ccccc2)CC1 ZINC000207166650 538962117 /nfs/dbraw/zinc/96/21/17/538962117.db2.gz PFUAECFTLQVVSI-ZDUSSCGKSA-N 1 3 248.370 1.608 10 0 BDAEHO C[C@H](CC(N)=[NH2+])N1CCCSCC1 ZINC000042444060 362000679 /nfs/dbraw/zinc/00/06/79/362000679.db2.gz MOKAAKWGMUGCLU-MRVPVSSYSA-N 1 3 201.339 1.140 10 0 BDAEHO CC[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)C(C)(C)O ZINC000400425214 529651367 /nfs/dbraw/zinc/65/13/67/529651367.db2.gz YHKLFGGSOGHYAA-AXFHLTTASA-N 1 3 214.353 1.124 10 0 BDAEHO Cc1cnn(CCN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000235954283 343067834 /nfs/dbraw/zinc/06/78/34/343067834.db2.gz KKMGCJJUNXJYNX-RYUDHWBXSA-N 1 3 222.336 1.051 10 0 BDAEHO FC1(F)CC[C@@H]2C[N@@H+](C3CCNCC3)C[C@H]21 ZINC000409427505 343801077 /nfs/dbraw/zinc/80/10/77/343801077.db2.gz KOJWKIWZRZVBIB-MWLCHTKSSA-N 1 3 230.302 1.716 10 0 BDAEHO FC1(F)CC[C@@H]2C[N@H+](C3CCNCC3)C[C@H]21 ZINC000409427505 343801080 /nfs/dbraw/zinc/80/10/80/343801080.db2.gz KOJWKIWZRZVBIB-MWLCHTKSSA-N 1 3 230.302 1.716 10 0 BDAEHO NCCC[N@@H+]1CCOC[C@@H]2CCCC[C@H]21 ZINC000409427740 343801655 /nfs/dbraw/zinc/80/16/55/343801655.db2.gz FHHZJQYYWHYNNN-NWDGAFQWSA-N 1 3 212.337 1.226 10 0 BDAEHO NCCC[N@H+]1CCOC[C@@H]2CCCC[C@H]21 ZINC000409427740 343801658 /nfs/dbraw/zinc/80/16/58/343801658.db2.gz FHHZJQYYWHYNNN-NWDGAFQWSA-N 1 3 212.337 1.226 10 0 BDAEHO [NH3+]CCCN1CCOC[C@@H]2CCCC[C@H]21 ZINC000409427740 343801661 /nfs/dbraw/zinc/80/16/61/343801661.db2.gz FHHZJQYYWHYNNN-NWDGAFQWSA-N 1 3 212.337 1.226 10 0 BDAEHO CCOC[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000409430208 343807641 /nfs/dbraw/zinc/80/76/41/343807641.db2.gz QBPHIXUSFSQTRL-LBPRGKRZSA-N 1 3 226.364 1.487 10 0 BDAEHO CCOC[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000409430208 343807643 /nfs/dbraw/zinc/80/76/43/343807643.db2.gz QBPHIXUSFSQTRL-LBPRGKRZSA-N 1 3 226.364 1.487 10 0 BDAEHO CCOC[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000409430208 343807645 /nfs/dbraw/zinc/80/76/45/343807645.db2.gz QBPHIXUSFSQTRL-LBPRGKRZSA-N 1 3 226.364 1.487 10 0 BDAEHO COC[C@H]1C[N@@H+](C2CCNCC2)CC12CCC2 ZINC000409434504 343829319 /nfs/dbraw/zinc/82/93/19/343829319.db2.gz PPLXZFGQSZGVKC-GFCCVEGCSA-N 1 3 238.375 1.487 10 0 BDAEHO COC[C@H]1C[N@H+](C2CCNCC2)CC12CCC2 ZINC000409434504 343829320 /nfs/dbraw/zinc/82/93/20/343829320.db2.gz PPLXZFGQSZGVKC-GFCCVEGCSA-N 1 3 238.375 1.487 10 0 BDAEHO CCOC[C@@H]1C[N@@H+](C2CCNCC2)C[C@H]1C ZINC000409435583 343834514 /nfs/dbraw/zinc/83/45/14/343834514.db2.gz VLVWIBMQTBAGLV-NEPJUHHUSA-N 1 3 226.364 1.343 10 0 BDAEHO CCOC[C@@H]1C[N@H+](C2CCNCC2)C[C@H]1C ZINC000409435583 343834515 /nfs/dbraw/zinc/83/45/15/343834515.db2.gz VLVWIBMQTBAGLV-NEPJUHHUSA-N 1 3 226.364 1.343 10 0 BDAEHO CC[N@H+](CCCN)C1CCSCC1 ZINC000409436217 343837870 /nfs/dbraw/zinc/83/78/70/343837870.db2.gz YSSNXPCPWYJCKZ-UHFFFAOYSA-N 1 3 202.367 1.553 10 0 BDAEHO CC[N@@H+](CCCN)C1CCSCC1 ZINC000409436217 343837873 /nfs/dbraw/zinc/83/78/73/343837873.db2.gz YSSNXPCPWYJCKZ-UHFFFAOYSA-N 1 3 202.367 1.553 10 0 BDAEHO CCN(CCC[NH3+])C1CCSCC1 ZINC000409436217 343837875 /nfs/dbraw/zinc/83/78/75/343837875.db2.gz YSSNXPCPWYJCKZ-UHFFFAOYSA-N 1 3 202.367 1.553 10 0 BDAEHO CC(C)C[C@@H]1C[N@@H+](C2CCNCC2)CC[C@@H]1O ZINC000409435795 343840327 /nfs/dbraw/zinc/84/03/27/343840327.db2.gz WOPXZLYJMAQCBK-OCCSQVGLSA-N 1 3 240.391 1.467 10 0 BDAEHO CC(C)C[C@@H]1C[N@H+](C2CCNCC2)CC[C@@H]1O ZINC000409435795 343840329 /nfs/dbraw/zinc/84/03/29/343840329.db2.gz WOPXZLYJMAQCBK-OCCSQVGLSA-N 1 3 240.391 1.467 10 0 BDAEHO CC(C)C[C@@H]1CN(C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409435795 343840331 /nfs/dbraw/zinc/84/03/31/343840331.db2.gz WOPXZLYJMAQCBK-OCCSQVGLSA-N 1 3 240.391 1.467 10 0 BDAEHO C1C[C@@H](N2CCNCC2)[C@H]([NH+]2CCCCC2)C1 ZINC000409439336 343847097 /nfs/dbraw/zinc/84/70/97/343847097.db2.gz GTZPOEMCPAMOOL-ZIAGYGMSSA-N 1 3 237.391 1.299 10 0 BDAEHO CC[N@@H+](Cc1ccccc1)C[C@@H](CN)OC ZINC000227421784 344334311 /nfs/dbraw/zinc/33/43/11/344334311.db2.gz JQCJCBTYUSVZHK-CYBMUJFWSA-N 1 3 222.332 1.482 10 0 BDAEHO CC[N@H+](Cc1ccccc1)C[C@@H](CN)OC ZINC000227421784 344334312 /nfs/dbraw/zinc/33/43/12/344334312.db2.gz JQCJCBTYUSVZHK-CYBMUJFWSA-N 1 3 222.332 1.482 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc[nH]1 ZINC000247722388 344386252 /nfs/dbraw/zinc/38/62/52/344386252.db2.gz BNGCEMOQZAFMLM-HOSYDEDBSA-N 1 3 207.321 1.935 10 0 BDAEHO CC(C)(C)OC(=O)CCN1CCC(C[NH3+])CC1 ZINC000082020357 537857388 /nfs/dbraw/zinc/85/73/88/537857388.db2.gz MNESDBWJBRTKQU-UHFFFAOYSA-N 1 3 242.363 1.389 10 0 BDAEHO C([NH2+][C@H]1CCCC12CC2)[C@H]1CCCNC1 ZINC000634998653 345198245 /nfs/dbraw/zinc/19/82/45/345198245.db2.gz JDFAICYFLKSVOO-RYUDHWBXSA-N 1 3 208.349 1.908 10 0 BDAEHO C[C@H](N[C@H](CO)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400748328 345727545 /nfs/dbraw/zinc/72/75/45/345727545.db2.gz UZFHLXSNXULGDQ-IACUBPJLSA-N 1 3 240.391 1.515 10 0 BDAEHO N[C@@H](C[NH3+])C[C@@H]1CCc2ccccc2C1 ZINC000169191787 345838970 /nfs/dbraw/zinc/83/89/70/345838970.db2.gz OVTZQVVSWMGEDH-ZWNOBZJWSA-N 1 3 204.317 1.468 10 0 BDAEHO c1ccc(COCCCC[NH2+][C@H]2CCNC2)cc1 ZINC000390588250 259394816 /nfs/dbraw/zinc/39/48/16/259394816.db2.gz OQPMDJKPGOMGNY-HNNXBMFYSA-N 1 3 248.370 1.935 10 0 BDAEHO COCCC1(C[NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000571431594 323144647 /nfs/dbraw/zinc/14/46/47/323144647.db2.gz VLNWMJXXRDZCJP-STQMWFEESA-N 1 3 240.391 1.781 10 0 BDAEHO CC[C@@H]1CN([C@H]2CCSC2)CC[C@H]1[NH3+] ZINC000251753007 362906077 /nfs/dbraw/zinc/90/60/77/362906077.db2.gz LLXDNUWGLUNJEG-OUAUKWLOSA-N 1 3 214.378 1.551 10 0 BDAEHO Cc1nccc(CN[C@H](C)C2CC[NH+](C)CC2)n1 ZINC000038037591 180191833 /nfs/dbraw/zinc/19/18/33/180191833.db2.gz JRFBHXAVXSVTRK-LLVKDONJSA-N 1 3 248.374 1.605 10 0 BDAEHO Cc1nccn1CCN1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000042427524 180254256 /nfs/dbraw/zinc/25/42/56/180254256.db2.gz ZETSYEIRLCNIDW-WCQYABFASA-N 1 3 236.363 1.251 10 0 BDAEHO NCc1ccc(C2=CC[C@]3(C[C@H]3[NH3+])CC2)nc1F ZINC000725265260 538092180 /nfs/dbraw/zinc/09/21/80/538092180.db2.gz VAQISBMZIHBVAI-TZMCWYRMSA-N 1 3 247.317 1.964 10 0 BDAEHO CCOC[C@H]1C[N@H+](CCCN)CC12CCCC2 ZINC000409433360 350477747 /nfs/dbraw/zinc/47/77/47/350477747.db2.gz MPTLJRUTTWFAAO-CYBMUJFWSA-N 1 3 240.391 1.864 10 0 BDAEHO CCOC[C@H]1C[N@@H+](CCCN)CC12CCCC2 ZINC000409433360 350477750 /nfs/dbraw/zinc/47/77/50/350477750.db2.gz MPTLJRUTTWFAAO-CYBMUJFWSA-N 1 3 240.391 1.864 10 0 BDAEHO C[C@@H]1C[N@@H+](C2CCSCC2)CC[C@H]1N ZINC000251864484 362971522 /nfs/dbraw/zinc/97/15/22/362971522.db2.gz STQBOCVSJPVVMW-MWLCHTKSSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@@H]1C[N@H+](C2CCSCC2)CC[C@H]1N ZINC000251864484 362971524 /nfs/dbraw/zinc/97/15/24/362971524.db2.gz STQBOCVSJPVVMW-MWLCHTKSSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@@H]1CN(C2CCSCC2)CC[C@H]1[NH3+] ZINC000251864484 362971528 /nfs/dbraw/zinc/97/15/28/362971528.db2.gz STQBOCVSJPVVMW-MWLCHTKSSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@@H](CN(C)Cc1ccccc1)NC1C[NH2+]C1 ZINC000306847515 351158729 /nfs/dbraw/zinc/15/87/29/351158729.db2.gz LJLOHVSHWWCAHH-LBPRGKRZSA-N 1 3 233.359 1.068 10 0 BDAEHO [NH3+]CC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000616650649 351184507 /nfs/dbraw/zinc/18/45/07/351184507.db2.gz CIYOZIKZBUOMOP-AWEZNQCLSA-N 1 3 234.343 1.626 10 0 BDAEHO [NH3+]CC[C@@H]1COCCN(Cc2ccccc2)C1 ZINC000616659991 351209011 /nfs/dbraw/zinc/20/90/11/351209011.db2.gz MCNPWGKCZQRBDY-AWEZNQCLSA-N 1 3 234.343 1.484 10 0 BDAEHO C[C@H]([C@H](C)N)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000306972400 351394980 /nfs/dbraw/zinc/39/49/80/351394980.db2.gz VTZCRZLTVOZISO-DOLQZWNJSA-N 1 3 202.367 1.548 10 0 BDAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1C1CSC1 ZINC000307131045 351495492 /nfs/dbraw/zinc/49/54/92/351495492.db2.gz SPRPYGDTPGOQDZ-BDAKNGLRSA-N 1 3 200.351 1.161 10 0 BDAEHO CC1(C)SC[C@@H]1N1CC[C@H](C[NH3+])C1 ZINC000307168858 351542543 /nfs/dbraw/zinc/54/25/43/351542543.db2.gz WFLZNZDRCXMQCV-BDAKNGLRSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@H](N2CC[C@@H]([NH3+])[C@H](C)C2)CS1 ZINC000252173403 363190023 /nfs/dbraw/zinc/19/00/23/363190023.db2.gz ROHVGCQXGVDKDA-CHWFTXMASA-N 1 3 214.378 1.550 10 0 BDAEHO C[C@H]([C@@H](C)CN)[N@@H+]1CCS[C@H](C)CC1 ZINC000307494429 352625006 /nfs/dbraw/zinc/62/50/06/352625006.db2.gz HTHLDRSEOCTVEW-HBNTYKKESA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@H]([C@@H](C)CN)[N@H+]1CCS[C@H](C)CC1 ZINC000307494429 352625008 /nfs/dbraw/zinc/62/50/08/352625008.db2.gz HTHLDRSEOCTVEW-HBNTYKKESA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@H]([C@@H](C)C[NH3+])N1CCS[C@H](C)CC1 ZINC000307494429 352625013 /nfs/dbraw/zinc/62/50/13/352625013.db2.gz HTHLDRSEOCTVEW-HBNTYKKESA-N 1 3 216.394 1.797 10 0 BDAEHO CC(C)C[C@@H](CN[C@@H]1CCC[NH2+]CC1)N(C)C ZINC000128921406 188085384 /nfs/dbraw/zinc/08/53/84/188085384.db2.gz YKSBFQYETXTMBS-KGLIPLIRSA-N 1 3 241.423 1.694 10 0 BDAEHO CC(C)N(C)[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000022173728 188109087 /nfs/dbraw/zinc/10/90/87/188109087.db2.gz QVGRQOPIONTENG-NSHDSACASA-N 1 3 249.358 1.813 10 0 BDAEHO CC(C)C[C@H](CN)[N@H+](CCN(C)C)CC(C)C ZINC000042744579 188121140 /nfs/dbraw/zinc/12/11/40/188121140.db2.gz DJPQHGYPZZERHP-CQSZACIVSA-N 1 3 243.439 1.879 10 0 BDAEHO CC(C)C[C@H](CN)[N@@H+](CCN(C)C)CC(C)C ZINC000042744579 188121141 /nfs/dbraw/zinc/12/11/41/188121141.db2.gz DJPQHGYPZZERHP-CQSZACIVSA-N 1 3 243.439 1.879 10 0 BDAEHO COc1ccc([C@@H]2CNCC[C@@H]2[NH3+])cc1 ZINC000211544271 353717661 /nfs/dbraw/zinc/71/76/61/353717661.db2.gz OJFLHQIKOUJJIH-RYUDHWBXSA-N 1 3 206.289 1.099 10 0 BDAEHO COc1ccc([C@@H]2C[NH2+]CC[C@@H]2N)cc1 ZINC000211544271 353717663 /nfs/dbraw/zinc/71/76/63/353717663.db2.gz OJFLHQIKOUJJIH-RYUDHWBXSA-N 1 3 206.289 1.099 10 0 BDAEHO C[C@@H]1[C@H](C)SCCN1C/C=C\C[NH3+] ZINC000308078058 353767149 /nfs/dbraw/zinc/76/71/49/353767149.db2.gz APSZLGCSQMPINC-QKMQQOOLSA-N 1 3 200.351 1.327 10 0 BDAEHO COC(C)(C)[C@H](C)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000301039089 363358736 /nfs/dbraw/zinc/35/87/36/363358736.db2.gz YLUAWSJQJYKHQJ-KXUCPTDWSA-N 1 3 200.326 1.079 10 0 BDAEHO C[C@@H]1COC[C@@H](C)N1CC[C@H]1CCC[NH2+]C1 ZINC000420303500 192206632 /nfs/dbraw/zinc/20/66/32/192206632.db2.gz NNZRWZVRPPWAGS-JHJVBQTASA-N 1 3 226.364 1.485 10 0 BDAEHO CCN(C)C[C@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059518 538484318 /nfs/dbraw/zinc/48/43/18/538484318.db2.gz QZXYOCUNPSAVKR-AWEZNQCLSA-N 1 3 234.343 1.317 10 0 BDAEHO CCCN(CCC)Cc1c(C[NH3+])cnn1C ZINC000675055879 538477319 /nfs/dbraw/zinc/47/73/19/538477319.db2.gz AYLAMAGCJNXCLB-UHFFFAOYSA-N 1 3 224.352 1.501 10 0 BDAEHO [NH3+][C@@H]1C=C(C[C@@H]2CCC(F)(F)C2)CNC1 ZINC000675076658 538511090 /nfs/dbraw/zinc/51/10/90/538511090.db2.gz FNOGBIFBDBWRQP-WCBMZHEXSA-N 1 3 216.275 1.669 10 0 BDAEHO CC(C)N(C)[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080494 538519477 /nfs/dbraw/zinc/51/94/77/538519477.db2.gz RVBNTZBVYFGHSR-WDEREUQCSA-N 1 3 212.337 1.223 10 0 BDAEHO C[C@@H]1CN(CC2(C[NH3+])CC2)C[C@@H](C)S1 ZINC000168788672 357233094 /nfs/dbraw/zinc/23/30/94/357233094.db2.gz MQJQRHOWBUQZFU-NXEZZACHSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@@H]1C[NH+](CC2(CN)CC2)C[C@@H](C)S1 ZINC000168788672 357233098 /nfs/dbraw/zinc/23/30/98/357233098.db2.gz MQJQRHOWBUQZFU-NXEZZACHSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@@H](C)C1N1CCSC[C@@H]1C ZINC000685951750 538895034 /nfs/dbraw/zinc/89/50/34/538895034.db2.gz XHXZOFMKODQYDJ-MXWKQRLJSA-N 1 3 228.405 1.668 10 0 BDAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+]1CCSC[C@@H]1C ZINC000685951750 538895036 /nfs/dbraw/zinc/89/50/36/538895036.db2.gz XHXZOFMKODQYDJ-MXWKQRLJSA-N 1 3 228.405 1.668 10 0 BDAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+]1CCSC[C@@H]1C ZINC000685951750 538895038 /nfs/dbraw/zinc/89/50/38/538895038.db2.gz XHXZOFMKODQYDJ-MXWKQRLJSA-N 1 3 228.405 1.668 10 0 BDAEHO CC(C)C[C@@H](CO)N[C@H]1CCC[NH2+]CC1 ZINC000168734999 134248008 /nfs/dbraw/zinc/24/80/08/134248008.db2.gz BLOOEDQOQZDKLB-RYUDHWBXSA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)C[C@@H](CO)[NH2+][C@H]1CCCNCC1 ZINC000168734999 134248009 /nfs/dbraw/zinc/24/80/09/134248009.db2.gz BLOOEDQOQZDKLB-RYUDHWBXSA-N 1 3 214.353 1.125 10 0 BDAEHO COCCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000584577793 358092796 /nfs/dbraw/zinc/09/27/96/358092796.db2.gz XTMIAVCBEVUSLM-QWRGUYRKSA-N 1 3 200.326 1.001 10 0 BDAEHO N[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000038762073 358196103 /nfs/dbraw/zinc/19/61/03/358196103.db2.gz BFRCNVPFOVQZSH-CYBMUJFWSA-N 1 3 204.317 2.000 10 0 BDAEHO N[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000038762073 358196106 /nfs/dbraw/zinc/19/61/06/358196106.db2.gz BFRCNVPFOVQZSH-CYBMUJFWSA-N 1 3 204.317 2.000 10 0 BDAEHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCSCC1 ZINC000306213420 359307085 /nfs/dbraw/zinc/30/70/85/359307085.db2.gz WVOUINUJHBDIDN-MWLCHTKSSA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@@H]1[C@H]([NH3+])CCN(CCC(F)F)[C@@H]1C ZINC000306219528 359338279 /nfs/dbraw/zinc/33/82/79/359338279.db2.gz MXWGVILITJHOEH-DJLDLDEBSA-N 1 3 206.280 1.699 10 0 BDAEHO C[C@H](N)[C@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000306312513 359593497 /nfs/dbraw/zinc/59/34/97/359593497.db2.gz KUOLXSMOGGCWLM-IUCAKERBSA-N 1 3 202.367 1.550 10 0 BDAEHO C[C@H](N)[C@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000306312513 359593501 /nfs/dbraw/zinc/59/35/01/359593501.db2.gz KUOLXSMOGGCWLM-IUCAKERBSA-N 1 3 202.367 1.550 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[C@H](N)C1 ZINC000306496150 360222945 /nfs/dbraw/zinc/22/29/45/360222945.db2.gz XDNVKGCJSCKKQQ-QEYWKRMJSA-N 1 3 200.351 1.350 10 0 BDAEHO C[C@@H]1SCC[C@@H]1N[C@@H]1CC[C@H]([NH3+])C1 ZINC000306496150 360222949 /nfs/dbraw/zinc/22/29/49/360222949.db2.gz XDNVKGCJSCKKQQ-QEYWKRMJSA-N 1 3 200.351 1.350 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[C@H](N)C1 ZINC000306496151 360223128 /nfs/dbraw/zinc/22/31/28/360223128.db2.gz XDNVKGCJSCKKQQ-XKNYDFJKSA-N 1 3 200.351 1.350 10 0 BDAEHO C[C@@H]1SCC[C@@H]1N[C@H]1CC[C@H]([NH3+])C1 ZINC000306496151 360223131 /nfs/dbraw/zinc/22/31/31/360223131.db2.gz XDNVKGCJSCKKQQ-XKNYDFJKSA-N 1 3 200.351 1.350 10 0 BDAEHO C[C@@H]1CC[N@H+](CC2CNC2)CCS1 ZINC000306585834 360484877 /nfs/dbraw/zinc/48/48/77/360484877.db2.gz IFLFREUKJXTYPE-SECBINFHSA-N 1 3 200.351 1.033 10 0 BDAEHO C[C@@H]1CC[N@@H+](CC2CNC2)CCS1 ZINC000306585834 360484879 /nfs/dbraw/zinc/48/48/79/360484879.db2.gz IFLFREUKJXTYPE-SECBINFHSA-N 1 3 200.351 1.033 10 0 BDAEHO C[C@@H]1CCC[N@@H+](C2(CN)CSC2)C1 ZINC000306592457 360511189 /nfs/dbraw/zinc/51/11/89/360511189.db2.gz WJCOCMVYASZWHR-SECBINFHSA-N 1 3 200.351 1.163 10 0 BDAEHO C[C@@H]1CCC[N@H+](C2(CN)CSC2)C1 ZINC000306592457 360511193 /nfs/dbraw/zinc/51/11/93/360511193.db2.gz WJCOCMVYASZWHR-SECBINFHSA-N 1 3 200.351 1.163 10 0 BDAEHO CSC1CCN([C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000300809332 360513676 /nfs/dbraw/zinc/51/36/76/360513676.db2.gz GWQGXPMEDFEQFB-NXEZZACHSA-N 1 3 214.378 1.694 10 0 BDAEHO C[C@@H]([NH2+]CC[C@H](C)CCO)[C@H]1CCCNC1 ZINC000578994704 366689992 /nfs/dbraw/zinc/68/99/92/366689992.db2.gz KOWCNZBUUQQIOQ-XQQFMLRXSA-N 1 3 228.380 1.373 10 0 BDAEHO FC1(F)C[C@H]1CC[NH2+][C@H]1CCCNCC1 ZINC000622044063 370675809 /nfs/dbraw/zinc/67/58/09/370675809.db2.gz SZXRTCIOKAMTFO-ZJUUUORDSA-N 1 3 218.291 1.763 10 0 BDAEHO NC1(C[NH2+]C[C@@H]2CCCCO2)CCCCC1 ZINC000042825501 181332474 /nfs/dbraw/zinc/33/24/74/181332474.db2.gz HAMMNRJEDFBBLP-LBPRGKRZSA-N 1 3 226.364 1.807 10 0 BDAEHO C[C@@H]1[C@@H](O)CCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000448549107 201216560 /nfs/dbraw/zinc/21/65/60/201216560.db2.gz XABXSVSPFBUMQA-AGIUHOORSA-N 1 3 226.364 1.316 10 0 BDAEHO C[C@@H]1[C@@H](O)CCCN1CC[C@@H]1CCC[N@H+]1C ZINC000448549107 201216564 /nfs/dbraw/zinc/21/65/64/201216564.db2.gz XABXSVSPFBUMQA-AGIUHOORSA-N 1 3 226.364 1.316 10 0 BDAEHO [NH3+]C1CCC(NCC(=O)c2ccco2)CC1 ZINC000095072132 181341325 /nfs/dbraw/zinc/34/13/25/181341325.db2.gz MMRZAZCGNYKUMD-UHFFFAOYSA-N 1 3 222.288 1.322 10 0 BDAEHO [NH3+]C1CCC(N[C@@H]2COc3ccccc32)CC1 ZINC000094089165 181342362 /nfs/dbraw/zinc/34/23/62/181342362.db2.gz XCHRSRVDJDKVOM-GCZXYKMCSA-N 1 3 232.327 1.980 10 0 BDAEHO CC[C@H](C)CN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630359391 364079275 /nfs/dbraw/zinc/07/92/75/364079275.db2.gz CTJSPKXEPPLGQS-SRVKXCTJSA-N 1 3 214.353 1.471 10 0 BDAEHO CC1CCN([C@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264549 541337537 /nfs/dbraw/zinc/33/75/37/541337537.db2.gz VIBHMFLHLRZEHD-OLZOCXBDSA-N 1 3 238.375 1.615 10 0 BDAEHO [NH3+]CC1(CN2CCC[C@@H](CO)C2)CCCCC1 ZINC000051206156 181359326 /nfs/dbraw/zinc/35/93/26/181359326.db2.gz UREPYCKCUYUGBG-CYBMUJFWSA-N 1 3 240.391 1.600 10 0 BDAEHO CC[C@@H]1CN(C[C@H]2C[C@H]([NH3+])C2)C[C@@H](CC)O1 ZINC000675054321 541434084 /nfs/dbraw/zinc/43/40/84/541434084.db2.gz RYHWXEQAKKPQEB-FDYHWXHSSA-N 1 3 226.364 1.613 10 0 BDAEHO CS[C@H](CO)[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000574392274 365050915 /nfs/dbraw/zinc/05/09/15/365050915.db2.gz LAWZFFDSOMYVQW-NOOOWODRSA-N 1 3 246.420 1.077 10 0 BDAEHO C[C@H](NC[C@H](O)CC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000574391321 365051438 /nfs/dbraw/zinc/05/14/38/365051438.db2.gz QERUVCLSARSOQO-YNEHKIRRSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@@H]1CCCNC1 ZINC000574391321 365051442 /nfs/dbraw/zinc/05/14/42/365051442.db2.gz QERUVCLSARSOQO-YNEHKIRRSA-N 1 3 242.407 1.761 10 0 BDAEHO CCC(CC)[C@H](O)CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000575850752 365384447 /nfs/dbraw/zinc/38/44/47/365384447.db2.gz XCXIWOOOAAINNI-IACUBPJLSA-N 1 3 242.407 1.761 10 0 BDAEHO CCC(CC)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000575850752 365384452 /nfs/dbraw/zinc/38/44/52/365384452.db2.gz XCXIWOOOAAINNI-IACUBPJLSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@@H](N[C@@H]1CO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000581608619 367632369 /nfs/dbraw/zinc/63/23/69/367632369.db2.gz ZOCNNVWHFMUDEG-WYUUTHIRSA-N 1 3 212.337 1.142 10 0 BDAEHO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CCCNC1 ZINC000581608619 367632375 /nfs/dbraw/zinc/63/23/75/367632375.db2.gz ZOCNNVWHFMUDEG-WYUUTHIRSA-N 1 3 212.337 1.142 10 0 BDAEHO C[C@H]([NH2+][C@H](CO)C1CCCC1)[C@H]1CCCNC1 ZINC000566088735 325992384 /nfs/dbraw/zinc/99/23/84/325992384.db2.gz DJNVZUNBILFKEK-FPMFFAJLSA-N 1 3 240.391 1.515 10 0 BDAEHO C[C@H]([NH3+])[C@@H](C)CN1CCCO[C@H](C)C1 ZINC000252842411 368163646 /nfs/dbraw/zinc/16/36/46/368163646.db2.gz COJAZENALVBDCJ-AXFHLTTASA-N 1 3 200.326 1.081 10 0 BDAEHO C[C@H](N[C@H]1CSC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000568868845 326378737 /nfs/dbraw/zinc/37/87/37/326378737.db2.gz UWPNWJGDMRPROX-DCAQKATOSA-N 1 3 228.405 1.858 10 0 BDAEHO C[C@H]([NH2+][C@H]1CSC1(C)C)[C@H]1CCCNC1 ZINC000568868845 326378738 /nfs/dbraw/zinc/37/87/38/326378738.db2.gz UWPNWJGDMRPROX-DCAQKATOSA-N 1 3 228.405 1.858 10 0 BDAEHO C[C@@H]1[C@H](C)SCCN1[C@@H]1CC[C@H]([NH3+])C1 ZINC000132792331 371923838 /nfs/dbraw/zinc/92/38/38/371923838.db2.gz LOMGLRAUQAZDOU-VPOLOUISSA-N 1 3 214.378 1.692 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@@H]1CCSC1 ZINC000228558666 372047340 /nfs/dbraw/zinc/04/73/40/372047340.db2.gz IABLFSVCVAQIDC-VIFPVBQESA-N 1 3 200.351 1.081 10 0 BDAEHO COCc1cccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838893 372634501 /nfs/dbraw/zinc/63/45/01/372634501.db2.gz WNLLCTYAIKEGJR-WFASDCNBSA-N 1 3 248.370 1.860 10 0 BDAEHO CC(C)[C@@H](C)N1CCC([NH2+]CCO)CC1 ZINC000631862983 372665197 /nfs/dbraw/zinc/66/51/97/372665197.db2.gz VWLFPDQRYUKKSQ-LLVKDONJSA-N 1 3 214.353 1.077 10 0 BDAEHO CCCC[C@H](CN)[N@H+](C)C1CCN(CC)CC1 ZINC000042615614 169002296 /nfs/dbraw/zinc/00/22/96/169002296.db2.gz SIXRAYBWJBJTJU-CQSZACIVSA-N 1 3 241.423 1.920 10 0 BDAEHO CCCC[C@H](CN)[N@@H+](C)C1CCN(CC)CC1 ZINC000042615614 169002297 /nfs/dbraw/zinc/00/22/97/169002297.db2.gz SIXRAYBWJBJTJU-CQSZACIVSA-N 1 3 241.423 1.920 10 0 BDAEHO CCCN(C)[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000037097929 169085736 /nfs/dbraw/zinc/08/57/36/169085736.db2.gz SJSGTWQZMNILRK-NSHDSACASA-N 1 3 249.358 1.814 10 0 BDAEHO CCCN1CCN(C[C@H]2CCC[C@H]2[NH2+]C)CC1 ZINC000053860725 169203918 /nfs/dbraw/zinc/20/39/18/169203918.db2.gz IZPDYOCLQMCIQE-ZIAGYGMSSA-N 1 3 239.407 1.402 10 0 BDAEHO CCCO[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000042422760 169311802 /nfs/dbraw/zinc/31/18/02/169311802.db2.gz KUYPRTTZEVAHGC-ZDUSSCGKSA-N 1 3 226.364 1.629 10 0 BDAEHO CCCO[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000042422760 169311804 /nfs/dbraw/zinc/31/18/04/169311804.db2.gz KUYPRTTZEVAHGC-ZDUSSCGKSA-N 1 3 226.364 1.629 10 0 BDAEHO CCC[NH2+][C@H]1CCN([C@@H]2CCCN(C)C2)C1 ZINC000040715859 169291445 /nfs/dbraw/zinc/29/14/45/169291445.db2.gz PSNFSOTYRUOTQR-QWHCGFSZSA-N 1 3 225.380 1.155 10 0 BDAEHO c1ccc2c(c1)OC[C@@H]2NCC1CC[NH2+]CC1 ZINC000094010498 183452590 /nfs/dbraw/zinc/45/25/90/183452590.db2.gz MCWUMTKDCYNPRA-ZDUSSCGKSA-N 1 3 232.327 1.709 10 0 BDAEHO CCC[C@@H]([NH3+])[C@H](CC)N1CCN(C(C)C)CC1 ZINC000036170895 169392645 /nfs/dbraw/zinc/39/26/45/169392645.db2.gz BRDZQRNIGFTPLM-KGLIPLIRSA-N 1 3 241.423 1.918 10 0 BDAEHO COC[C@H]1C[N@@H+](C2CCNCC2)CC1(C)C ZINC000409434784 383839596 /nfs/dbraw/zinc/83/95/96/383839596.db2.gz QOJFTTUACGZRKE-LLVKDONJSA-N 1 3 226.364 1.343 10 0 BDAEHO COC[C@H]1C[N@H+](C2CCNCC2)CC1(C)C ZINC000409434784 383839600 /nfs/dbraw/zinc/83/96/00/383839600.db2.gz QOJFTTUACGZRKE-LLVKDONJSA-N 1 3 226.364 1.343 10 0 BDAEHO FC(F)OCCC[NH2+][C@H]1CCCNCC1 ZINC000398244983 384863034 /nfs/dbraw/zinc/86/30/34/384863034.db2.gz CRBHNNKJMMJGRA-VIFPVBQESA-N 1 3 222.279 1.347 10 0 BDAEHO Cc1ccsc1CC[NH2+]C1CCNCC1 ZINC000259039986 384953068 /nfs/dbraw/zinc/95/30/68/384953068.db2.gz PFVODTNBJHUDGG-UHFFFAOYSA-N 1 3 224.373 1.941 10 0 BDAEHO Cc1ccsc1CCNC1CC[NH2+]CC1 ZINC000259039986 384953073 /nfs/dbraw/zinc/95/30/73/384953073.db2.gz PFVODTNBJHUDGG-UHFFFAOYSA-N 1 3 224.373 1.941 10 0 BDAEHO C[C@H]1CNCC[N@@H+]([C@@H]2CCSC2)C1 ZINC000258093473 385537151 /nfs/dbraw/zinc/53/71/51/385537151.db2.gz KJGDTWZLCFUXGF-VHSXEESVSA-N 1 3 200.351 1.033 10 0 BDAEHO C[C@H]1CNCC[N@H+]([C@@H]2CCSC2)C1 ZINC000258093473 385537155 /nfs/dbraw/zinc/53/71/55/385537155.db2.gz KJGDTWZLCFUXGF-VHSXEESVSA-N 1 3 200.351 1.033 10 0 BDAEHO N[C@H](CCCC[NH3+])c1cc(O)cc(O)c1 ZINC000575438696 387132552 /nfs/dbraw/zinc/13/25/52/387132552.db2.gz ABXOVYBQXVFRSH-LLVKDONJSA-N 1 3 210.277 1.227 10 0 BDAEHO FC1(F)CC[C@@H](C[NH2+][C@@H]2CCNC2)C1 ZINC000335028354 387122285 /nfs/dbraw/zinc/12/22/85/387122285.db2.gz INZNMAXPSMBGHQ-RKDXNWHRSA-N 1 3 204.264 1.373 10 0 BDAEHO COc1cc(F)ccc1[C@@H](N)CCC[NH3+] ZINC000575439632 387123100 /nfs/dbraw/zinc/12/31/00/387123100.db2.gz WSVOQGFQSQPGPJ-JTQLQIEISA-N 1 3 212.268 1.573 10 0 BDAEHO COc1cc(F)ccc1[C@H](N)CCC[NH3+] ZINC000575440237 387128178 /nfs/dbraw/zinc/12/81/78/387128178.db2.gz WSVOQGFQSQPGPJ-SNVBAGLBSA-N 1 3 212.268 1.573 10 0 BDAEHO C[C@@H]1CC[C@H](N)C[N@@H+]1[C@H]1CCSC1 ZINC000575480275 387170207 /nfs/dbraw/zinc/17/02/07/387170207.db2.gz HSFOMFYBYVWCCI-UTLUCORTSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1CC[C@H](N)C[N@H+]1[C@H]1CCSC1 ZINC000575480275 387170213 /nfs/dbraw/zinc/17/02/13/387170213.db2.gz HSFOMFYBYVWCCI-UTLUCORTSA-N 1 3 200.351 1.304 10 0 BDAEHO CCCCOCCC[NH2+][C@@H]1CCCNCC1 ZINC000229341824 387173093 /nfs/dbraw/zinc/17/30/93/387173093.db2.gz WHIIGINXNVOCKZ-CYBMUJFWSA-N 1 3 228.380 1.925 10 0 BDAEHO C[C@H](N[C@@H]1CCN(C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000643454659 387385491 /nfs/dbraw/zinc/38/54/91/387385491.db2.gz LDXCZWQCGPSSJG-RWMBFGLXSA-N 1 3 237.391 1.201 10 0 BDAEHO C[C@H](NCCN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643459129 387831238 /nfs/dbraw/zinc/83/12/38/387831238.db2.gz BCVANIZKEUJYAX-KBPBESRZSA-N 1 3 239.407 1.450 10 0 BDAEHO C[C@@H]([NH2+]CC1(CO)CCC1)[C@@H]1CCCNC1 ZINC000643480622 387935949 /nfs/dbraw/zinc/93/59/49/387935949.db2.gz IBQXRAVOAAXYBA-VXGBXAGGSA-N 1 3 226.364 1.127 10 0 BDAEHO C[C@@H](NCC1(CO)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000643480622 387935951 /nfs/dbraw/zinc/93/59/51/387935951.db2.gz IBQXRAVOAAXYBA-VXGBXAGGSA-N 1 3 226.364 1.127 10 0 BDAEHO CC(C)OCCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643480774 387942906 /nfs/dbraw/zinc/94/29/06/387942906.db2.gz FFLQMZPUPRSJNR-RYUDHWBXSA-N 1 3 214.353 1.389 10 0 BDAEHO CC(C)OCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000643480774 387942910 /nfs/dbraw/zinc/94/29/10/387942910.db2.gz FFLQMZPUPRSJNR-RYUDHWBXSA-N 1 3 214.353 1.389 10 0 BDAEHO FC1(F)CCC([NH2+][C@H]2CCNC2)CC1 ZINC000335025363 388446871 /nfs/dbraw/zinc/44/68/71/388446871.db2.gz JIHPGARPRBAOTG-VIFPVBQESA-N 1 3 204.264 1.516 10 0 BDAEHO C[C@H]([NH2+]C[C@@H]1CCCS1)[C@@H]1CCCNC1 ZINC000573234936 388435322 /nfs/dbraw/zinc/43/53/22/388435322.db2.gz WWVJRWSUGYAQFC-TUAOUCFPSA-N 1 3 228.405 1.860 10 0 BDAEHO C[C@H](N[C@@H]1C[C@H](O)C1(C)C)[C@H]1CCC[NH2+]C1 ZINC000521858999 388634367 /nfs/dbraw/zinc/63/43/67/388634367.db2.gz MCSIPWLQBLQQJF-YFKTTZPYSA-N 1 3 226.364 1.124 10 0 BDAEHO Cc1cccc(CCN[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000564714129 388886068 /nfs/dbraw/zinc/88/60/68/388886068.db2.gz VRPTVORUFPEGSU-KGLIPLIRSA-N 1 3 247.386 1.910 10 0 BDAEHO CC(C)OCCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000566056408 388985787 /nfs/dbraw/zinc/98/57/87/388985787.db2.gz ZNSUORGABOVFSM-CHWSQXEVSA-N 1 3 228.380 1.779 10 0 BDAEHO CC(C)N1CCN(c2ccccc2C[NH3+])CC1 ZINC000020266237 132330763 /nfs/dbraw/zinc/33/07/63/132330763.db2.gz PAZIPUGREHSGDD-UHFFFAOYSA-N 1 3 233.359 1.676 10 0 BDAEHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[C@H](C)O ZINC000251231131 135067268 /nfs/dbraw/zinc/06/72/68/135067268.db2.gz QGTCGHSVMQFRPD-FRRDWIJNSA-N 1 3 228.380 1.658 10 0 BDAEHO CC(C)C[C@H]([NH3+])CN1CCN2CCCC[C@H]2C1 ZINC000251410530 135069292 /nfs/dbraw/zinc/06/92/92/135069292.db2.gz NSRZJTPUUCNZHM-KBPBESRZSA-N 1 3 239.407 1.530 10 0 BDAEHO FC1(F)CCC[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000261538293 135175521 /nfs/dbraw/zinc/17/55/21/135175521.db2.gz WOWXKQJZLJMEIF-UTUOFQBUSA-N 1 3 244.329 1.963 10 0 BDAEHO O[C@@H]1C[NH2+]C[C@H]1CNCC1CCCCCC1 ZINC000262069749 135276463 /nfs/dbraw/zinc/27/64/63/135276463.db2.gz BZLVTNNNLHSCIB-CHWSQXEVSA-N 1 3 226.364 1.127 10 0 BDAEHO O[C@@H]1CNC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000262069749 135276464 /nfs/dbraw/zinc/27/64/64/135276464.db2.gz BZLVTNNNLHSCIB-CHWSQXEVSA-N 1 3 226.364 1.127 10 0 BDAEHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000262128190 135280294 /nfs/dbraw/zinc/28/02/94/135280294.db2.gz JZFSRKSQRGXIGF-SDDRHHMPSA-N 1 3 243.395 1.206 10 0 BDAEHO CC[C@@H]1CCC[C@H](CNC[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000263205606 135339325 /nfs/dbraw/zinc/33/93/25/135339325.db2.gz JQDFDNOIJXMAQX-XJFOESAGSA-N 1 3 240.391 1.373 10 0 BDAEHO CC[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CNC[C@H]2O)C1 ZINC000263205606 135339328 /nfs/dbraw/zinc/33/93/28/135339328.db2.gz JQDFDNOIJXMAQX-XJFOESAGSA-N 1 3 240.391 1.373 10 0 BDAEHO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000089150481 135532093 /nfs/dbraw/zinc/53/20/93/135532093.db2.gz WCPBTCYJIVNTLD-DGCLKSJQSA-N 1 3 236.363 1.368 10 0 BDAEHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)NC ZINC000054071610 322855217 /nfs/dbraw/zinc/85/52/17/322855217.db2.gz RMNCPBVKYNJEOX-NWDGAFQWSA-N 1 3 243.395 1.221 10 0 BDAEHO C[C@H](C[NH3+])CN[C@@H](C)CNC(=O)OC(C)(C)C ZINC000307296914 398063066 /nfs/dbraw/zinc/06/30/66/398063066.db2.gz RKKOMYCZVYTMOE-ZJUUUORDSA-N 1 3 245.367 1.084 10 0 BDAEHO C[C@H](CN)C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000307296914 398063071 /nfs/dbraw/zinc/06/30/71/398063071.db2.gz RKKOMYCZVYTMOE-ZJUUUORDSA-N 1 3 245.367 1.084 10 0 BDAEHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H]1CNC[C@@H]1O ZINC000262107148 487588823 /nfs/dbraw/zinc/58/88/23/487588823.db2.gz JSPXPFFKWPZHGA-NDBYEHHHSA-N 1 3 240.391 1.371 10 0 BDAEHO C[C@@H]([NH3+])CC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000040809203 410893969 /nfs/dbraw/zinc/89/39/69/410893969.db2.gz WAYNNTYYIRGAJX-YPMHNXCESA-N 1 3 249.358 1.143 10 0 BDAEHO CC(C)[N@@H+]1CC[C@](CN)(N(C)CC2CCC2)C1 ZINC000061455220 167026994 /nfs/dbraw/zinc/02/69/94/167026994.db2.gz HQTCBRFSNRMXKM-CQSZACIVSA-N 1 3 239.407 1.530 10 0 BDAEHO CC(C)[N@H+]1CC[C@](CN)(N(C)CC2CCC2)C1 ZINC000061455220 167026997 /nfs/dbraw/zinc/02/69/97/167026997.db2.gz HQTCBRFSNRMXKM-CQSZACIVSA-N 1 3 239.407 1.530 10 0 BDAEHO CC(C)N1CC[C@](CN)([N@H+](C)CC2CCC2)C1 ZINC000061455220 167026998 /nfs/dbraw/zinc/02/69/98/167026998.db2.gz HQTCBRFSNRMXKM-CQSZACIVSA-N 1 3 239.407 1.530 10 0 BDAEHO CC(C)N1CC[C@](CN)([N@@H+](C)CC2CCC2)C1 ZINC000061455220 167027002 /nfs/dbraw/zinc/02/70/02/167027002.db2.gz HQTCBRFSNRMXKM-CQSZACIVSA-N 1 3 239.407 1.530 10 0 BDAEHO CC(C)[NH2+]CCCCN1CCN(C(C)C)CC1 ZINC000037634949 167102030 /nfs/dbraw/zinc/10/20/30/167102030.db2.gz ZVOIAXPAAOEPGB-UHFFFAOYSA-N 1 3 241.423 1.791 10 0 BDAEHO CC(C)[NH2+]C[C@H](C)CN(C)C[C@@H]1CCCOC1 ZINC000070073324 167113270 /nfs/dbraw/zinc/11/32/70/167113270.db2.gz PPOYMVVCUXQABR-KBPBESRZSA-N 1 3 242.407 1.979 10 0 BDAEHO CC(C)[NH2+]C[C@H]1CCN([C@@H]2CCN(C)C2)C1 ZINC000053031653 167115585 /nfs/dbraw/zinc/11/55/85/167115585.db2.gz PPAWVMOHGZEENO-CHWSQXEVSA-N 1 3 225.380 1.010 10 0 BDAEHO C[C@H](Cc1ccccn1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000656193921 411199921 /nfs/dbraw/zinc/19/99/21/411199921.db2.gz YPOQGPOFESNZBN-RDBSUJKOSA-N 1 3 247.386 1.990 10 0 BDAEHO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000656193921 411199924 /nfs/dbraw/zinc/19/99/24/411199924.db2.gz YPOQGPOFESNZBN-RDBSUJKOSA-N 1 3 247.386 1.990 10 0 BDAEHO CC1CCC(CN2CCCO[C@H](C[NH3+])C2)CC1 ZINC000313391746 168154190 /nfs/dbraw/zinc/15/41/90/168154190.db2.gz VJTBMKDKROGKSH-JXQTWKCFSA-N 1 3 240.391 1.862 10 0 BDAEHO CC1CCN(C[C@@]2(C[NH3+])CCOC2)CC1 ZINC000051207829 168182972 /nfs/dbraw/zinc/18/29/72/168182972.db2.gz VOHYJLJHNNPRKT-LBPRGKRZSA-N 1 3 212.337 1.084 10 0 BDAEHO CC1CC[NH+]([C@]2(CN)CCN(C3CC3)C2)CC1 ZINC000061989990 168187988 /nfs/dbraw/zinc/18/79/88/168187988.db2.gz WERWPKIPKDOBAW-AWEZNQCLSA-N 1 3 237.391 1.284 10 0 BDAEHO CCN1CC[C@H](C[NH2+]CCCn2ccnc2)C1 ZINC000049327983 170014910 /nfs/dbraw/zinc/01/49/10/170014910.db2.gz OUQUVEQPWYXYHK-CYBMUJFWSA-N 1 3 236.363 1.205 10 0 BDAEHO CCN1CCc2ccccc2[C@H]1CC[NH3+] ZINC000011802510 170024825 /nfs/dbraw/zinc/02/48/25/170024825.db2.gz HHMKRRDOOPRYOB-CYBMUJFWSA-N 1 3 204.317 1.955 10 0 BDAEHO CC[NH2+][C@@H]1CCC[C@@H]1N1CCCN(C)CC1 ZINC000043818332 170150277 /nfs/dbraw/zinc/15/02/77/170150277.db2.gz HLTLZXRCLWOTFQ-OLZOCXBDSA-N 1 3 225.380 1.155 10 0 BDAEHO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CN(CC)CCO ZINC000053869607 170168454 /nfs/dbraw/zinc/16/84/54/170168454.db2.gz RUKKHNHUGFUSGS-MJBXVCDLSA-N 1 3 242.407 1.715 10 0 BDAEHO CCOC1CCN(C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000053870218 170332270 /nfs/dbraw/zinc/33/22/70/170332270.db2.gz WOAJRIPVUPNIKY-WCQYABFASA-N 1 3 226.364 1.615 10 0 BDAEHO CC[C@@](C)(C[NH2+]C1CC1)CN1CCC[C@@H]1CO ZINC000051255015 171166327 /nfs/dbraw/zinc/16/63/27/171166327.db2.gz DEOHAHATTGWBSS-KGLIPLIRSA-N 1 3 240.391 1.611 10 0 BDAEHO CC[C@@](C)(CNC1CC1)C[N@@H+]1CCC[C@@H]1CO ZINC000051255015 171166328 /nfs/dbraw/zinc/16/63/28/171166328.db2.gz DEOHAHATTGWBSS-KGLIPLIRSA-N 1 3 240.391 1.611 10 0 BDAEHO CC[C@@](C)(CNC1CC1)C[N@H+]1CCC[C@@H]1CO ZINC000051255015 171166330 /nfs/dbraw/zinc/16/63/30/171166330.db2.gz DEOHAHATTGWBSS-KGLIPLIRSA-N 1 3 240.391 1.611 10 0 BDAEHO CC[C@@](C)(C[NH3+])CN1CCCOCC1 ZINC000061934577 171166749 /nfs/dbraw/zinc/16/67/49/171166749.db2.gz MONITFDOCVBYCC-NSHDSACASA-N 1 3 200.326 1.084 10 0 BDAEHO CC[C@@](C)(CN)C[N@@H+]1CCCOCC1 ZINC000061934577 171166750 /nfs/dbraw/zinc/16/67/50/171166750.db2.gz MONITFDOCVBYCC-NSHDSACASA-N 1 3 200.326 1.084 10 0 BDAEHO CC[C@@](C)(CN)C[N@H+]1CCCOCC1 ZINC000061934577 171166753 /nfs/dbraw/zinc/16/67/53/171166753.db2.gz MONITFDOCVBYCC-NSHDSACASA-N 1 3 200.326 1.084 10 0 BDAEHO CC[C@@](C)(C[NH3+])N1CCN(C(C)C)CC1 ZINC000036170730 171166888 /nfs/dbraw/zinc/16/68/88/171166888.db2.gz MCQNLZOERGBLFD-LBPRGKRZSA-N 1 3 213.369 1.140 10 0 BDAEHO CC[C@H](C)N(CCOC)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042578509 171315071 /nfs/dbraw/zinc/31/50/71/171315071.db2.gz QQOJTOIZNFMEEO-XQQFMLRXSA-N 1 3 244.379 1.097 10 0 BDAEHO CC[C@@H](C)[C@H](C[NH3+])N1CCN([C@@H](C)CC)CC1 ZINC000055064298 171318652 /nfs/dbraw/zinc/31/86/52/171318652.db2.gz KRIZAIQDGLXTLP-RDBSUJKOSA-N 1 3 241.423 1.776 10 0 BDAEHO CC[C@H](C)N1CCN(CC[C@H]2CCC[NH2+]2)CC1 ZINC000055083420 171319360 /nfs/dbraw/zinc/31/93/60/171319360.db2.gz QRVYFEDJKMTHHB-UONOGXRCSA-N 1 3 239.407 1.545 10 0 BDAEHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000049220379 171396261 /nfs/dbraw/zinc/39/62/61/171396261.db2.gz DSVMDWNROXGCHB-TUAOUCFPSA-N 1 3 243.395 1.062 10 0 BDAEHO C[C@H]1CCC[C@H](CNC2CC[NH2+]CC2)O1 ZINC000665264923 412207073 /nfs/dbraw/zinc/20/70/73/412207073.db2.gz LYFNZZHXDUIVQN-CMPLNLGQSA-N 1 3 212.337 1.286 10 0 BDAEHO C[C@H]1CCC[C@H](C[NH2+]C2CCNCC2)O1 ZINC000665264923 412207076 /nfs/dbraw/zinc/20/70/76/412207076.db2.gz LYFNZZHXDUIVQN-CMPLNLGQSA-N 1 3 212.337 1.286 10 0 BDAEHO C[C@H]([NH2+][C@H](CO)C1CCC1)[C@H]1CCCNC1 ZINC000665235065 412166114 /nfs/dbraw/zinc/16/61/14/412166114.db2.gz PBHHURWQFPDROB-WCFLWFBJSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](N[C@H](CO)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000665235065 412166118 /nfs/dbraw/zinc/16/61/18/412166118.db2.gz PBHHURWQFPDROB-WCFLWFBJSA-N 1 3 226.364 1.125 10 0 BDAEHO CC[C@]1(CNC[C@@H]2CCCCO2)CCC[NH2+]C1 ZINC000062862857 171723286 /nfs/dbraw/zinc/72/32/86/171723286.db2.gz ZVKYJBKXUHPWJS-KBPBESRZSA-N 1 3 240.391 1.925 10 0 BDAEHO CC[C@]1(C[NH2+]C[C@@H]2CCCCO2)CCCNC1 ZINC000062862857 171723287 /nfs/dbraw/zinc/72/32/87/171723287.db2.gz ZVKYJBKXUHPWJS-KBPBESRZSA-N 1 3 240.391 1.925 10 0 BDAEHO CN1CCC(Oc2ccccc2C(N)=[NH2+])CC1 ZINC000041019238 173000526 /nfs/dbraw/zinc/00/05/26/173000526.db2.gz FLXGAQQYNSCHNE-UHFFFAOYSA-N 1 3 233.315 1.444 10 0 BDAEHO CN1CCCN(C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000053864014 173014042 /nfs/dbraw/zinc/01/40/42/173014042.db2.gz IUAFZKBPUZEPNL-KBPBESRZSA-N 1 3 239.407 1.532 10 0 BDAEHO C[N@@H+]1CCC[C@H]1CCN1CC[C@@H](CCO)C1 ZINC000336697140 173054377 /nfs/dbraw/zinc/05/43/77/173054377.db2.gz HVXSSAVIFAXPEG-STQMWFEESA-N 1 3 226.364 1.175 10 0 BDAEHO C[N@H+]1CCC[C@H]1CCN1CC[C@@H](CCO)C1 ZINC000336697140 173054379 /nfs/dbraw/zinc/05/43/79/173054379.db2.gz HVXSSAVIFAXPEG-STQMWFEESA-N 1 3 226.364 1.175 10 0 BDAEHO CN1CC[C@H](C[NH2+]C[C@@H]2CCCCN2C)C1 ZINC000054242802 173147485 /nfs/dbraw/zinc/14/74/85/173147485.db2.gz ZFRNHSWXLFXSFQ-OLZOCXBDSA-N 1 3 225.380 1.012 10 0 BDAEHO C[NH2+]CCCNCCCc1ccccc1 ZINC000083344895 173348924 /nfs/dbraw/zinc/34/89/24/173348924.db2.gz IGAHZKHVTUQKSR-UHFFFAOYSA-N 1 3 206.333 1.818 10 0 BDAEHO CNCCC[NH2+]CCCc1ccccc1 ZINC000083344895 173348926 /nfs/dbraw/zinc/34/89/26/173348926.db2.gz IGAHZKHVTUQKSR-UHFFFAOYSA-N 1 3 206.333 1.818 10 0 BDAEHO CNC[C@@]1(C[N@@H+]2CCCC[C@@H]2C)CCCOC1 ZINC000104319886 173373001 /nfs/dbraw/zinc/37/30/01/173373001.db2.gz GNMNXHKOVMPVEI-UONOGXRCSA-N 1 3 240.391 1.877 10 0 BDAEHO CNC[C@@]1(C[N@H+]2CCCC[C@@H]2C)CCCOC1 ZINC000104319886 173373004 /nfs/dbraw/zinc/37/30/04/173373004.db2.gz GNMNXHKOVMPVEI-UONOGXRCSA-N 1 3 240.391 1.877 10 0 BDAEHO C[NH2+]C[C@@]1(CN2CCCC[C@@H]2C)CCCOC1 ZINC000104319886 173373005 /nfs/dbraw/zinc/37/30/05/173373005.db2.gz GNMNXHKOVMPVEI-UONOGXRCSA-N 1 3 240.391 1.877 10 0 BDAEHO CNC[C@@]1(C[N@H+](C)CC2CCCC2)CCOC1 ZINC000104367593 173373651 /nfs/dbraw/zinc/37/36/51/173373651.db2.gz PPHQPNPXXLADKS-CQSZACIVSA-N 1 3 240.391 1.735 10 0 BDAEHO CNC[C@@]1(C[N@@H+](C)CC2CCCC2)CCOC1 ZINC000104367593 173373653 /nfs/dbraw/zinc/37/36/53/173373653.db2.gz PPHQPNPXXLADKS-CQSZACIVSA-N 1 3 240.391 1.735 10 0 BDAEHO C[NH2+]C[C@@]1(CN(C)CC2CCCC2)CCOC1 ZINC000104367593 173373655 /nfs/dbraw/zinc/37/36/55/173373655.db2.gz PPHQPNPXXLADKS-CQSZACIVSA-N 1 3 240.391 1.735 10 0 BDAEHO COC1CC[NH+]([C@H]2CCC[C@H]2CN)CC1 ZINC000037265722 174032576 /nfs/dbraw/zinc/03/25/76/174032576.db2.gz XFJGOIUKVFXBLQ-JQWIXIFHSA-N 1 3 212.337 1.225 10 0 BDAEHO COC1CCN([C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000037265722 174032577 /nfs/dbraw/zinc/03/25/77/174032577.db2.gz XFJGOIUKVFXBLQ-JQWIXIFHSA-N 1 3 212.337 1.225 10 0 BDAEHO COCCC[N@H+](CCOC)[C@@H]1CCC[C@@H]1CN ZINC000042408709 174226381 /nfs/dbraw/zinc/22/63/81/174226381.db2.gz DJRVSYGEUDBDEP-CHWSQXEVSA-N 1 3 244.379 1.099 10 0 BDAEHO COCCC[N@@H+](CCOC)[C@@H]1CCC[C@@H]1CN ZINC000042408709 174226384 /nfs/dbraw/zinc/22/63/84/174226384.db2.gz DJRVSYGEUDBDEP-CHWSQXEVSA-N 1 3 244.379 1.099 10 0 BDAEHO COCC[N@H+](C1CC1)[C@@H]1C[C@@H](C)CC[C@H]1CN ZINC000042517609 174284537 /nfs/dbraw/zinc/28/45/37/174284537.db2.gz WYMOZTQVCJPNFN-SGMGOOAPSA-N 1 3 240.391 1.861 10 0 BDAEHO COCC[N@@H+](C1CC1)[C@@H]1C[C@@H](C)CC[C@H]1CN ZINC000042517609 174284539 /nfs/dbraw/zinc/28/45/39/174284539.db2.gz WYMOZTQVCJPNFN-SGMGOOAPSA-N 1 3 240.391 1.861 10 0 BDAEHO COCCN(C1CC1)[C@@H]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC000042517609 174284541 /nfs/dbraw/zinc/28/45/41/174284541.db2.gz WYMOZTQVCJPNFN-SGMGOOAPSA-N 1 3 240.391 1.861 10 0 BDAEHO COCC[C@H](C)[NH2+][C@H]1CCCNCC1 ZINC000160685062 174408019 /nfs/dbraw/zinc/40/80/19/174408019.db2.gz SJMJJQHHCJUTCY-QWRGUYRKSA-N 1 3 200.326 1.143 10 0 BDAEHO COc1ccc(CC[N@H+](C)[C@H](C)CCN)cc1 ZINC000049828328 175090834 /nfs/dbraw/zinc/09/08/34/175090834.db2.gz JWVDYZVTUDROAW-GFCCVEGCSA-N 1 3 236.359 1.907 10 0 BDAEHO COc1ccc(CC[N@@H+](C)[C@H](C)CCN)cc1 ZINC000049828328 175090836 /nfs/dbraw/zinc/09/08/36/175090836.db2.gz JWVDYZVTUDROAW-GFCCVEGCSA-N 1 3 236.359 1.907 10 0 BDAEHO C[C@@H]([C@@H]1CCCO1)N1CC[C@@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666225 176012462 /nfs/dbraw/zinc/01/24/62/176012462.db2.gz IGROWMUPWBFMQO-MQYQWHSLSA-N 1 3 240.391 1.874 10 0 BDAEHO C[C@@H]1CC[C@H]([NH3+])[C@H](CN2CCCO[C@H](C)C2)C1 ZINC000061934259 176229317 /nfs/dbraw/zinc/22/93/17/176229317.db2.gz SNLQJMLQDFUARP-MQYQWHSLSA-N 1 3 240.391 1.861 10 0 BDAEHO C[C@@H]1CSC(NC[C@H]2CCCN(C)C2)=[NH+]1 ZINC000044538330 176348811 /nfs/dbraw/zinc/34/88/11/176348811.db2.gz LHHKXIFFQPXGAT-NXEZZACHSA-N 1 3 227.377 1.409 10 0 BDAEHO C[C@@H]1CSC(NCC2CC[NH+](C)CC2)=N1 ZINC000044526497 176349104 /nfs/dbraw/zinc/34/91/04/176349104.db2.gz WEAAHQKMCAKQBU-SECBINFHSA-N 1 3 227.377 1.409 10 0 BDAEHO C[C@H]([C@H]1CCCO1)N1CCC[NH2+]CCC1 ZINC000049666240 177031673 /nfs/dbraw/zinc/03/16/73/177031673.db2.gz XAWZSKQWJDPAIN-VXGBXAGGSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@H]([C@H]1CCCO1)[NH+]1CCCNCCC1 ZINC000049666240 177031674 /nfs/dbraw/zinc/03/16/74/177031674.db2.gz XAWZSKQWJDPAIN-VXGBXAGGSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@H]1CCN(CCCn2ccnc2)[C@H](C[NH3+])C1 ZINC000104418222 177160995 /nfs/dbraw/zinc/16/09/95/177160995.db2.gz BHXAWAWIGNXURN-STQMWFEESA-N 1 3 236.363 1.332 10 0 BDAEHO C[C@H]1CC[N@H+](CCCn2ccnc2)[C@H](CN)C1 ZINC000104418222 177160996 /nfs/dbraw/zinc/16/09/96/177160996.db2.gz BHXAWAWIGNXURN-STQMWFEESA-N 1 3 236.363 1.332 10 0 BDAEHO C[C@H]1CC[N@@H+](CCCn2ccnc2)[C@H](CN)C1 ZINC000104418222 177160997 /nfs/dbraw/zinc/16/09/97/177160997.db2.gz BHXAWAWIGNXURN-STQMWFEESA-N 1 3 236.363 1.332 10 0 BDAEHO COCC(C)(C)CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400354911 226341756 /nfs/dbraw/zinc/34/17/56/226341756.db2.gz LSUKSMXWXMJFCA-MNOVXSKESA-N 1 3 214.353 1.247 10 0 BDAEHO CO[C@@H]1C[C@H](N[C@H](C)[C@H]2CC[NH2+]C2)C1(C)C ZINC000400386330 226342370 /nfs/dbraw/zinc/34/23/70/226342370.db2.gz LXNYCUNUFBQHBH-NOOOWODRSA-N 1 3 226.364 1.388 10 0 BDAEHO C[C@H](N[C@H]1COc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000400509975 226345225 /nfs/dbraw/zinc/34/52/25/226345225.db2.gz LGSWYHXZDPBWRU-IACUBPJLSA-N 1 3 246.354 1.578 10 0 BDAEHO C[C@H](N[C@H]1CCCSC1)[C@@H]1CC[NH2+]C1 ZINC000307227387 229402784 /nfs/dbraw/zinc/40/27/84/229402784.db2.gz DLKPQKAYOJNJCX-AXFHLTTASA-N 1 3 214.378 1.470 10 0 BDAEHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)C1 ZINC000250641365 487737449 /nfs/dbraw/zinc/73/74/49/487737449.db2.gz HKYDZCQMQKBYBU-NOOOWODRSA-N 1 3 212.337 1.149 10 0 BDAEHO C[C@H](CNC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000398338605 323006822 /nfs/dbraw/zinc/00/68/22/323006822.db2.gz FHGMPCODHFJEMK-OLZOCXBDSA-N 1 3 218.344 1.989 10 0 BDAEHO C[C@H](NC[C@H](O)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000562957167 323035097 /nfs/dbraw/zinc/03/50/97/323035097.db2.gz SHZHLUBXNCDHKN-DRZSPHRISA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H]([NH2+]C[C@H](O)C1CCC1)[C@H]1CCCNC1 ZINC000562957167 323035098 /nfs/dbraw/zinc/03/50/98/323035098.db2.gz SHZHLUBXNCDHKN-DRZSPHRISA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](NCCOC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000569918725 323044248 /nfs/dbraw/zinc/04/42/48/323044248.db2.gz MWNGUVZRWXXNLH-DTWKUNHWSA-N 1 3 240.269 1.501 10 0 BDAEHO C[C@H]([NH2+]CCOC(F)(F)F)[C@@H]1CCCNC1 ZINC000569918725 323044249 /nfs/dbraw/zinc/04/42/49/323044249.db2.gz MWNGUVZRWXXNLH-DTWKUNHWSA-N 1 3 240.269 1.501 10 0 BDAEHO CSC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000570153607 323051618 /nfs/dbraw/zinc/05/16/18/323051618.db2.gz NBXBMIJNXUNIBC-GARJFASQSA-N 1 3 216.394 1.716 10 0 BDAEHO CSC[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000570153607 323051619 /nfs/dbraw/zinc/05/16/19/323051619.db2.gz NBXBMIJNXUNIBC-GARJFASQSA-N 1 3 216.394 1.716 10 0 BDAEHO C[C@H](NCCN1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000570507933 323061712 /nfs/dbraw/zinc/06/17/12/323061712.db2.gz UUHORMSPDROIBN-UONOGXRCSA-N 1 3 237.391 1.226 10 0 BDAEHO C[C@H]([NH2+][C@@H](CO)C1CCCC1)[C@H]1CCCNC1 ZINC000566088737 325991786 /nfs/dbraw/zinc/99/17/86/325991786.db2.gz DJNVZUNBILFKEK-UBHSHLNASA-N 1 3 240.391 1.515 10 0 BDAEHO COC(=O)C(C)(C)CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566666220 326072481 /nfs/dbraw/zinc/07/24/81/326072481.db2.gz ZGCRRJCWZLACGF-GHMZBOCLSA-N 1 3 242.363 1.163 10 0 BDAEHO COC(=O)C(C)(C)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000566666220 326072482 /nfs/dbraw/zinc/07/24/82/326072482.db2.gz ZGCRRJCWZLACGF-GHMZBOCLSA-N 1 3 242.363 1.163 10 0 BDAEHO CCOCCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000566791113 326082428 /nfs/dbraw/zinc/08/24/28/326082428.db2.gz RORFQAVBASANGD-RYUDHWBXSA-N 1 3 214.353 1.391 10 0 BDAEHO C[C@H]([NH2+]CCCn1cccn1)[C@@H]1CCCNC1 ZINC000567603950 326227050 /nfs/dbraw/zinc/22/70/50/326227050.db2.gz DAFYOIOUQAEGPK-QWHCGFSZSA-N 1 3 236.363 1.251 10 0 BDAEHO C[C@@H]([NH2+]CCC(C)(C)O)[C@@H]1CCCNC1 ZINC000567647035 326237848 /nfs/dbraw/zinc/23/78/48/326237848.db2.gz NCTRAJOBPGBROM-GHMZBOCLSA-N 1 3 214.353 1.125 10 0 BDAEHO C[C@@H](NCCC(C)(C)O)[C@@H]1CCC[NH2+]C1 ZINC000567647035 326237852 /nfs/dbraw/zinc/23/78/52/326237852.db2.gz NCTRAJOBPGBROM-GHMZBOCLSA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)[N@H+](C)C[C@@H](O)CNC1(C(C)C)CC1 ZINC000379448700 488137078 /nfs/dbraw/zinc/13/70/78/488137078.db2.gz INEINAWZDIYDFN-LBPRGKRZSA-N 1 3 228.380 1.466 10 0 BDAEHO CC(C)[N@@H+](C)C[C@@H](O)CNC1(C(C)C)CC1 ZINC000379448700 488137083 /nfs/dbraw/zinc/13/70/83/488137083.db2.gz INEINAWZDIYDFN-LBPRGKRZSA-N 1 3 228.380 1.466 10 0 BDAEHO C(C[C@@H]1CCCO1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000127997089 490567178 /nfs/dbraw/zinc/56/71/78/490567178.db2.gz XSNCLKOMIIAARE-IHRRRGAJSA-N 1 3 238.375 1.772 10 0 BDAEHO C(C[C@@H]1CCCO1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000127997089 490567181 /nfs/dbraw/zinc/56/71/81/490567181.db2.gz XSNCLKOMIIAARE-IHRRRGAJSA-N 1 3 238.375 1.772 10 0 BDAEHO C[C@@H](NCC1(CO)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400359851 491122133 /nfs/dbraw/zinc/12/21/33/491122133.db2.gz PVGYCSGAKQCFFZ-CHWSQXEVSA-N 1 3 240.391 1.517 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCSC1)[C@@H]1CCCNC1 ZINC000560943273 491130770 /nfs/dbraw/zinc/13/07/70/491130770.db2.gz JANAIXYJPGLAMA-HBNTYKKESA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@H](N[C@@H]1CCSC1)[C@@H]1CCC[NH2+]C1 ZINC000560943273 491130771 /nfs/dbraw/zinc/13/07/71/491130771.db2.gz JANAIXYJPGLAMA-HBNTYKKESA-N 1 3 214.378 1.470 10 0 BDAEHO CC1CCC2(CC1)[NH2+]CCC1(CNC1)O2 ZINC000757145724 582528450 /nfs/dbraw/zinc/52/84/50/582528450.db2.gz ILEPFKDETUEZMX-UHFFFAOYSA-N 1 3 210.321 1.245 10 0 BDAEHO CCC1CCC2(CC1)[NH2+]CCC1(CNC1)O2 ZINC000757148393 582532906 /nfs/dbraw/zinc/53/29/06/582532906.db2.gz NEXIQIQZYWJNPI-UHFFFAOYSA-N 1 3 224.348 1.635 10 0 BDAEHO COC[C@H](C)C[N@@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757134884 582513312 /nfs/dbraw/zinc/51/33/12/582513312.db2.gz XFELTDUEADGMFW-RDBSUJKOSA-N 1 3 240.391 1.875 10 0 BDAEHO COC[C@H](C)C[N@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757134884 582513313 /nfs/dbraw/zinc/51/33/13/582513313.db2.gz XFELTDUEADGMFW-RDBSUJKOSA-N 1 3 240.391 1.875 10 0 BDAEHO COC[C@H](C)CN1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757134884 582513314 /nfs/dbraw/zinc/51/33/14/582513314.db2.gz XFELTDUEADGMFW-RDBSUJKOSA-N 1 3 240.391 1.875 10 0 BDAEHO CCN1CCC2(CC1)[NH2+][C@@H]1CCCC[C@@H]1CO2 ZINC000757139406 582519622 /nfs/dbraw/zinc/51/96/22/582519622.db2.gz GYZWVRIUMCNPLV-CHWSQXEVSA-N 1 3 238.375 1.977 10 0 BDAEHO Nc1cccc([C@@H]2CC[C@@H](C[NH3+])NC2)c1 ZINC000757218551 582562369 /nfs/dbraw/zinc/56/23/69/582562369.db2.gz WABHZXWLJGDTIV-PWSUYJOCSA-N 1 3 205.305 1.063 10 0 BDAEHO CC(C)N1CCN([C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396718810 583089267 /nfs/dbraw/zinc/08/92/67/583089267.db2.gz PMGJPXKZHHFJKA-STQMWFEESA-N 1 3 225.380 1.153 10 0 BDAEHO CC(=O)c1ccc([C@@H]2C[NH2+]CC[C@H]2N)cc1 ZINC000757213426 586439794 /nfs/dbraw/zinc/43/97/94/586439794.db2.gz KEIGGQGJKMKQHU-QWHCGFSZSA-N 1 3 218.300 1.293 10 0 BDAEHO CC(=O)c1ccc([C@@H]2CNCC[C@H]2[NH3+])cc1 ZINC000757213426 586439796 /nfs/dbraw/zinc/43/97/96/586439796.db2.gz KEIGGQGJKMKQHU-QWHCGFSZSA-N 1 3 218.300 1.293 10 0 BDAEHO N[C@@H]1CC[C@@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757213633 586439962 /nfs/dbraw/zinc/43/99/62/586439962.db2.gz LGBOEFDMKBOAFS-PWSUYJOCSA-N 1 3 215.300 1.920 10 0 BDAEHO N[C@@H]1CC[C@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757213635 586439971 /nfs/dbraw/zinc/43/99/71/586439971.db2.gz LGBOEFDMKBOAFS-ZYHUDNBSSA-N 1 3 215.300 1.920 10 0 BDAEHO Nc1cccc([C@@H]2CC[C@@H](C[NH3+])CN2)c1 ZINC000757215249 586440490 /nfs/dbraw/zinc/44/04/90/586440490.db2.gz MUJPBQXVAGDQEM-CABZTGNLSA-N 1 3 205.305 1.268 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1CCN[C@@H](C[NH3+])C1 ZINC000757239510 586444324 /nfs/dbraw/zinc/44/43/24/586444324.db2.gz UKMJQEHCVUGBCN-ZYHUDNBSSA-N 1 3 219.332 1.372 10 0 BDAEHO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000328556925 633776098 /nfs/dbraw/zinc/77/60/98/633776098.db2.gz AWWZANVYOIMZMF-ZNNZHFKNSA-N 1 3 206.333 1.371 10 0 BDAEHO CSC(C)(C)C[NH2+]C1CCNCC1 ZINC000229088068 640921093 /nfs/dbraw/zinc/92/10/93/640921093.db2.gz QQHIGDIUGWYWLX-UHFFFAOYSA-N 1 3 202.367 1.470 10 0 BDAEHO FC(F)(F)SCCNC1CC[NH2+]CC1 ZINC000231938867 641217516 /nfs/dbraw/zinc/21/75/16/641217516.db2.gz MYHMINLYKFSMNZ-UHFFFAOYSA-N 1 3 228.283 1.581 10 0 BDAEHO FC(F)(F)SCC[NH2+]C1CCNCC1 ZINC000231938867 641217521 /nfs/dbraw/zinc/21/75/21/641217521.db2.gz MYHMINLYKFSMNZ-UHFFFAOYSA-N 1 3 228.283 1.581 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@H]1Nc1ccnc2ccccc21 ZINC000721866751 711792306 /nfs/dbraw/zinc/79/23/06/711792306.db2.gz QOCZQHKGDXWQHC-QMTHXVAHSA-N 1 3 227.311 1.677 10 0 BDAEHO CCN1CC[C@@H]([NH3+])C12CCN(C1CC1)CC2 ZINC000685953823 538898839 /nfs/dbraw/zinc/89/88/39/538898839.db2.gz IVBUWOUOKKRUHF-GFCCVEGCSA-N 1 3 223.364 1.036 10 0 BDAEHO CC(C)N1CC[C@H]([NH3+])[C@@]12CCCSC2 ZINC000685952689 538896776 /nfs/dbraw/zinc/89/67/76/538896776.db2.gz CBPPPMBIHPJTRS-QWRGUYRKSA-N 1 3 214.378 1.694 10 0 BDAEHO CN(C)Cc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000062114026 349438049 /nfs/dbraw/zinc/43/80/49/349438049.db2.gz OPWRQNHKXZLNNN-LBPRGKRZSA-N 1 3 247.342 1.296 10 0 BDAEHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H]1CCCNC1 ZINC000576458616 365601174 /nfs/dbraw/zinc/60/11/74/365601174.db2.gz SXFIXMMQSDXOHE-YVECIDJPSA-N 1 3 226.364 1.268 10 0 BDAEHO C[C@@H](N[C@@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC000576458616 365601178 /nfs/dbraw/zinc/60/11/78/365601178.db2.gz SXFIXMMQSDXOHE-YVECIDJPSA-N 1 3 226.364 1.268 10 0 BDAEHO FC1(F)CCCC[C@@H]1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381701291 398270050 /nfs/dbraw/zinc/27/00/50/398270050.db2.gz OVBIAVFMWYLHQJ-SDDRHHMPSA-N 1 3 244.329 1.963 10 0 BDAEHO CCC[C@@H](C(=O)NCC[N@H+](C)C(C)C)N(C)C ZINC000130763727 323011948 /nfs/dbraw/zinc/01/19/48/323011948.db2.gz UAWXLFNAJLXSFO-LBPRGKRZSA-N 1 3 243.395 1.173 10 0 BDAEHO CCC[C@@H](C(=O)NCC[N@@H+](C)C(C)C)N(C)C ZINC000130763727 323011949 /nfs/dbraw/zinc/01/19/49/323011949.db2.gz UAWXLFNAJLXSFO-LBPRGKRZSA-N 1 3 243.395 1.173 10 0 BDAEHO Cc1cnn(CCN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000235953664 343067848 /nfs/dbraw/zinc/06/78/48/343067848.db2.gz KKMGCJJUNXJYNX-NWDGAFQWSA-N 1 3 222.336 1.051 10 0 BDAEHO CCN([C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC000405378565 343812290 /nfs/dbraw/zinc/81/22/90/343812290.db2.gz IKOALGKEPAGNQD-LLVKDONJSA-N 1 3 214.378 1.566 10 0 BDAEHO [NH3+]CCCN1CCC[C@@]2(CCCCO2)C1 ZINC000409425884 343820958 /nfs/dbraw/zinc/82/09/58/343820958.db2.gz HEPQZUKENCYTJC-LBPRGKRZSA-N 1 3 212.337 1.370 10 0 BDAEHO [NH3+]CCCN1C[C@H]2CCC(F)(F)[C@@H]2C1 ZINC000409433111 343826540 /nfs/dbraw/zinc/82/65/40/343826540.db2.gz XJCCDWVBOGRTHB-RKDXNWHRSA-N 1 3 204.264 1.312 10 0 BDAEHO [NH3+]C[C@@]12CC[C@H]1CN(Cc1ccccc1)C2 ZINC000409430129 343807527 /nfs/dbraw/zinc/80/75/27/343807527.db2.gz LIIHLGGEVZMUBJ-UONOGXRCSA-N 1 3 216.328 1.857 10 0 BDAEHO NC[C@@]12CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000409430129 343807529 /nfs/dbraw/zinc/80/75/29/343807529.db2.gz LIIHLGGEVZMUBJ-UONOGXRCSA-N 1 3 216.328 1.857 10 0 BDAEHO NC[C@@]12CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000409430129 343807530 /nfs/dbraw/zinc/80/75/30/343807530.db2.gz LIIHLGGEVZMUBJ-UONOGXRCSA-N 1 3 216.328 1.857 10 0 BDAEHO CC(C)C[C@@H]1C[N@@H+](C2CCNCC2)CC[C@H]1O ZINC000409435796 343839939 /nfs/dbraw/zinc/83/99/39/343839939.db2.gz WOPXZLYJMAQCBK-TZMCWYRMSA-N 1 3 240.391 1.467 10 0 BDAEHO CC(C)C[C@@H]1C[N@H+](C2CCNCC2)CC[C@H]1O ZINC000409435796 343839941 /nfs/dbraw/zinc/83/99/41/343839941.db2.gz WOPXZLYJMAQCBK-TZMCWYRMSA-N 1 3 240.391 1.467 10 0 BDAEHO CC(C)C[C@@H]1CN(C2CC[NH2+]CC2)CC[C@H]1O ZINC000409435796 343839942 /nfs/dbraw/zinc/83/99/42/343839942.db2.gz WOPXZLYJMAQCBK-TZMCWYRMSA-N 1 3 240.391 1.467 10 0 BDAEHO C[C@@H]1SCC[C@@]1(C[NH3+])N1CCCC1 ZINC000235333240 344887449 /nfs/dbraw/zinc/88/74/49/344887449.db2.gz AAKJVOSNXWLKGZ-UWVGGRQHSA-N 1 3 200.351 1.305 10 0 BDAEHO C([NH2+][C@H]1CCCC12CC2)[C@@H]1CCCNC1 ZINC000634998651 345198266 /nfs/dbraw/zinc/19/82/66/345198266.db2.gz JDFAICYFLKSVOO-NEPJUHHUSA-N 1 3 208.349 1.908 10 0 BDAEHO C[C@H]1CN(Cc2ccsc2)C[C@@H]1C[NH3+] ZINC000634998241 345198446 /nfs/dbraw/zinc/19/84/46/345198446.db2.gz CJPCEGHBWORHMF-ONGXEEELSA-N 1 3 210.346 1.775 10 0 BDAEHO C[C@H]1CC(C2=C[C@@H]([NH3+])CNC2)C[C@H](C)C1 ZINC000675077239 537893896 /nfs/dbraw/zinc/89/38/96/537893896.db2.gz BIKUCAGSYDWBIH-GIPNMCIBSA-N 1 3 208.349 1.916 10 0 BDAEHO CC(C)CCN1CCN(C2CC[NH2+]CC2)CC1 ZINC000257673282 345781077 /nfs/dbraw/zinc/78/10/77/345781077.db2.gz FFCCSCPWJGXFDV-UHFFFAOYSA-N 1 3 239.407 1.402 10 0 BDAEHO [NH3+]CCN1CCN([C@@H]2CCc3ccccc32)CC1 ZINC000034522526 345830873 /nfs/dbraw/zinc/83/08/73/345830873.db2.gz YABLKWFIOOTQGY-OAHLLOKOSA-N 1 3 245.370 1.250 10 0 BDAEHO C[C@H](COCc1ccccc1)NC1CC[NH2+]CC1 ZINC000390571683 259394011 /nfs/dbraw/zinc/39/40/11/259394011.db2.gz UDQZIVJDMDRZNL-CYBMUJFWSA-N 1 3 248.370 1.933 10 0 BDAEHO C[C@H](COCc1ccccc1)[NH2+]C1CCNCC1 ZINC000390571683 259394013 /nfs/dbraw/zinc/39/40/13/259394013.db2.gz UDQZIVJDMDRZNL-CYBMUJFWSA-N 1 3 248.370 1.933 10 0 BDAEHO C[NH2+]C[C@H]1CCCN([C@H]2CCSC2)C1 ZINC000250715504 362818306 /nfs/dbraw/zinc/81/83/06/362818306.db2.gz GZRAJPODPKZBQG-MNOVXSKESA-N 1 3 214.378 1.423 10 0 BDAEHO C[NH2+]C[C@H]1CCN([C@H]2CCCSC2)C1 ZINC000250768356 362819395 /nfs/dbraw/zinc/81/93/95/362819395.db2.gz UBZZTJZRQULCIR-MNOVXSKESA-N 1 3 214.378 1.423 10 0 BDAEHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000223029071 490237997 /nfs/dbraw/zinc/23/79/97/490237997.db2.gz DHBJHRDCXHSDCT-RNJOBUHISA-N 1 3 226.364 1.397 10 0 BDAEHO Cc1nccn1CCN1CCCC[C@H]1CC[NH3+] ZINC000070975624 180250766 /nfs/dbraw/zinc/25/07/66/180250766.db2.gz KFIJYSYAKROCHY-ZDUSSCGKSA-N 1 3 236.363 1.395 10 0 BDAEHO NCC[N@@H+]1CCCC[C@@H](c2cccnc2)C1 ZINC000616628389 351097505 /nfs/dbraw/zinc/09/75/05/351097505.db2.gz KKKXNHKBCYNCRU-CYBMUJFWSA-N 1 3 219.332 1.610 10 0 BDAEHO NCC[N@H+]1CCCC[C@@H](c2cccnc2)C1 ZINC000616628389 351097507 /nfs/dbraw/zinc/09/75/07/351097507.db2.gz KKKXNHKBCYNCRU-CYBMUJFWSA-N 1 3 219.332 1.610 10 0 BDAEHO NCC[N@@H+]1CCC[C@H](c2ccccn2)CC1 ZINC000616628743 351099589 /nfs/dbraw/zinc/09/95/89/351099589.db2.gz QMUPQQSOXSTQMX-LBPRGKRZSA-N 1 3 219.332 1.610 10 0 BDAEHO NCC[N@H+]1CCC[C@H](c2ccccn2)CC1 ZINC000616628743 351099591 /nfs/dbraw/zinc/09/95/91/351099591.db2.gz QMUPQQSOXSTQMX-LBPRGKRZSA-N 1 3 219.332 1.610 10 0 BDAEHO C[C@H](CN(C)Cc1ccccc1)NC1C[NH2+]C1 ZINC000306847514 351158714 /nfs/dbraw/zinc/15/87/14/351158714.db2.gz LJLOHVSHWWCAHH-GFCCVEGCSA-N 1 3 233.359 1.068 10 0 BDAEHO CC(C)(C)[N@@H+]1CCCOC[C@@H]1CCN ZINC000616646646 351172454 /nfs/dbraw/zinc/17/24/54/351172454.db2.gz SDXMLTNYMHHKSA-JTQLQIEISA-N 1 3 200.326 1.225 10 0 BDAEHO CC(C)(C)[N@H+]1CCCOC[C@@H]1CCN ZINC000616646646 351172456 /nfs/dbraw/zinc/17/24/56/351172456.db2.gz SDXMLTNYMHHKSA-JTQLQIEISA-N 1 3 200.326 1.225 10 0 BDAEHO CC(C)(C)N1CCCOC[C@@H]1CC[NH3+] ZINC000616646646 351172458 /nfs/dbraw/zinc/17/24/58/351172458.db2.gz SDXMLTNYMHHKSA-JTQLQIEISA-N 1 3 200.326 1.225 10 0 BDAEHO C[C@H]1CSCCN(C2CC([NH3+])C2)C1 ZINC000307076059 351464890 /nfs/dbraw/zinc/46/48/90/351464890.db2.gz KXTDZLJPHNBLJH-XNWIYYODSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@H]1CSCC[N@@H+](C2CC(N)C2)C1 ZINC000307076059 351464892 /nfs/dbraw/zinc/46/48/92/351464892.db2.gz KXTDZLJPHNBLJH-XNWIYYODSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@H]1CSCC[N@H+](C2CC(N)C2)C1 ZINC000307076059 351464896 /nfs/dbraw/zinc/46/48/96/351464896.db2.gz KXTDZLJPHNBLJH-XNWIYYODSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@H]1[C@H](N)CC[N@@H+]1CC1CC(F)(F)C1 ZINC000307254572 351789240 /nfs/dbraw/zinc/78/92/40/351789240.db2.gz XZXDHQDSMGBNAX-IONNQARKSA-N 1 3 204.264 1.453 10 0 BDAEHO C[C@H]1[C@H](N)CC[N@H+]1CC1CC(F)(F)C1 ZINC000307254572 351789244 /nfs/dbraw/zinc/78/92/44/351789244.db2.gz XZXDHQDSMGBNAX-IONNQARKSA-N 1 3 204.264 1.453 10 0 BDAEHO CSC1CCN(C2CC([NH3+])C2)CC1 ZINC000300872998 363092681 /nfs/dbraw/zinc/09/26/81/363092681.db2.gz QZSTVKLHHIAKOD-UHFFFAOYSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@H]1C[N@H+](C)CC[C@@H]1NC1CSC1 ZINC000307296366 351906994 /nfs/dbraw/zinc/90/69/94/351906994.db2.gz QSAJMHOYONZMBX-WPRPVWTQSA-N 1 3 200.351 1.032 10 0 BDAEHO C[C@H]1C[N@@H+](C)CC[C@@H]1NC1CSC1 ZINC000307296366 351906997 /nfs/dbraw/zinc/90/69/97/351906997.db2.gz QSAJMHOYONZMBX-WPRPVWTQSA-N 1 3 200.351 1.032 10 0 BDAEHO C[C@H]1CCCN1CC[C@H]1CSCC[NH2+]1 ZINC000252153516 363179790 /nfs/dbraw/zinc/17/97/90/363179790.db2.gz MWOUROAPROBJBG-QWRGUYRKSA-N 1 3 214.378 1.566 10 0 BDAEHO O[C@@H]1CC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000335247089 352430600 /nfs/dbraw/zinc/43/06/00/352430600.db2.gz ADWHVGAVOLHVEQ-ZIAGYGMSSA-N 1 3 238.375 1.506 10 0 BDAEHO C[C@@H]1CSC[C@H]1[N@@H+]1CC[C@@H](CN)C1 ZINC000307514915 352631727 /nfs/dbraw/zinc/63/17/27/352631727.db2.gz OYDXYOQZDJADEK-KXUCPTDWSA-N 1 3 200.351 1.019 10 0 BDAEHO C[C@@H]1CSC[C@H]1[N@H+]1CC[C@@H](CN)C1 ZINC000307514915 352631732 /nfs/dbraw/zinc/63/17/32/352631732.db2.gz OYDXYOQZDJADEK-KXUCPTDWSA-N 1 3 200.351 1.019 10 0 BDAEHO COc1ccc(CN(C)[C@H](C)CC[NH3+])cc1 ZINC000042441478 188119479 /nfs/dbraw/zinc/11/94/79/188119479.db2.gz MTUBWXLNSZCAOS-LLVKDONJSA-N 1 3 222.332 1.864 10 0 BDAEHO CC(C)[N@@H+]1CC[C@@H](CNC[C@@H]2CCCCO2)C1 ZINC000045134657 188123941 /nfs/dbraw/zinc/12/39/41/188123941.db2.gz KGNBCGCINNRLDM-KBPBESRZSA-N 1 3 240.391 1.875 10 0 BDAEHO CC(C)[N@H+]1CC[C@@H](CNC[C@@H]2CCCCO2)C1 ZINC000045134657 188123943 /nfs/dbraw/zinc/12/39/43/188123943.db2.gz KGNBCGCINNRLDM-KBPBESRZSA-N 1 3 240.391 1.875 10 0 BDAEHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC000045134657 188123944 /nfs/dbraw/zinc/12/39/44/188123944.db2.gz KGNBCGCINNRLDM-KBPBESRZSA-N 1 3 240.391 1.875 10 0 BDAEHO C[C@@H]1CN[C@H](C)CC[N@@H+](C2CCOCC2)C1 ZINC000049666378 188125760 /nfs/dbraw/zinc/12/57/60/188125760.db2.gz WETDZZSOPYUFHB-VXGBXAGGSA-N 1 3 226.364 1.485 10 0 BDAEHO C[C@@H]1CN[C@H](C)CC[N@H+](C2CCOCC2)C1 ZINC000049666378 188125761 /nfs/dbraw/zinc/12/57/61/188125761.db2.gz WETDZZSOPYUFHB-VXGBXAGGSA-N 1 3 226.364 1.485 10 0 BDAEHO CN1CC2(C1)C[C@@H](CC[NH3+])CCS2 ZINC000082382428 188173997 /nfs/dbraw/zinc/17/39/97/188173997.db2.gz IVPKDNNXGYAVKE-VIFPVBQESA-N 1 3 200.351 1.163 10 0 BDAEHO C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CSCCS1 ZINC000229587191 188159177 /nfs/dbraw/zinc/15/91/77/188159177.db2.gz NCYIWJMVJRIQCW-GHMZBOCLSA-N 1 3 246.445 1.567 10 0 BDAEHO C([NH2+][C@@H]1CCCNCC1)[C@@H]1CSCCS1 ZINC000229587191 188159178 /nfs/dbraw/zinc/15/91/78/188159178.db2.gz NCYIWJMVJRIQCW-GHMZBOCLSA-N 1 3 246.445 1.567 10 0 BDAEHO CCOC[C@@H]([NH2+]C1CCNCC1)C(C)C ZINC000233723999 363406209 /nfs/dbraw/zinc/40/62/09/363406209.db2.gz WVTJKRHWVXOCIZ-GFCCVEGCSA-N 1 3 214.353 1.389 10 0 BDAEHO CCOC[C@@H](NC1CC[NH2+]CC1)C(C)C ZINC000233723999 363406210 /nfs/dbraw/zinc/40/62/10/363406210.db2.gz WVTJKRHWVXOCIZ-GFCCVEGCSA-N 1 3 214.353 1.389 10 0 BDAEHO CC(C)CCOCC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000113515167 355251944 /nfs/dbraw/zinc/25/19/44/355251944.db2.gz DDHRTXQVFGODCY-AWEZNQCLSA-N 1 3 242.407 1.933 10 0 BDAEHO CC(C)CCOCC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000113515167 355251945 /nfs/dbraw/zinc/25/19/45/355251945.db2.gz DDHRTXQVFGODCY-AWEZNQCLSA-N 1 3 242.407 1.933 10 0 BDAEHO NC(=[NH2+])c1cccc(CN2CCCC2)c1 ZINC000019509854 181196160 /nfs/dbraw/zinc/19/61/60/181196160.db2.gz FRKLEAHGWQHTLT-UHFFFAOYSA-N 1 3 203.289 1.566 10 0 BDAEHO C[C@H]1CC(C2=C[C@H]([NH3+])CNC2)C[C@H](C)C1 ZINC000675077238 538512020 /nfs/dbraw/zinc/51/20/20/538512020.db2.gz BIKUCAGSYDWBIH-BREBYQMCSA-N 1 3 208.349 1.916 10 0 BDAEHO [NH3+][C@@H]1C[C@H](N2CCCCC2)C12CCOCC2 ZINC000685949314 538892667 /nfs/dbraw/zinc/89/26/67/538892667.db2.gz PBYBISMCTJFCAD-NEPJUHHUSA-N 1 3 224.348 1.369 10 0 BDAEHO CC[C@H]1CC[N@@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685950662 538893898 /nfs/dbraw/zinc/89/38/98/538893898.db2.gz DCYIYKIBEOSLNJ-QNWHQSFQSA-N 1 3 210.365 1.962 10 0 BDAEHO CC[C@H]1CC[N@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685950662 538893899 /nfs/dbraw/zinc/89/38/99/538893899.db2.gz DCYIYKIBEOSLNJ-QNWHQSFQSA-N 1 3 210.365 1.962 10 0 BDAEHO CO[C@H]1CCC[N@@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685951387 538894344 /nfs/dbraw/zinc/89/43/44/538894344.db2.gz RUUZHICKVWVEAJ-QNWHQSFQSA-N 1 3 226.364 1.341 10 0 BDAEHO CO[C@H]1CCC[N@H+]([C@H]2[C@H](C)CNC[C@@H]2C)C1 ZINC000685951387 538894346 /nfs/dbraw/zinc/89/43/46/538894346.db2.gz RUUZHICKVWVEAJ-QNWHQSFQSA-N 1 3 226.364 1.341 10 0 BDAEHO CCOC[C@@H](N[C@H]1CCC[NH2+]CC1)C(C)C ZINC000233755964 357744748 /nfs/dbraw/zinc/74/47/48/357744748.db2.gz GPJWIWIEMHKMDJ-QWHCGFSZSA-N 1 3 228.380 1.779 10 0 BDAEHO CCOC[C@@H]([NH2+][C@H]1CCCNCC1)C(C)C ZINC000233755964 357744752 /nfs/dbraw/zinc/74/47/52/357744752.db2.gz GPJWIWIEMHKMDJ-QWHCGFSZSA-N 1 3 228.380 1.779 10 0 BDAEHO C[C@H](NCCOCC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000578314080 366496508 /nfs/dbraw/zinc/49/65/08/366496508.db2.gz ZQZFKXHTBIIARD-VHSXEESVSA-N 1 3 236.306 1.246 10 0 BDAEHO C[C@H]([NH2+]CCOCC(F)F)[C@@H]1CCCNC1 ZINC000578314080 366496516 /nfs/dbraw/zinc/49/65/16/366496516.db2.gz ZQZFKXHTBIIARD-VHSXEESVSA-N 1 3 236.306 1.246 10 0 BDAEHO C[C@H]1CC[N@H+](CC2CNC2)CCS1 ZINC000306585835 360484845 /nfs/dbraw/zinc/48/48/45/360484845.db2.gz IFLFREUKJXTYPE-VIFPVBQESA-N 1 3 200.351 1.033 10 0 BDAEHO C[C@H]1CC[N@@H+](CC2CNC2)CCS1 ZINC000306585835 360484846 /nfs/dbraw/zinc/48/48/46/360484846.db2.gz IFLFREUKJXTYPE-VIFPVBQESA-N 1 3 200.351 1.033 10 0 BDAEHO C[C@H]([NH2+]CCC[C@H]1CCOC1)[C@H]1CCCNC1 ZINC000579342242 366761976 /nfs/dbraw/zinc/76/19/76/366761976.db2.gz ZDWBVOHAUYWEEP-IHRRRGAJSA-N 1 3 240.391 1.781 10 0 BDAEHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCCNCC2)C1 ZINC000629555588 361447423 /nfs/dbraw/zinc/44/74/23/361447423.db2.gz YLBCRCOQJDCTCG-SDDRHHMPSA-N 1 3 212.337 1.143 10 0 BDAEHO [NH3+]CCCCCN1CCN(C2CCCC2)CC1 ZINC000037049322 181375511 /nfs/dbraw/zinc/37/55/11/181375511.db2.gz NROFQNOTXMNBDG-UHFFFAOYSA-N 1 3 239.407 1.676 10 0 BDAEHO [NH3+]CCCN1CCC(c2ccccn2)CC1 ZINC000027745850 181379310 /nfs/dbraw/zinc/37/93/10/181379310.db2.gz WYJZKSPZJQCMII-UHFFFAOYSA-N 1 3 219.332 1.610 10 0 BDAEHO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@H]1CCCNC1 ZINC000575372894 365303220 /nfs/dbraw/zinc/30/32/20/365303220.db2.gz CRTQLJLTMJINCY-XDQVBPFNSA-N 1 3 240.391 1.515 10 0 BDAEHO CCC(CC)(CO)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000579941821 367092623 /nfs/dbraw/zinc/09/26/23/367092623.db2.gz APVVYNWWFCUZOI-STQMWFEESA-N 1 3 242.407 1.763 10 0 BDAEHO CCC(CC)(CO)CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000579941821 367092628 /nfs/dbraw/zinc/09/26/28/367092628.db2.gz APVVYNWWFCUZOI-STQMWFEESA-N 1 3 242.407 1.763 10 0 BDAEHO COCCN(C)Cc1ccc(C[NH3+])cc1 ZINC000037895171 371321425 /nfs/dbraw/zinc/32/14/25/371321425.db2.gz SREYNFLNACAIKD-UHFFFAOYSA-N 1 3 208.305 1.224 10 0 BDAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(N)=[NH2+] ZINC000306876908 372074438 /nfs/dbraw/zinc/07/44/38/372074438.db2.gz CBMGVEHJPYJJIR-YPMHNXCESA-N 1 3 246.358 1.380 10 0 BDAEHO C[C@@H]1CN(CCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631836567 372624892 /nfs/dbraw/zinc/62/48/92/372624892.db2.gz BRDXYKONKARCCD-HIFRSBDPSA-N 1 3 248.370 1.730 10 0 BDAEHO CC(C)OCCC[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631839086 372633442 /nfs/dbraw/zinc/63/34/42/372633442.db2.gz AAPGWXSXSNHPNN-NWDGAFQWSA-N 1 3 214.353 1.328 10 0 BDAEHO CC(C)OCCC[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631839086 372633448 /nfs/dbraw/zinc/63/34/48/372633448.db2.gz AAPGWXSXSNHPNN-NWDGAFQWSA-N 1 3 214.353 1.328 10 0 BDAEHO COCc1cccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838890 372634376 /nfs/dbraw/zinc/63/43/76/372634376.db2.gz WNLLCTYAIKEGJR-DOMZBBRYSA-N 1 3 248.370 1.860 10 0 BDAEHO CC(C)OCCC[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631839085 372634709 /nfs/dbraw/zinc/63/47/09/372634709.db2.gz AAPGWXSXSNHPNN-NEPJUHHUSA-N 1 3 214.353 1.328 10 0 BDAEHO CC(C)OCCC[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631839085 372634714 /nfs/dbraw/zinc/63/47/14/372634714.db2.gz AAPGWXSXSNHPNN-NEPJUHHUSA-N 1 3 214.353 1.328 10 0 BDAEHO OC[C@@H]1CC[N@H+](CCCN2CCCCCC2)C1 ZINC000049474442 183122961 /nfs/dbraw/zinc/12/29/61/183122961.db2.gz YMZKBSQATOBTIP-CQSZACIVSA-N 1 3 240.391 1.567 10 0 BDAEHO OC[C@@H]1CC[N@@H+](CCCN2CCCCCC2)C1 ZINC000049474442 183122964 /nfs/dbraw/zinc/12/29/64/183122964.db2.gz YMZKBSQATOBTIP-CQSZACIVSA-N 1 3 240.391 1.567 10 0 BDAEHO CCCN(CCN(C)C)C(=O)C(C)(C)[NH2+]CC ZINC000061299304 169156808 /nfs/dbraw/zinc/15/68/08/169156808.db2.gz VTNFBNWNWJUPNL-UHFFFAOYSA-N 1 3 243.395 1.175 10 0 BDAEHO CCCN(CCN(C)C)[C@H](C[NH2+]CC)C(C)C ZINC000052544097 169158697 /nfs/dbraw/zinc/15/86/97/169158697.db2.gz DJZQWRHTHIQYQS-CQSZACIVSA-N 1 3 243.439 1.894 10 0 BDAEHO CCCN1CCN(C2(C[NH3+])CCCCC2)CC1 ZINC000019518681 169202360 /nfs/dbraw/zinc/20/23/60/169202360.db2.gz XJNLSEPYJUWEMR-UHFFFAOYSA-N 1 3 239.407 1.676 10 0 BDAEHO CCCN1CCN(C[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053860714 169203400 /nfs/dbraw/zinc/20/34/00/169203400.db2.gz QPBZORNFHNNVKP-OLZOCXBDSA-N 1 3 225.380 1.141 10 0 BDAEHO CCCN1CCN([C@](C)(C[NH3+])CCC)CC1 ZINC000019518357 169204756 /nfs/dbraw/zinc/20/47/56/169204756.db2.gz JFROZSVLFXPMNK-ZDUSSCGKSA-N 1 3 227.396 1.532 10 0 BDAEHO CCC[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000037267480 169256073 /nfs/dbraw/zinc/25/60/73/169256073.db2.gz SSJIDHWHKPAOJQ-UHFFFAOYSA-N 1 3 239.407 1.545 10 0 BDAEHO CCC[NH2+][C@H](C)[C@@H]1CCCN(CCN(C)C)C1 ZINC000104421689 169285710 /nfs/dbraw/zinc/28/57/10/169285710.db2.gz OKECURDVGIMDIX-ZIAGYGMSSA-N 1 3 241.423 1.648 10 0 BDAEHO CCC[NH2+][C@H]1CCCC[C@H]1N(C)CCN(C)C ZINC000104202028 169290402 /nfs/dbraw/zinc/29/04/02/169290402.db2.gz VCLFWHLYQRHFMY-UONOGXRCSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+][C@@H](C)CCN1CCN(CC)[C@H](C)C1 ZINC000104137073 169275254 /nfs/dbraw/zinc/27/52/54/169275254.db2.gz BEURULBGRCWKDW-UONOGXRCSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+][C@@H](C)CN1CCN(CC(C)C)CC1 ZINC000055079384 169275442 /nfs/dbraw/zinc/27/54/42/169275442.db2.gz SHIACWYJNKCLSZ-AWEZNQCLSA-N 1 3 241.423 1.648 10 0 BDAEHO CCC[C@@H](C)CN1CCN([C@@H](CC)C[NH3+])CC1 ZINC000104052458 169357521 /nfs/dbraw/zinc/35/75/21/169357521.db2.gz KZSVWZUOHAUBCG-KGLIPLIRSA-N 1 3 241.423 1.778 10 0 BDAEHO CCC[C@@H](N)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029511 169389898 /nfs/dbraw/zinc/38/98/98/169389898.db2.gz LWUDOHZSLRQLON-VXGBXAGGSA-N 1 3 241.379 1.104 10 0 BDAEHO CC[NH+](CC)CCN1CCCN(C2CC2)CC1 ZINC000179290966 134318803 /nfs/dbraw/zinc/31/88/03/134318803.db2.gz QXBIWGGDRVYYDW-UHFFFAOYSA-N 1 3 239.407 1.498 10 0 BDAEHO [NH3+][C@H]1CCCC[C@H]1CN1CCSCC1 ZINC000060743752 383840648 /nfs/dbraw/zinc/84/06/48/383840648.db2.gz XAWAUWTUQHTTTN-QWRGUYRKSA-N 1 3 214.378 1.553 10 0 BDAEHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000068590913 384001926 /nfs/dbraw/zinc/00/19/26/384001926.db2.gz CZRLDAXSBGABDL-KGLIPLIRSA-N 1 3 218.344 1.946 10 0 BDAEHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1 ZINC000068590913 384001928 /nfs/dbraw/zinc/00/19/28/384001928.db2.gz CZRLDAXSBGABDL-KGLIPLIRSA-N 1 3 218.344 1.946 10 0 BDAEHO C[C@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCCNC1 ZINC000572593272 384175769 /nfs/dbraw/zinc/17/57/69/384175769.db2.gz ANJMYUYUYFRWCP-QWHCGFSZSA-N 1 3 240.391 1.659 10 0 BDAEHO C[C@H](NCC1(O)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000572593272 384175773 /nfs/dbraw/zinc/17/57/73/384175773.db2.gz ANJMYUYUYFRWCP-QWHCGFSZSA-N 1 3 240.391 1.659 10 0 BDAEHO C[NH+](C)C[C@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC000095074243 384350903 /nfs/dbraw/zinc/35/09/03/384350903.db2.gz OHDTZRJUOWDDLP-CABCVRRESA-N 1 3 248.370 1.431 10 0 BDAEHO C[C@H](N[C@H]1CC[C@H]([NH3+])CC1)c1cnccn1 ZINC000100256589 384627255 /nfs/dbraw/zinc/62/72/55/384627255.db2.gz MMEXWKAMBZHGLP-GARJFASQSA-N 1 3 220.320 1.397 10 0 BDAEHO [NH3+][C@@H](CCO)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000100278769 384630296 /nfs/dbraw/zinc/63/02/96/384630296.db2.gz PYWOWVDBIHYQJK-CABCVRRESA-N 1 3 248.370 1.608 10 0 BDAEHO NC[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccccc1 ZINC000044672471 385221541 /nfs/dbraw/zinc/22/15/41/385221541.db2.gz UOCGLNOTFZZOEA-STQMWFEESA-N 1 3 202.301 1.610 10 0 BDAEHO NC[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1 ZINC000044672471 385221542 /nfs/dbraw/zinc/22/15/42/385221542.db2.gz UOCGLNOTFZZOEA-STQMWFEESA-N 1 3 202.301 1.610 10 0 BDAEHO COC[C@H]([NH2+][C@H]1CCC[C@@H]1CN)C1CC1 ZINC000397254891 385415403 /nfs/dbraw/zinc/41/54/03/385415403.db2.gz QQLGEFZSLOLMNT-WOPDTQHZSA-N 1 3 212.337 1.128 10 0 BDAEHO C(C[NH2+][C@H]1CCCNCC1)C[C@@H]1CCOC1 ZINC000401920006 386428496 /nfs/dbraw/zinc/42/84/96/386428496.db2.gz DNYOCMMEHVGCQY-OLZOCXBDSA-N 1 3 226.364 1.535 10 0 BDAEHO COc1c(F)cccc1[C@@H](N)CCCC[NH3+] ZINC000575440189 387127326 /nfs/dbraw/zinc/12/73/26/387127326.db2.gz MVJCALSTIIQSNQ-NSHDSACASA-N 1 3 226.295 1.963 10 0 BDAEHO C[C@@H]1CSC[C@H]1[N@@H+]1CCC[C@@H](N)C1 ZINC000306445654 387166067 /nfs/dbraw/zinc/16/60/67/387166067.db2.gz QZGVGLCNNAOBLE-OPRDCNLKSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1CSC[C@H]1[N@H+]1CCC[C@@H](N)C1 ZINC000306445654 387166069 /nfs/dbraw/zinc/16/60/69/387166069.db2.gz QZGVGLCNNAOBLE-OPRDCNLKSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1CCSC1 ZINC000575588310 387184377 /nfs/dbraw/zinc/18/43/77/387184377.db2.gz AJDDXYGNDHXMGQ-BBBLOLIVSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@@H]([NH3+])CN1[C@H]1CSC[C@H]1C ZINC000575590166 387202730 /nfs/dbraw/zinc/20/27/30/387202730.db2.gz GIUXMMKZRFVOAA-KYXWUPHJSA-N 1 3 200.351 1.159 10 0 BDAEHO CC1C[NH+]([C@@]2(CN)CS[C@@H](C)C2)C1 ZINC000575494425 387278108 /nfs/dbraw/zinc/27/81/08/387278108.db2.gz RLYJZYNNDZYXLC-UWVGGRQHSA-N 1 3 200.351 1.161 10 0 BDAEHO N[C@@H](CC[NH3+])c1ccc(Br)cc1 ZINC000259491496 387302763 /nfs/dbraw/zinc/30/27/63/387302763.db2.gz SZXJJTQKQFOFMN-VIFPVBQESA-N 1 3 229.121 1.798 10 0 BDAEHO CN(CCC[NH+]1CCCC1)[C@@H]1CCC[C@H]1O ZINC000352668002 387429508 /nfs/dbraw/zinc/42/95/08/387429508.db2.gz OVTQRPRNFKMBHH-CHWSQXEVSA-N 1 3 226.364 1.318 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@H]1CCC[NH2+]CC1 ZINC000324619854 387469608 /nfs/dbraw/zinc/46/96/08/387469608.db2.gz PLDOJZMXNANDOL-WDEREUQCSA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCCNCC1 ZINC000324619854 387469612 /nfs/dbraw/zinc/46/96/12/387469612.db2.gz PLDOJZMXNANDOL-WDEREUQCSA-N 1 3 214.353 1.125 10 0 BDAEHO C[C@@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CCCNC1 ZINC000643471297 387480349 /nfs/dbraw/zinc/48/03/49/387480349.db2.gz OXVCXKPISVAEKL-NELGMTEASA-N 1 3 240.391 1.515 10 0 BDAEHO CC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000643472666 387484863 /nfs/dbraw/zinc/48/48/63/387484863.db2.gz TXNMMCAGAVSNQP-UTUOFQBUSA-N 1 3 214.353 1.125 10 0 BDAEHO CC[C@](C)(O)CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643472666 387484867 /nfs/dbraw/zinc/48/48/67/387484867.db2.gz TXNMMCAGAVSNQP-UTUOFQBUSA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)(C)NCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000324640388 387489872 /nfs/dbraw/zinc/48/98/72/387489872.db2.gz XDDRJBMHMDPZBJ-SNVBAGLBSA-N 1 3 216.369 1.371 10 0 BDAEHO CS[C@@H]1CC[C@@H]1N1CCC([NH3+])CC1 ZINC000575567214 387735498 /nfs/dbraw/zinc/73/54/98/387735498.db2.gz YRYHOBLVIAWDAM-VHSXEESVSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCNC2)C[C@H](C)O1 ZINC000423104065 387889872 /nfs/dbraw/zinc/88/98/72/387889872.db2.gz PTFIFGWDQQDUFQ-USZNOCQGSA-N 1 3 212.337 1.142 10 0 BDAEHO CCC[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)OC ZINC000643491488 387892355 /nfs/dbraw/zinc/89/23/55/387892355.db2.gz NBIZAHYWVGJOTL-FRRDWIJNSA-N 1 3 228.380 1.779 10 0 BDAEHO CO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CC[NH2+]C2)C12CCC2 ZINC000423172065 387958917 /nfs/dbraw/zinc/95/89/17/387958917.db2.gz RDSKBWCRGKSWQF-FVCCEPFGSA-N 1 3 238.375 1.532 10 0 BDAEHO CN1CCC[C@H]2C[N@@H+](C3CCC3)CC[C@H]21 ZINC000245584705 387963553 /nfs/dbraw/zinc/96/35/53/387963553.db2.gz DAHQLXBLVVDNQD-WCQYABFASA-N 1 3 208.349 1.955 10 0 BDAEHO CN1CCC[C@H]2C[N@H+](C3CCC3)CC[C@H]21 ZINC000245584705 387963555 /nfs/dbraw/zinc/96/35/55/387963555.db2.gz DAHQLXBLVVDNQD-WCQYABFASA-N 1 3 208.349 1.955 10 0 BDAEHO C[C@@H]1CC[C@H](CN(C)[C@H]2CCC[NH2+]CC2)O1 ZINC000300232652 388356580 /nfs/dbraw/zinc/35/65/80/388356580.db2.gz HOHHSTDJVKTSCG-FRRDWIJNSA-N 1 3 226.364 1.628 10 0 BDAEHO CC[C@H]([NH2+][C@H]1CCCNCC1)C(C)(C)O ZINC000394005863 388448737 /nfs/dbraw/zinc/44/87/37/388448737.db2.gz UWBCHPIDISVBAJ-QWRGUYRKSA-N 1 3 214.353 1.268 10 0 BDAEHO CCCCOCCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000573082345 388417777 /nfs/dbraw/zinc/41/77/77/388417777.db2.gz RUMHNZWUZDGMAN-QWHCGFSZSA-N 1 3 228.380 1.781 10 0 BDAEHO CCCCOCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000573082345 388417779 /nfs/dbraw/zinc/41/77/79/388417779.db2.gz RUMHNZWUZDGMAN-QWHCGFSZSA-N 1 3 228.380 1.781 10 0 BDAEHO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)[C@@H]1CCCNC1 ZINC000530225581 388635820 /nfs/dbraw/zinc/63/58/20/388635820.db2.gz OMRICHGTYBYXQR-WZBKEBKWSA-N 1 3 240.391 1.776 10 0 BDAEHO C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000530225581 388635822 /nfs/dbraw/zinc/63/58/22/388635822.db2.gz OMRICHGTYBYXQR-WZBKEBKWSA-N 1 3 240.391 1.776 10 0 BDAEHO CC(C)[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000565533644 388951549 /nfs/dbraw/zinc/95/15/49/388951549.db2.gz GDGRKGJZHOESNI-YNEHKIRRSA-N 1 3 228.380 1.371 10 0 BDAEHO CC(C)[C@](C)(O)CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000565533644 388951552 /nfs/dbraw/zinc/95/15/52/388951552.db2.gz GDGRKGJZHOESNI-YNEHKIRRSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H]1CCCNC1 ZINC000566088880 388986739 /nfs/dbraw/zinc/98/67/39/388986739.db2.gz FOVQISWERCHGML-NEPJUHHUSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@@H](NCC(C)(C)C(C)(C)O)[C@H]1CCC[NH2+]C1 ZINC000566088880 388986741 /nfs/dbraw/zinc/98/67/41/388986741.db2.gz FOVQISWERCHGML-NEPJUHHUSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@H]1NC(=N)NC(=[NH2+])N1c1ccc(Cl)cc1 ZINC000002034278 132308627 /nfs/dbraw/zinc/30/86/27/132308627.db2.gz WHWDLTBBQLJYCJ-LURJTMIESA-N 1 3 237.694 1.135 10 0 BDAEHO C[C@@H](NCCOC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400355980 533398071 /nfs/dbraw/zinc/39/80/71/533398071.db2.gz OMUABONOHQRPLK-CHWSQXEVSA-N 1 3 240.391 1.923 10 0 BDAEHO Cc1cc(N2C[C@H](C)N(C)[C@@H](C)C2)cc[nH+]1 ZINC000302511290 132264166 /nfs/dbraw/zinc/26/41/66/132264166.db2.gz XICWKKGEBTXAEF-RYUDHWBXSA-N 1 3 219.332 1.919 10 0 BDAEHO Cc1nc2ccc(N3CC[NH2+]CC3)cc2[nH]1 ZINC000071519776 132392627 /nfs/dbraw/zinc/39/26/27/132392627.db2.gz YNKZALSKSVXONN-UHFFFAOYSA-N 1 3 216.288 1.281 10 0 BDAEHO CC1(C)CN(CC2CCOCC2)CC[C@@H]1[NH3+] ZINC000261582058 135222601 /nfs/dbraw/zinc/22/26/01/135222601.db2.gz OALVQOBKJWZXIC-LBPRGKRZSA-N 1 3 226.364 1.472 10 0 BDAEHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)CC(C)(C)C1 ZINC000263312039 135345651 /nfs/dbraw/zinc/34/56/51/135345651.db2.gz YVMOPWRXFCUICC-MROQNXINSA-N 1 3 240.391 1.371 10 0 BDAEHO C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)CC(C)(C)C1 ZINC000263312039 135345652 /nfs/dbraw/zinc/34/56/52/135345652.db2.gz YVMOPWRXFCUICC-MROQNXINSA-N 1 3 240.391 1.371 10 0 BDAEHO CC(C)[NH2+]C[C@@H]1CCN(C2CCOCC2)C1 ZINC000053031288 167112526 /nfs/dbraw/zinc/11/25/26/167112526.db2.gz VVNKFLMUDSXMJP-LBPRGKRZSA-N 1 3 226.364 1.485 10 0 BDAEHO CC(C)[NH2+]C[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000053031036 167113246 /nfs/dbraw/zinc/11/32/46/167113246.db2.gz ZQXRVKXVOOJHFB-ZDUSSCGKSA-N 1 3 239.407 1.401 10 0 BDAEHO COC[C@H](CC[NH2+][C@H](C)[C@@H]1CCCNC1)OC ZINC000665235628 410726029 /nfs/dbraw/zinc/72/60/29/410726029.db2.gz XKQNYQULJLTQNP-UPJWGTAASA-N 1 3 244.379 1.016 10 0 BDAEHO CC(C)[NH2+]C[C@H]1CCN(CC2CCOCC2)C1 ZINC000104196081 167114633 /nfs/dbraw/zinc/11/46/33/167114633.db2.gz MUDWIRCEWUWXPW-CQSZACIVSA-N 1 3 240.391 1.733 10 0 BDAEHO CC(C)NCc1occc1COCC[NH+](C)C ZINC000052669611 167123733 /nfs/dbraw/zinc/12/37/33/167123733.db2.gz NSSAPAJOAZRVHP-UHFFFAOYSA-N 1 3 240.347 1.856 10 0 BDAEHO COCC1(CN[C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000656199904 411205042 /nfs/dbraw/zinc/20/50/42/411205042.db2.gz GJGLZJHTIXKAOR-GHMZBOCLSA-N 1 3 212.337 1.001 10 0 BDAEHO C[C@H](N[C@@H]1CCS[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000307274836 411470009 /nfs/dbraw/zinc/47/00/09/411470009.db2.gz OVFNDRAZWCQRKY-ZRUFSTJUSA-N 1 3 214.378 1.468 10 0 BDAEHO CC[N@@H+]1CC[C@@H](CNC2=NC(C)(C)CS2)C1 ZINC000037484498 170008756 /nfs/dbraw/zinc/00/87/56/170008756.db2.gz FSEMAHVYUVOELU-JTQLQIEISA-N 1 3 241.404 1.799 10 0 BDAEHO CC[N@H+]1CC[C@@H](CNC2=NC(C)(C)CS2)C1 ZINC000037484498 170008757 /nfs/dbraw/zinc/00/87/57/170008757.db2.gz FSEMAHVYUVOELU-JTQLQIEISA-N 1 3 241.404 1.799 10 0 BDAEHO CCNC[C@@]1(C[N@H+](CC)CC(C)C)CCOC1 ZINC000051214905 170121211 /nfs/dbraw/zinc/12/12/11/170121211.db2.gz JUWUSUGYFLIKJA-CQSZACIVSA-N 1 3 242.407 1.981 10 0 BDAEHO CCNC[C@@]1(C[N@@H+](CC)CC(C)C)CCOC1 ZINC000051214905 170121213 /nfs/dbraw/zinc/12/12/13/170121213.db2.gz JUWUSUGYFLIKJA-CQSZACIVSA-N 1 3 242.407 1.981 10 0 BDAEHO CC[NH2+]C[C@@]1(CN(CC)CC(C)C)CCOC1 ZINC000051214905 170121215 /nfs/dbraw/zinc/12/12/15/170121215.db2.gz JUWUSUGYFLIKJA-CQSZACIVSA-N 1 3 242.407 1.981 10 0 BDAEHO CC[NH2+]C[C@@H]1CC[C@H](CN(CC)CCOC)O1 ZINC000052542777 170121292 /nfs/dbraw/zinc/12/12/92/170121292.db2.gz RVTOYABDGNKDME-QWHCGFSZSA-N 1 3 244.379 1.112 10 0 BDAEHO CC[NH2+][C@@H]1CCN([C@@H]2CCCN(C)C2)C[C@@H]1C ZINC000049713209 170152506 /nfs/dbraw/zinc/15/25/06/170152506.db2.gz DUHQFKYHYWRUCF-BFHYXJOUSA-N 1 3 239.407 1.401 10 0 BDAEHO CCOC1CCN(C[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000053870220 170332596 /nfs/dbraw/zinc/33/25/96/170332596.db2.gz WOAJRIPVUPNIKY-DGCLKSJQSA-N 1 3 226.364 1.615 10 0 BDAEHO CC[C@@H]1CN(CC[NH2+]C(C)(C)CC)CCN1C ZINC000104137404 171081999 /nfs/dbraw/zinc/08/19/99/171081999.db2.gz CXSNGQKMNUOEGG-CYBMUJFWSA-N 1 3 241.423 1.791 10 0 BDAEHO CC[C@H](C)N1CCN(CCC[NH2+]C(C)C)CC1 ZINC000055066835 171318428 /nfs/dbraw/zinc/31/84/28/171318428.db2.gz RECCDORXBQGOSH-AWEZNQCLSA-N 1 3 241.423 1.791 10 0 BDAEHO CC[C@H](C)N1CCN([C@@H](CC)CC[NH3+])CC1 ZINC000037049594 171318713 /nfs/dbraw/zinc/31/87/13/171318713.db2.gz HJIHYWWEYCPSDI-STQMWFEESA-N 1 3 227.396 1.530 10 0 BDAEHO CC[C@H](C)[NH2+]CC(=O)N[C@@H](CN(C)C)C(C)C ZINC000049221257 171339869 /nfs/dbraw/zinc/33/98/69/171339869.db2.gz PGYOEVQFZSVYIG-RYUDHWBXSA-N 1 3 243.395 1.077 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000665263404 412205784 /nfs/dbraw/zinc/20/57/84/412205784.db2.gz LSZZCEDEHGNAGK-WZRBSPASSA-N 1 3 208.349 1.764 10 0 BDAEHO CCC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623408 412246011 /nfs/dbraw/zinc/24/60/11/412246011.db2.gz XRVDLKJHCYOAEI-WDEREUQCSA-N 1 3 241.379 1.103 10 0 BDAEHO CCC[C@@H](N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623408 412246015 /nfs/dbraw/zinc/24/60/15/412246015.db2.gz XRVDLKJHCYOAEI-WDEREUQCSA-N 1 3 241.379 1.103 10 0 BDAEHO C[NH2+]C[C@@H](C)Nc1cc(C)nc2ccccc21 ZINC000663279731 412408343 /nfs/dbraw/zinc/40/83/43/412408343.db2.gz VEQPHKQCDFNUIQ-LLVKDONJSA-N 1 3 229.327 1.985 10 0 BDAEHO C[N@@H+]1CCC[C@](CN)(c2cccs2)C1 ZINC000077304289 173061917 /nfs/dbraw/zinc/06/19/17/173061917.db2.gz SDKKOHVJZKPYEW-LLVKDONJSA-N 1 3 210.346 1.670 10 0 BDAEHO C[N@H+]1CCC[C@](CN)(c2cccs2)C1 ZINC000077304289 173061919 /nfs/dbraw/zinc/06/19/19/173061919.db2.gz SDKKOHVJZKPYEW-LLVKDONJSA-N 1 3 210.346 1.670 10 0 BDAEHO CN1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000034449467 173080662 /nfs/dbraw/zinc/08/06/62/173080662.db2.gz BVCMUQFVEZNORB-UHFFFAOYSA-N 1 3 225.380 1.014 10 0 BDAEHO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCN(C)C ZINC000054601579 173324401 /nfs/dbraw/zinc/32/44/01/173324401.db2.gz JNZDKWTZARJCMG-YHWZYXNKSA-N 1 3 225.380 1.153 10 0 BDAEHO C[NH2+]C[C@@H](C)CN1CCCSCC1 ZINC000052371004 173364170 /nfs/dbraw/zinc/36/41/70/173364170.db2.gz QMLMXCJLCPMRNJ-SNVBAGLBSA-N 1 3 202.367 1.281 10 0 BDAEHO C[NH2+]C[C@H](C)N1CCN(C2CCCC2)CC1 ZINC000052573445 173376168 /nfs/dbraw/zinc/37/61/68/173376168.db2.gz RWKWEMIDKFOEOU-LBPRGKRZSA-N 1 3 225.380 1.155 10 0 BDAEHO C[NH2+]C[C@H]1CCCN(C2CCOCC2)C1 ZINC000040593343 173379303 /nfs/dbraw/zinc/37/93/03/173379303.db2.gz ITKOVHUSIJWGHZ-LLVKDONJSA-N 1 3 212.337 1.097 10 0 BDAEHO CNC[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000040593343 173379304 /nfs/dbraw/zinc/37/93/04/173379304.db2.gz ITKOVHUSIJWGHZ-LLVKDONJSA-N 1 3 212.337 1.097 10 0 BDAEHO CNC[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000040593343 173379306 /nfs/dbraw/zinc/37/93/06/173379306.db2.gz ITKOVHUSIJWGHZ-LLVKDONJSA-N 1 3 212.337 1.097 10 0 BDAEHO C[NH2+]C[C@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC000095075956 173381255 /nfs/dbraw/zinc/38/12/55/173381255.db2.gz XXYORQBLIVDNEL-KGLIPLIRSA-N 1 3 234.343 1.089 10 0 BDAEHO CNC[C@]1(C[N@H+](C)C2CCCCC2)CCOC1 ZINC000051213207 173384081 /nfs/dbraw/zinc/38/40/81/173384081.db2.gz UNUSWYBGSQDWEW-AWEZNQCLSA-N 1 3 240.391 1.877 10 0 BDAEHO CNC[C@]1(C[N@@H+](C)C2CCCCC2)CCOC1 ZINC000051213207 173384082 /nfs/dbraw/zinc/38/40/82/173384082.db2.gz UNUSWYBGSQDWEW-AWEZNQCLSA-N 1 3 240.391 1.877 10 0 BDAEHO C[NH2+]C[C@]1(CN(C)C2CCCCC2)CCOC1 ZINC000051213207 173384084 /nfs/dbraw/zinc/38/40/84/173384084.db2.gz UNUSWYBGSQDWEW-AWEZNQCLSA-N 1 3 240.391 1.877 10 0 BDAEHO COC1CC[NH+](C[C@](C)(N)C2CC2)CC1 ZINC000037479233 174028026 /nfs/dbraw/zinc/02/80/26/174028026.db2.gz WLQZTSPLIZPZAX-LBPRGKRZSA-N 1 3 212.337 1.225 10 0 BDAEHO COC1CC[NH+](C[C@@](C)(N)C2CC2)CC1 ZINC000037479232 174028181 /nfs/dbraw/zinc/02/81/81/174028181.db2.gz WLQZTSPLIZPZAX-GFCCVEGCSA-N 1 3 212.337 1.225 10 0 BDAEHO COCCC[N@H+]1C[C@H](C)CNC[C@H](C)C1 ZINC000049665814 174235528 /nfs/dbraw/zinc/23/55/28/174235528.db2.gz PZSVFGWNMVFQHL-TXEJJXNPSA-N 1 3 214.353 1.200 10 0 BDAEHO COCCC[N@@H+]1C[C@H](C)CNC[C@H](C)C1 ZINC000049665814 174235531 /nfs/dbraw/zinc/23/55/31/174235531.db2.gz PZSVFGWNMVFQHL-TXEJJXNPSA-N 1 3 214.353 1.200 10 0 BDAEHO COCCCN1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665814 174235532 /nfs/dbraw/zinc/23/55/32/174235532.db2.gz PZSVFGWNMVFQHL-TXEJJXNPSA-N 1 3 214.353 1.200 10 0 BDAEHO C[C@@H]1CCCC[N@@H+]1CCCNCCN(C)C ZINC000020047844 176072162 /nfs/dbraw/zinc/07/21/62/176072162.db2.gz WFZLNRHTTHZHNK-CYBMUJFWSA-N 1 3 227.396 1.402 10 0 BDAEHO C[C@@H]1CCCC[N@H+]1CCCNCCN(C)C ZINC000020047844 176072164 /nfs/dbraw/zinc/07/21/64/176072164.db2.gz WFZLNRHTTHZHNK-CYBMUJFWSA-N 1 3 227.396 1.402 10 0 BDAEHO C[C@@H]1CC[C@H](CN)[C@H]([N@@H+]2CCCN(C)CC2)C1 ZINC000037158687 176223720 /nfs/dbraw/zinc/22/37/20/176223720.db2.gz AAJVSSPNCRHFNT-MGPQQGTHSA-N 1 3 239.407 1.387 10 0 BDAEHO C[C@@H]1CC[C@H](CN)[C@H]([N@H+]2CCCN(C)CC2)C1 ZINC000037158687 176223721 /nfs/dbraw/zinc/22/37/21/176223721.db2.gz AAJVSSPNCRHFNT-MGPQQGTHSA-N 1 3 239.407 1.387 10 0 BDAEHO C[C@@H]1CN(CC[NH2+]Cc2ccccc2)CCN1C ZINC000104135053 176291006 /nfs/dbraw/zinc/29/10/06/176291006.db2.gz KPDFZVYPHNXPJF-CQSZACIVSA-N 1 3 247.386 1.412 10 0 BDAEHO C[C@@H]1CN(CC[NH2+]CC2CCCC2)CCN1C ZINC000104135063 176291695 /nfs/dbraw/zinc/29/16/95/176291695.db2.gz MPNKSGXRHQOMAK-CYBMUJFWSA-N 1 3 239.407 1.402 10 0 BDAEHO C[C@@H]1CNCCC[N@@H+](C2CCOCC2)C1 ZINC000049666381 176324169 /nfs/dbraw/zinc/32/41/69/176324169.db2.gz LOLIJQXZFZVTTO-LLVKDONJSA-N 1 3 212.337 1.097 10 0 BDAEHO C[C@@H]1CNCCC[N@H+](C2CCOCC2)C1 ZINC000049666381 176324171 /nfs/dbraw/zinc/32/41/71/176324171.db2.gz LOLIJQXZFZVTTO-LLVKDONJSA-N 1 3 212.337 1.097 10 0 BDAEHO C[C@H]1CCCCN1CCC[NH2+]C[C@@H]1CCOC1 ZINC000019913143 177075859 /nfs/dbraw/zinc/07/58/59/177075859.db2.gz UUUYAXISSLOIIL-KBPBESRZSA-N 1 3 240.391 1.877 10 0 BDAEHO C[C@@H]1CN(CC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000037482374 177244866 /nfs/dbraw/zinc/24/48/66/177244866.db2.gz KWHMOFFJKRSZIK-MPEURRAXSA-N 1 3 226.364 1.613 10 0 BDAEHO C[C@H]1CN(CC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000037482375 177245093 /nfs/dbraw/zinc/24/50/93/177245093.db2.gz KWHMOFFJKRSZIK-ZSVAQUKISA-N 1 3 226.364 1.613 10 0 BDAEHO C[C@H]1CN(CCN(C)C)c2ccccc2C[NH2+]1 ZINC000062616665 177251754 /nfs/dbraw/zinc/25/17/54/177251754.db2.gz SYYWBYYOUSWTCY-LBPRGKRZSA-N 1 3 233.359 1.546 10 0 BDAEHO C[C@@H]1C[NH2+][C@@H](C)CN1CCN1CCCCC1 ZINC000062611953 177251808 /nfs/dbraw/zinc/25/18/08/177251808.db2.gz WNPCFADLLSTMQP-QWHCGFSZSA-N 1 3 225.380 1.155 10 0 BDAEHO C[C@@H]1C[C@@H](CN2CCOC[C@@H]2C)CC[NH2+]1 ZINC000235381782 177293065 /nfs/dbraw/zinc/29/30/65/177293065.db2.gz KMWGHAQLRWSNJM-WOPDTQHZSA-N 1 3 212.337 1.095 10 0 BDAEHO C[C@H](N[C@@H]1CS[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000306833290 229397892 /nfs/dbraw/zinc/39/78/92/229397892.db2.gz NQJCXKUWNUSONK-RCWTZXSCSA-N 1 3 214.378 1.468 10 0 BDAEHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[C@H]3O)CC[C@@H]21 ZINC000226289358 487709049 /nfs/dbraw/zinc/70/90/49/487709049.db2.gz SUSDEALAKFKBDK-XJFOESAGSA-N 1 3 238.375 1.316 10 0 BDAEHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CCC[C@H]3O)CC[C@@H]21 ZINC000226289358 487709054 /nfs/dbraw/zinc/70/90/54/487709054.db2.gz SUSDEALAKFKBDK-XJFOESAGSA-N 1 3 238.375 1.316 10 0 BDAEHO CC[C@H](CCO)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000571908578 323495499 /nfs/dbraw/zinc/49/54/99/323495499.db2.gz CMBBDFJLRVEZIL-IJLUTSLNSA-N 1 3 214.353 1.125 10 0 BDAEHO CSCCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000572510442 324136821 /nfs/dbraw/zinc/13/68/21/324136821.db2.gz JGRMGCGWTGQYJO-MNOVXSKESA-N 1 3 216.394 1.717 10 0 BDAEHO CSCCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000572510441 324136973 /nfs/dbraw/zinc/13/69/73/324136973.db2.gz JGRMGCGWTGQYJO-GHMZBOCLSA-N 1 3 216.394 1.717 10 0 BDAEHO C[C@@H](NCCc1ccc(O)cc1)[C@@H]1CC[NH2+]C1 ZINC000400779542 324168337 /nfs/dbraw/zinc/16/83/37/324168337.db2.gz PBLASQLRQKKGMC-DGCLKSJQSA-N 1 3 234.343 1.522 10 0 BDAEHO COC[C@H](C)NCC[C@H]1CCCC[N@@H+]1C ZINC000049799935 488027301 /nfs/dbraw/zinc/02/73/01/488027301.db2.gz JBUFIYIOIDQKNW-NWDGAFQWSA-N 1 3 214.353 1.485 10 0 BDAEHO COC[C@H](C)NCC[C@H]1CCCC[N@H+]1C ZINC000049799935 488027306 /nfs/dbraw/zinc/02/73/06/488027306.db2.gz JBUFIYIOIDQKNW-NWDGAFQWSA-N 1 3 214.353 1.485 10 0 BDAEHO C[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H]1CC[NH2+]C1 ZINC000094440752 487533868 /nfs/dbraw/zinc/53/38/68/487533868.db2.gz DEMDAZZJOXXXPM-MGPQQGTHSA-N 1 3 237.391 1.155 10 0 BDAEHO Cc1cccc(CCN[C@@H](C)[C@@H]2CC[NH2+]C2)n1 ZINC000415108326 488083974 /nfs/dbraw/zinc/08/39/74/488083974.db2.gz PWQZQVGFHDRREY-QWHCGFSZSA-N 1 3 233.359 1.520 10 0 BDAEHO CC(C)[C@H](C)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000390221771 488142009 /nfs/dbraw/zinc/14/20/09/488142009.db2.gz ZHDAYYKRSUGSBT-STQMWFEESA-N 1 3 225.380 1.010 10 0 BDAEHO COCC[C@H](C)N1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757125587 582500608 /nfs/dbraw/zinc/50/06/08/582500608.db2.gz FCECGHDMALYVJJ-RDBSUJKOSA-N 1 3 240.391 1.875 10 0 BDAEHO COCC[C@H](C)[N@@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757125587 582500609 /nfs/dbraw/zinc/50/06/09/582500609.db2.gz FCECGHDMALYVJJ-RDBSUJKOSA-N 1 3 240.391 1.875 10 0 BDAEHO COCC[C@H](C)[N@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757125587 582500610 /nfs/dbraw/zinc/50/06/10/582500610.db2.gz FCECGHDMALYVJJ-RDBSUJKOSA-N 1 3 240.391 1.875 10 0 BDAEHO CCC[C@H]1CCO[C@@]2(CCCN(C)CC2)[NH2+]1 ZINC000757147736 582531414 /nfs/dbraw/zinc/53/14/14/582531414.db2.gz SQPNYSHFLRQLME-QWHCGFSZSA-N 1 3 226.364 1.977 10 0 BDAEHO C[N@@H+]1CCC[C@]2(CC1)N[C@H](C1CC1)CCO2 ZINC000757148941 582533141 /nfs/dbraw/zinc/53/31/41/582533141.db2.gz VXGAIEHOKOACTK-STQMWFEESA-N 1 3 224.348 1.587 10 0 BDAEHO C[N@H+]1CCC[C@]2(CC1)N[C@H](C1CC1)CCO2 ZINC000757148941 582533143 /nfs/dbraw/zinc/53/31/43/582533143.db2.gz VXGAIEHOKOACTK-STQMWFEESA-N 1 3 224.348 1.587 10 0 BDAEHO CN1CCC[C@]2(CC1)[NH2+][C@H](C1CC1)CCO2 ZINC000757148941 582533146 /nfs/dbraw/zinc/53/31/46/582533146.db2.gz VXGAIEHOKOACTK-STQMWFEESA-N 1 3 224.348 1.587 10 0 BDAEHO C[C@H](NCCc1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000400527154 533871449 /nfs/dbraw/zinc/87/14/49/533871449.db2.gz QLXFIUWIJYFEHI-AAEUAGOBSA-N 1 3 236.334 1.956 10 0 BDAEHO C[C@H](NCCc1cccs1)[C@@H]1CC[NH2+]C1 ZINC000400436804 533875656 /nfs/dbraw/zinc/87/56/56/533875656.db2.gz MWRFOCJQVYKQDS-WDEREUQCSA-N 1 3 224.373 1.878 10 0 BDAEHO C[C@H](NC[C@@H]1CCCS1)[C@@H]1CC[NH2+]C1 ZINC000400572021 533882149 /nfs/dbraw/zinc/88/21/49/533882149.db2.gz NYEYRNNRSLKPRV-AXFHLTTASA-N 1 3 214.378 1.470 10 0 BDAEHO CC[C@H](COC)[NH2+][C@H]1CCC[C@@H]1CN ZINC000084222382 517815628 /nfs/dbraw/zinc/81/56/28/517815628.db2.gz AFORADNUJQKUDK-MXWKQRLJSA-N 1 3 200.326 1.128 10 0 BDAEHO COC[C@@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261527669 536525592 /nfs/dbraw/zinc/52/55/92/536525592.db2.gz FPYSCQJXVUOPEQ-NXEZZACHSA-N 1 3 200.326 1.081 10 0 BDAEHO COC[C@@H](C)[N@@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000261527669 536525599 /nfs/dbraw/zinc/52/55/99/536525599.db2.gz FPYSCQJXVUOPEQ-NXEZZACHSA-N 1 3 200.326 1.081 10 0 BDAEHO COC[C@@H](C)[N@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000261527669 536525603 /nfs/dbraw/zinc/52/56/03/536525603.db2.gz FPYSCQJXVUOPEQ-NXEZZACHSA-N 1 3 200.326 1.081 10 0 BDAEHO CCOCC(C)(C)CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400769753 528568889 /nfs/dbraw/zinc/56/88/89/528568889.db2.gz ZVNWEWPGOCYCNS-NEPJUHHUSA-N 1 3 228.380 1.637 10 0 BDAEHO CCOC[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400732495 528995351 /nfs/dbraw/zinc/99/53/51/528995351.db2.gz QYNFDZUMEHJDPP-AGIUHOORSA-N 1 3 228.380 1.635 10 0 BDAEHO CCN1CCC[C@H](N[C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400430827 529092553 /nfs/dbraw/zinc/09/25/53/529092553.db2.gz BPZNZRNUOZRXKZ-UPJWGTAASA-N 1 3 225.380 1.058 10 0 BDAEHO CC[C@H](C[NH2+][C@H]1CCNC1)CC(F)(F)F ZINC000402698968 529371139 /nfs/dbraw/zinc/37/11/39/529371139.db2.gz RHRPICVSZIGAFQ-IUCAKERBSA-N 1 3 224.270 1.917 10 0 BDAEHO C[NH+](C)CCCN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000252709016 535834019 /nfs/dbraw/zinc/83/40/19/535834019.db2.gz BTVRQRSFKSJMEO-UONOGXRCSA-N 1 3 240.391 1.565 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@@]12CN(C(C)(C)C)CC[C@@H]2O ZINC000725245819 538002926 /nfs/dbraw/zinc/00/29/26/538002926.db2.gz MCCRZRVWRPRLMM-NTZNESFSSA-N 1 3 226.364 1.077 10 0 BDAEHO COC[C@H](C)[N@@H+]1CCCC12CCNCC2 ZINC000757125554 582500879 /nfs/dbraw/zinc/50/08/79/582500879.db2.gz DZJACDSPBHPFAK-NSHDSACASA-N 1 3 212.337 1.239 10 0 BDAEHO COC[C@H](C)[N@H+]1CCCC12CCNCC2 ZINC000757125554 582500880 /nfs/dbraw/zinc/50/08/80/582500880.db2.gz DZJACDSPBHPFAK-NSHDSACASA-N 1 3 212.337 1.239 10 0 BDAEHO CC1(C)CCC2(CC1)[NH2+]CCC1(CNC1)O2 ZINC000757143481 582523418 /nfs/dbraw/zinc/52/34/18/582523418.db2.gz CXMBHMXQUDVIHJ-UHFFFAOYSA-N 1 3 224.348 1.635 10 0 BDAEHO C[C@@H]1CCC[C@@]2(C1)[NH2+]CCC1(CNC1)O2 ZINC000757145828 582528699 /nfs/dbraw/zinc/52/86/99/582528699.db2.gz ITJSANHGQJKLOV-ZYHUDNBSSA-N 1 3 210.321 1.245 10 0 BDAEHO COC[C@@H](C)C[N@@H+]1CCCC12CCNCC2 ZINC000757126405 586426134 /nfs/dbraw/zinc/42/61/34/586426134.db2.gz FNXXCOPAKCPTEF-LBPRGKRZSA-N 1 3 226.364 1.487 10 0 BDAEHO COC[C@@H](C)C[N@H+]1CCCC12CCNCC2 ZINC000757126405 586426135 /nfs/dbraw/zinc/42/61/35/586426135.db2.gz FNXXCOPAKCPTEF-LBPRGKRZSA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2cccc(N)c2)N1 ZINC000757220113 586442331 /nfs/dbraw/zinc/44/23/31/586442331.db2.gz ZYHQSEAMNPEFBZ-SUZMYJTESA-N 1 3 219.332 1.657 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1CCN[C@H](C[NH3+])C1 ZINC000757239504 586444298 /nfs/dbraw/zinc/44/42/98/586444298.db2.gz UKMJQEHCVUGBCN-PWSUYJOCSA-N 1 3 219.332 1.372 10 0 BDAEHO [NH3+][C@@H]1CC[C@H]2CN(C[C@@H](O)c3ccccc3)C[C@@H]12 ZINC000313607625 634498595 /nfs/dbraw/zinc/49/85/95/634498595.db2.gz HAYKUDNVFPCCQY-GBJTYRQASA-N 1 3 246.354 1.389 10 0 BDAEHO C[C@H]1C[N@H+](CCc2cccs2)C[C@@H]1N ZINC000235649973 632808042 /nfs/dbraw/zinc/80/80/42/632808042.db2.gz YJAKJTKXJJIJDR-ONGXEEELSA-N 1 3 210.346 1.570 10 0 BDAEHO C[C@H]1C[N@@H+](CCc2cccs2)C[C@@H]1N ZINC000235649973 632808043 /nfs/dbraw/zinc/80/80/43/632808043.db2.gz YJAKJTKXJJIJDR-ONGXEEELSA-N 1 3 210.346 1.570 10 0 BDAEHO C[C@@H]1[NH2+][C@@H](c2cccc(N)c2)CC[C@@H]1N ZINC000757211072 643371298 /nfs/dbraw/zinc/37/12/98/643371298.db2.gz FTRVCMCNEZFCAU-KPXOXKRLSA-N 1 3 205.305 1.409 10 0 BDAEHO CC[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000251917078 644830818 /nfs/dbraw/zinc/83/08/18/644830818.db2.gz YEBJTXUOXGBRBZ-UTUOFQBUSA-N 1 3 212.337 1.225 10 0 BDAEHO C(C[C@@H]1CCCS1)[NH2+]C1CCNCC1 ZINC000715751678 712531738 /nfs/dbraw/zinc/53/17/38/712531738.db2.gz UDNGLYICNISCSA-NSHDSACASA-N 1 3 214.378 1.614 10 0 BDAEHO C[C@H](NC[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1CC[NH2+]C1 ZINC000722323085 711737066 /nfs/dbraw/zinc/73/70/66/711737066.db2.gz WHCKWZVLGSLQHK-AHLTXXRQSA-N 1 3 238.375 1.532 10 0 BDAEHO CO[C@@H]1C[C@@H](NC2CC([NH+](C)C)C2)C12CCC2 ZINC000701483224 712024502 /nfs/dbraw/zinc/02/45/02/712024502.db2.gz OSKOLFBQUSDPAV-FIYWTHMPSA-N 1 3 238.375 1.626 10 0 BDAEHO C([C@H]1CCCO1)[N@@H+]1CCNCCC12CCC2 ZINC000713174517 712453611 /nfs/dbraw/zinc/45/36/11/712453611.db2.gz KJJRCDUGYQZZIK-GFCCVEGCSA-N 1 3 224.348 1.383 10 0 BDAEHO C([C@H]1CCCO1)[N@H+]1CCNCCC12CCC2 ZINC000713174517 712453612 /nfs/dbraw/zinc/45/36/12/712453612.db2.gz KJJRCDUGYQZZIK-GFCCVEGCSA-N 1 3 224.348 1.383 10 0 BDAEHO C([C@@H]1CCCO1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000715014252 712504280 /nfs/dbraw/zinc/50/42/80/712504280.db2.gz UOHZXENCGOEMBW-AVGNSLFASA-N 1 3 224.348 1.239 10 0 BDAEHO C[N@@H+]1CC[C@H](N)C12CCC(F)(F)CC2 ZINC000685953386 538897787 /nfs/dbraw/zinc/89/77/87/538897787.db2.gz GUEXBXDNWSWCNP-QMMMGPOBSA-N 1 3 204.264 1.597 10 0 BDAEHO C[N@H+]1CC[C@H](N)C12CCC(F)(F)CC2 ZINC000685953386 538897788 /nfs/dbraw/zinc/89/77/88/538897788.db2.gz GUEXBXDNWSWCNP-QMMMGPOBSA-N 1 3 204.264 1.597 10 0 BDAEHO N[C@@H]1CCC[C@@]2(c3ccccc3)C[NH2+]C[C@H]12 ZINC000685958392 538906063 /nfs/dbraw/zinc/90/60/63/538906063.db2.gz NTNVBKLXXXJSTC-MCIONIFRSA-N 1 3 216.328 1.655 10 0 BDAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1[C@H]1CCSC1 ZINC000252126587 398185562 /nfs/dbraw/zinc/18/55/62/398185562.db2.gz LMKTYNGITJBRKS-BBBLOLIVSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@H](CN)C[N@H+]1[C@H]1CCSC1 ZINC000252126587 398185564 /nfs/dbraw/zinc/18/55/64/398185564.db2.gz LMKTYNGITJBRKS-BBBLOLIVSA-N 1 3 200.351 1.161 10 0 BDAEHO CCC(CC)[NH2+]CCN1CCC[C@@H]1CN(C)C ZINC000061655173 168388678 /nfs/dbraw/zinc/38/86/78/168388678.db2.gz VRVWISPJWXMRMU-CQSZACIVSA-N 1 3 241.423 1.791 10 0 BDAEHO N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000212726850 539027926 /nfs/dbraw/zinc/02/79/26/539027926.db2.gz DVYMZSUMQKZFGP-PWSUYJOCSA-N 1 3 204.273 1.201 10 0 BDAEHO CC[C@H](CSC)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400560186 529415648 /nfs/dbraw/zinc/41/56/48/529415648.db2.gz LCHOTQOPZJQUMP-OUAUKWLOSA-N 1 3 216.394 1.716 10 0 BDAEHO CC[C@H](CSC)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400560184 529415658 /nfs/dbraw/zinc/41/56/58/529415658.db2.gz LCHOTQOPZJQUMP-HBNTYKKESA-N 1 3 216.394 1.716 10 0 BDAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1[C@@H]1CCSC1 ZINC000126703345 344028742 /nfs/dbraw/zinc/02/87/42/344028742.db2.gz LMKTYNGITJBRKS-KXUCPTDWSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1[C@@H]1CCSC1 ZINC000126703345 344028744 /nfs/dbraw/zinc/02/87/44/344028744.db2.gz LMKTYNGITJBRKS-KXUCPTDWSA-N 1 3 200.351 1.161 10 0 BDAEHO FC1(F)CC[C@H]2C[N@@H+](C3CCNCC3)C[C@H]21 ZINC000409427498 343801210 /nfs/dbraw/zinc/80/12/10/343801210.db2.gz KOJWKIWZRZVBIB-GXSJLCMTSA-N 1 3 230.302 1.716 10 0 BDAEHO FC1(F)CC[C@H]2C[N@H+](C3CCNCC3)C[C@H]21 ZINC000409427498 343801212 /nfs/dbraw/zinc/80/12/12/343801212.db2.gz KOJWKIWZRZVBIB-GXSJLCMTSA-N 1 3 230.302 1.716 10 0 BDAEHO CC(F)(F)[C@H]1CCCN(CCC[NH3+])C1 ZINC000409425728 343820463 /nfs/dbraw/zinc/82/04/63/343820463.db2.gz GPYJJQFXEORTOW-VIFPVBQESA-N 1 3 206.280 1.702 10 0 BDAEHO CC(C)C[C@@H]1CN(CCC[NH3+])CC[C@H]1O ZINC000409435542 343833755 /nfs/dbraw/zinc/83/37/55/343833755.db2.gz VIWHNHDQQDTRCI-VXGBXAGGSA-N 1 3 214.353 1.064 10 0 BDAEHO NCCC[N@@H+]1C[C@@H](CO)C2(C1)CCCCC2 ZINC000409436090 343837217 /nfs/dbraw/zinc/83/72/17/343837217.db2.gz YAYSYUVRZQMFCM-LBPRGKRZSA-N 1 3 226.364 1.210 10 0 BDAEHO NCCC[N@H+]1C[C@@H](CO)C2(C1)CCCCC2 ZINC000409436090 343837219 /nfs/dbraw/zinc/83/72/19/343837219.db2.gz YAYSYUVRZQMFCM-LBPRGKRZSA-N 1 3 226.364 1.210 10 0 BDAEHO C1CC[C@@H]2[C@@H](C1)COCC[N@@H+]2C1CCNCC1 ZINC000409435861 343840232 /nfs/dbraw/zinc/84/02/32/343840232.db2.gz WZNDWOSRBJCHED-GXTWGEPZSA-N 1 3 238.375 1.629 10 0 BDAEHO C1CC[C@@H]2[C@@H](C1)COCC[N@H+]2C1CCNCC1 ZINC000409435861 343840235 /nfs/dbraw/zinc/84/02/35/343840235.db2.gz WZNDWOSRBJCHED-GXTWGEPZSA-N 1 3 238.375 1.629 10 0 BDAEHO C1CC[C@@H]2[C@@H](C1)COCCN2C1CC[NH2+]CC1 ZINC000409435861 343840237 /nfs/dbraw/zinc/84/02/37/343840237.db2.gz WZNDWOSRBJCHED-GXTWGEPZSA-N 1 3 238.375 1.629 10 0 BDAEHO CNC[C@@H]1CC[N@@H+](C2CCSCC2)C1 ZINC000070798746 343955858 /nfs/dbraw/zinc/95/58/58/343955858.db2.gz PJJRKOUAINJPLD-JTQLQIEISA-N 1 3 214.378 1.423 10 0 BDAEHO CNC[C@@H]1CC[N@H+](C2CCSCC2)C1 ZINC000070798746 343955859 /nfs/dbraw/zinc/95/58/59/343955859.db2.gz PJJRKOUAINJPLD-JTQLQIEISA-N 1 3 214.378 1.423 10 0 BDAEHO C[NH2+]C[C@@H]1CCN(C2CCSCC2)C1 ZINC000070798746 343955860 /nfs/dbraw/zinc/95/58/60/343955860.db2.gz PJJRKOUAINJPLD-JTQLQIEISA-N 1 3 214.378 1.423 10 0 BDAEHO N[C@@H]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC000220689377 344567340 /nfs/dbraw/zinc/56/73/40/344567340.db2.gz LCEKUMGOIZRVDC-SCZZXKLOSA-N 1 3 200.351 1.351 10 0 BDAEHO C[C@@H]1SCC[C@H]1N1CCC([NH3+])CC1 ZINC000235367326 344894638 /nfs/dbraw/zinc/89/46/38/344894638.db2.gz JJOWZEARAYCREZ-WCBMZHEXSA-N 1 3 200.351 1.304 10 0 BDAEHO C[NH+](C)C[C@@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC000248124988 345048085 /nfs/dbraw/zinc/04/80/85/345048085.db2.gz OHDTZRJUOWDDLP-LSDHHAIUSA-N 1 3 248.370 1.431 10 0 BDAEHO CCC[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000635004588 345208544 /nfs/dbraw/zinc/20/85/44/345208544.db2.gz PQYCPOACFDTEDR-YNEHKIRRSA-N 1 3 228.380 1.515 10 0 BDAEHO CC(F)(F)CCN[C@@H]1CCC[NH2+]CC1 ZINC000214740074 345741793 /nfs/dbraw/zinc/74/17/93/345741793.db2.gz DILYTLSVBYLUKO-SECBINFHSA-N 1 3 206.280 1.763 10 0 BDAEHO CCC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000582073873 347175767 /nfs/dbraw/zinc/17/57/67/347175767.db2.gz SOWIOTJXZVIJHV-XQQFMLRXSA-N 1 3 228.380 1.515 10 0 BDAEHO CCC[C@](C)(O)CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000582073873 347175769 /nfs/dbraw/zinc/17/57/69/347175769.db2.gz SOWIOTJXZVIJHV-XQQFMLRXSA-N 1 3 228.380 1.515 10 0 BDAEHO CCSCC[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000601327651 347214653 /nfs/dbraw/zinc/21/46/53/347214653.db2.gz YEDCWDNMBRIGAL-VHSXEESVSA-N 1 3 202.367 1.266 10 0 BDAEHO CCSCC[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000601327651 347214655 /nfs/dbraw/zinc/21/46/55/347214655.db2.gz YEDCWDNMBRIGAL-VHSXEESVSA-N 1 3 202.367 1.266 10 0 BDAEHO CCSCCN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601327651 347214658 /nfs/dbraw/zinc/21/46/58/347214658.db2.gz YEDCWDNMBRIGAL-VHSXEESVSA-N 1 3 202.367 1.266 10 0 BDAEHO C[N@@H+]1C[C@@H](c2ccc(F)cc2)[C@@H]2CNCC[C@@H]21 ZINC000616575138 349087780 /nfs/dbraw/zinc/08/77/80/349087780.db2.gz GWOCKHDKGGFLDX-IHRRRGAJSA-N 1 3 234.318 1.833 10 0 BDAEHO C[N@H+]1C[C@@H](c2ccc(F)cc2)[C@@H]2CNCC[C@@H]21 ZINC000616575138 349087783 /nfs/dbraw/zinc/08/77/83/349087783.db2.gz GWOCKHDKGGFLDX-IHRRRGAJSA-N 1 3 234.318 1.833 10 0 BDAEHO Cc1nccn1CCN1CCCC[C@@H]1CC[NH3+] ZINC000070975622 180253158 /nfs/dbraw/zinc/25/31/58/180253158.db2.gz KFIJYSYAKROCHY-CYBMUJFWSA-N 1 3 236.363 1.395 10 0 BDAEHO C[C@H](CC(N)=[NH2+])N1CCSC[C@H]1C ZINC000251893416 362978472 /nfs/dbraw/zinc/97/84/72/362978472.db2.gz VTTVNSLTHKCKHS-HTQZYQBOSA-N 1 3 201.339 1.138 10 0 BDAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(N)=[NH2+] ZINC000306787457 351036959 /nfs/dbraw/zinc/03/69/59/351036959.db2.gz QNNZTSIULQLLKQ-GFCCVEGCSA-N 1 3 246.358 1.476 10 0 BDAEHO [NH3+]CC[C@H]1COCCN(Cc2ccccc2)C1 ZINC000616662796 351219290 /nfs/dbraw/zinc/21/92/90/351219290.db2.gz MCNPWGKCZQRBDY-CQSZACIVSA-N 1 3 234.343 1.484 10 0 BDAEHO CSC1CC[NH+]([C@H](C)[C@@H](C)N)CC1 ZINC000307148467 351502327 /nfs/dbraw/zinc/50/23/27/351502327.db2.gz QDEQABDWHKRZPL-RKDXNWHRSA-N 1 3 202.367 1.550 10 0 BDAEHO CC1(C)SC[C@@H]1N1CC[C@@H](C[NH3+])C1 ZINC000307168860 351542695 /nfs/dbraw/zinc/54/26/95/351542695.db2.gz WFLZNZDRCXMQCV-IUCAKERBSA-N 1 3 200.351 1.161 10 0 BDAEHO CC[C@@H]1C[N@@H+]([C@H](C)[C@@H](C)N)CCCO1 ZINC000300911717 363120667 /nfs/dbraw/zinc/12/06/67/363120667.db2.gz OYFZTHZLWJZPHB-GMTAPVOTSA-N 1 3 200.326 1.223 10 0 BDAEHO CC[C@@H]1C[N@H+]([C@H](C)[C@@H](C)N)CCCO1 ZINC000300911717 363120677 /nfs/dbraw/zinc/12/06/77/363120677.db2.gz OYFZTHZLWJZPHB-GMTAPVOTSA-N 1 3 200.326 1.223 10 0 BDAEHO CN1CCC(NC(=[NH2+])NCc2ccccc2)CC1 ZINC000307460141 352609532 /nfs/dbraw/zinc/60/95/32/352609532.db2.gz FEVKSVSNTDKBFN-UHFFFAOYSA-N 1 3 246.358 1.395 10 0 BDAEHO C[C@H]1CCN(C2CC([NH3+])C2)CCS1 ZINC000307498326 352626122 /nfs/dbraw/zinc/62/61/22/352626122.db2.gz KEQKDBVEALGPLZ-IDKOKCKLSA-N 1 3 200.351 1.304 10 0 BDAEHO N[C@@H]1CCC[N@H+](C[C@H]2CCCSC2)C1 ZINC000307703570 353046611 /nfs/dbraw/zinc/04/66/11/353046611.db2.gz VTVFSKMXNOBQQC-GHMZBOCLSA-N 1 3 214.378 1.553 10 0 BDAEHO N[C@@H]1CCC[N@@H+](C[C@H]2CCCSC2)C1 ZINC000307703570 353046615 /nfs/dbraw/zinc/04/66/15/353046615.db2.gz VTVFSKMXNOBQQC-GHMZBOCLSA-N 1 3 214.378 1.553 10 0 BDAEHO CC(C)[C@H](N)C[N@H+](C)[C@@H]1CCSC1 ZINC000037175239 188279261 /nfs/dbraw/zinc/27/92/61/188279261.db2.gz RBRUEMPYYLIPHX-NXEZZACHSA-N 1 3 202.367 1.407 10 0 BDAEHO CC(C)[C@H](N)C[N@@H+](C)[C@@H]1CCSC1 ZINC000037175239 188279263 /nfs/dbraw/zinc/27/92/63/188279263.db2.gz RBRUEMPYYLIPHX-NXEZZACHSA-N 1 3 202.367 1.407 10 0 BDAEHO CC(C)C[C@H]([NH3+])CN(CCN(C)C)CC(C)C ZINC000042781903 188294743 /nfs/dbraw/zinc/29/47/43/188294743.db2.gz AFDVQOQRFUGTAT-AWEZNQCLSA-N 1 3 243.439 1.879 10 0 BDAEHO CNCc1ccc(CN2CC[C@H]([NH+](C)C)C2)o1 ZINC000062971605 188304050 /nfs/dbraw/zinc/30/40/50/188304050.db2.gz RGQKFUIWWZIAOL-NSHDSACASA-N 1 3 237.347 1.135 10 0 BDAEHO CC(C)[C@@H]1C[N@@H+](C2CCN(C)CC2)[C@H](C)CN1 ZINC000083367455 188316042 /nfs/dbraw/zinc/31/60/42/188316042.db2.gz POHCXUTWGSUPLM-OCCSQVGLSA-N 1 3 239.407 1.399 10 0 BDAEHO CC(C)[C@@H]1C[N@H+](C2CCN(C)CC2)[C@H](C)CN1 ZINC000083367455 188316044 /nfs/dbraw/zinc/31/60/44/188316044.db2.gz POHCXUTWGSUPLM-OCCSQVGLSA-N 1 3 239.407 1.399 10 0 BDAEHO C[C@@H]1C[C@H](N)C[N@@H+]([C@H]2CCSC2)C1 ZINC000252214121 363219681 /nfs/dbraw/zinc/21/96/81/363219681.db2.gz YUSCOBXIBFGZEY-UTLUCORTSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@H](N)C[N@H+]([C@H]2CCSC2)C1 ZINC000252214121 363219685 /nfs/dbraw/zinc/21/96/85/363219685.db2.gz YUSCOBXIBFGZEY-UTLUCORTSA-N 1 3 200.351 1.161 10 0 BDAEHO CC1(C)[C@H]([NH3+])C[C@@H]1N[C@H]1CCSC1 ZINC000405448349 353420059 /nfs/dbraw/zinc/42/00/59/353420059.db2.gz FYTAMQUTCDPNGN-YIZRAAEISA-N 1 3 200.351 1.207 10 0 BDAEHO CC1(C)[C@H]([NH3+])C[C@H]1N[C@H]1CCSC1 ZINC000405448338 353420125 /nfs/dbraw/zinc/42/01/25/353420125.db2.gz FYTAMQUTCDPNGN-DJLDLDEBSA-N 1 3 200.351 1.207 10 0 BDAEHO [NH3+][C@@H](CCN1CCCC1)c1ccncc1 ZINC000083986072 355213705 /nfs/dbraw/zinc/21/37/05/355213705.db2.gz PBPHEBOGIGCYBN-LBPRGKRZSA-N 1 3 205.305 1.567 10 0 BDAEHO C[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(N)C2)CS1 ZINC000405791926 355295604 /nfs/dbraw/zinc/29/56/04/355295604.db2.gz LIVXMBNHOHICAI-UTLUCORTSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1C[C@H]([N@H+]2CC[C@](C)(N)C2)CS1 ZINC000405791926 355295605 /nfs/dbraw/zinc/29/56/05/355295605.db2.gz LIVXMBNHOHICAI-UTLUCORTSA-N 1 3 200.351 1.304 10 0 BDAEHO [NH3+][C@H]1C=C(C[C@@H]2CCC(F)(F)C2)CNC1 ZINC000675076659 538511472 /nfs/dbraw/zinc/51/14/72/538511472.db2.gz FNOGBIFBDBWRQP-WPRPVWTQSA-N 1 3 216.275 1.669 10 0 BDAEHO [NH3+][C@@H]1C=C(CCc2ccccc2)CNC1 ZINC000675078179 538515292 /nfs/dbraw/zinc/51/52/92/538515292.db2.gz NABRMJPPRVYESH-CYBMUJFWSA-N 1 3 202.301 1.476 10 0 BDAEHO C[C@@H]1CN(CC2(C[NH3+])CC2)C[C@H](C)S1 ZINC000168788516 357233075 /nfs/dbraw/zinc/23/30/75/357233075.db2.gz MQJQRHOWBUQZFU-AOOOYVTPSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@@H]1C[N@@H+](CC2(CN)CC2)C[C@H](C)S1 ZINC000168788516 357233077 /nfs/dbraw/zinc/23/30/77/357233077.db2.gz MQJQRHOWBUQZFU-AOOOYVTPSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@@H]1C[N@H+](CC2(CN)CC2)C[C@H](C)S1 ZINC000168788516 357233083 /nfs/dbraw/zinc/23/30/83/357233083.db2.gz MQJQRHOWBUQZFU-AOOOYVTPSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@@H+]1CCCO[C@H](C)C1 ZINC000685951794 538895243 /nfs/dbraw/zinc/89/52/43/538895243.db2.gz YPAMEBWHTJDONY-XQHKEYJVSA-N 1 3 226.364 1.341 10 0 BDAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@H+]1CCCO[C@H](C)C1 ZINC000685951794 538895245 /nfs/dbraw/zinc/89/52/45/538895245.db2.gz YPAMEBWHTJDONY-XQHKEYJVSA-N 1 3 226.364 1.341 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1CCCO[C@H](C)C1 ZINC000685951794 538895247 /nfs/dbraw/zinc/89/52/47/538895247.db2.gz YPAMEBWHTJDONY-XQHKEYJVSA-N 1 3 226.364 1.341 10 0 BDAEHO C[C@](N)(C[NH3+])CCOCc1ccc(F)c(F)c1 ZINC000584614517 358279040 /nfs/dbraw/zinc/27/90/40/358279040.db2.gz ZAMJXWYIYAQMHQ-GFCCVEGCSA-N 1 3 244.285 1.548 10 0 BDAEHO C[C@@H]([C@H]1CC[NH2+]C1)N1CCSC[C@H]1C ZINC000306577057 360465198 /nfs/dbraw/zinc/46/51/98/360465198.db2.gz KYWWXDRXWAVKOQ-VWYCJHECSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000306611960 360852606 /nfs/dbraw/zinc/85/26/06/360852606.db2.gz HNBAKRAUBSVJDN-DCAQKATOSA-N 1 3 214.378 1.612 10 0 BDAEHO C[C@@H]1SCC[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000306611960 360852609 /nfs/dbraw/zinc/85/26/09/360852609.db2.gz HNBAKRAUBSVJDN-DCAQKATOSA-N 1 3 214.378 1.612 10 0 BDAEHO C[C@H]([NH2+]CCC[C@H]1CCOC1)[C@@H]1CCCNC1 ZINC000579342243 366761870 /nfs/dbraw/zinc/76/18/70/366761870.db2.gz ZDWBVOHAUYWEEP-MELADBBJSA-N 1 3 240.391 1.781 10 0 BDAEHO C1CC1[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)CO1 ZINC000629547773 361431989 /nfs/dbraw/zinc/43/19/89/361431989.db2.gz LUVDVKVEZLYUOD-AGIUHOORSA-N 1 3 224.348 1.286 10 0 BDAEHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCCn1ccnc1 ZINC000054601905 181345020 /nfs/dbraw/zinc/34/50/20/181345020.db2.gz AQTIBNXRNOCTTQ-AGUYFDCRSA-N 1 3 248.374 1.617 10 0 BDAEHO CCCCN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630354778 364077789 /nfs/dbraw/zinc/07/77/89/364077789.db2.gz AYCMXHCWESRCDL-GHMZBOCLSA-N 1 3 200.326 1.225 10 0 BDAEHO CO[C@@H]1CN(C[C@@H]2C[C@H]3C[C@H]3C2)[C@@](C)(C[NH3+])C1 ZINC000630366761 364086359 /nfs/dbraw/zinc/08/63/59/364086359.db2.gz LOZOKFSGMGGVHN-ZUWCUPBKSA-N 1 3 238.375 1.471 10 0 BDAEHO [NH3+]CCCOCCNc1ccnc2ccccc21 ZINC000630534504 364226881 /nfs/dbraw/zinc/22/68/81/364226881.db2.gz LVFTVRDITHNFBS-UHFFFAOYSA-N 1 3 245.326 1.434 10 0 BDAEHO CC[C@H]1CN(C[C@H]2C[C@H]([NH3+])C2)C[C@H](CC)O1 ZINC000675054319 541434048 /nfs/dbraw/zinc/43/40/48/541434048.db2.gz RYHWXEQAKKPQEB-CYDGBPFRSA-N 1 3 226.364 1.613 10 0 BDAEHO [NH3+]CCCN[C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671479 181384177 /nfs/dbraw/zinc/38/41/77/181384177.db2.gz UBTDEODYTFHFDG-OAHLLOKOSA-N 1 3 247.386 1.242 10 0 BDAEHO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@@H]1CCCNC1 ZINC000575372893 365302716 /nfs/dbraw/zinc/30/27/16/365302716.db2.gz CRTQLJLTMJINCY-RFQIPJPRSA-N 1 3 240.391 1.515 10 0 BDAEHO CS[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000575914813 365412126 /nfs/dbraw/zinc/41/21/26/365412126.db2.gz FUADHCPNZPHRPK-GMTAPVOTSA-N 1 3 216.394 1.716 10 0 BDAEHO CS[C@H](C)CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000575914813 365412131 /nfs/dbraw/zinc/41/21/31/365412131.db2.gz FUADHCPNZPHRPK-GMTAPVOTSA-N 1 3 216.394 1.716 10 0 BDAEHO CS[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000575914816 365412186 /nfs/dbraw/zinc/41/21/86/365412186.db2.gz FUADHCPNZPHRPK-VWYCJHECSA-N 1 3 216.394 1.716 10 0 BDAEHO CS[C@H](C)CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000575914816 365412191 /nfs/dbraw/zinc/41/21/91/365412191.db2.gz FUADHCPNZPHRPK-VWYCJHECSA-N 1 3 216.394 1.716 10 0 BDAEHO CCC(CC)(CO)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000579941820 367092123 /nfs/dbraw/zinc/09/21/23/367092123.db2.gz APVVYNWWFCUZOI-QWHCGFSZSA-N 1 3 242.407 1.763 10 0 BDAEHO CCC(CC)(CO)CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000579941820 367092129 /nfs/dbraw/zinc/09/21/29/367092129.db2.gz APVVYNWWFCUZOI-QWHCGFSZSA-N 1 3 242.407 1.763 10 0 BDAEHO CCC(CC)(CO)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000579941819 367092910 /nfs/dbraw/zinc/09/29/10/367092910.db2.gz APVVYNWWFCUZOI-OLZOCXBDSA-N 1 3 242.407 1.763 10 0 BDAEHO CCC(CC)(CO)CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000579941819 367092915 /nfs/dbraw/zinc/09/29/15/367092915.db2.gz APVVYNWWFCUZOI-OLZOCXBDSA-N 1 3 242.407 1.763 10 0 BDAEHO C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000581005728 367231295 /nfs/dbraw/zinc/23/12/95/367231295.db2.gz DWBFIUFFKWRDOI-AGIUHOORSA-N 1 3 239.407 1.447 10 0 BDAEHO C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000581005730 367231549 /nfs/dbraw/zinc/23/15/49/367231549.db2.gz DWBFIUFFKWRDOI-FRRDWIJNSA-N 1 3 239.407 1.447 10 0 BDAEHO N[C@@H]1CC[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC000252981169 368176240 /nfs/dbraw/zinc/17/62/40/368176240.db2.gz PYKJBTVBLRMNEU-BBBLOLIVSA-N 1 3 200.351 1.351 10 0 BDAEHO [NH3+][C@@H]1CC[C@@H](N[C@H]2CCCSC2)C1 ZINC000252981169 368176246 /nfs/dbraw/zinc/17/62/46/368176246.db2.gz PYKJBTVBLRMNEU-BBBLOLIVSA-N 1 3 200.351 1.351 10 0 BDAEHO [NH3+]C[C@@H]1CNC[C@H](COc2ccccc2)C1 ZINC000038458042 368326693 /nfs/dbraw/zinc/32/66/93/368326693.db2.gz RPHGNNWPPGODRX-VXGBXAGGSA-N 1 3 220.316 1.250 10 0 BDAEHO NC[C@@H]1C[NH2+]C[C@H](COc2ccccc2)C1 ZINC000038458042 368326696 /nfs/dbraw/zinc/32/66/96/368326696.db2.gz RPHGNNWPPGODRX-VXGBXAGGSA-N 1 3 220.316 1.250 10 0 BDAEHO C[C@@H]1CN(C[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000631837773 369102399 /nfs/dbraw/zinc/10/23/99/369102399.db2.gz WRMIZCRVWIEOLT-WOPDTQHZSA-N 1 3 212.337 1.082 10 0 BDAEHO C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1CN ZINC000631837773 369102401 /nfs/dbraw/zinc/10/24/01/369102401.db2.gz WRMIZCRVWIEOLT-WOPDTQHZSA-N 1 3 212.337 1.082 10 0 BDAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1CN ZINC000631837773 369102403 /nfs/dbraw/zinc/10/24/03/369102403.db2.gz WRMIZCRVWIEOLT-WOPDTQHZSA-N 1 3 212.337 1.082 10 0 BDAEHO C[C@H]1SCCN(CC(C)(C)C[NH3+])[C@H]1C ZINC000132517119 371847023 /nfs/dbraw/zinc/84/70/23/371847023.db2.gz IMUVDYHGCWHFGV-VHSXEESVSA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@H]1SCC[N@H+](CC(C)(C)CN)[C@H]1C ZINC000132517119 371847028 /nfs/dbraw/zinc/84/70/28/371847028.db2.gz IMUVDYHGCWHFGV-VHSXEESVSA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@H]1SCC[N@@H+](CC(C)(C)CN)[C@H]1C ZINC000132517119 371847037 /nfs/dbraw/zinc/84/70/37/371847037.db2.gz IMUVDYHGCWHFGV-VHSXEESVSA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](N)C2)CS1 ZINC000227511536 371878950 /nfs/dbraw/zinc/87/89/50/371878950.db2.gz BFMCSXHBTZBRTH-OPRDCNLKSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](N)C2)CS1 ZINC000227511536 371878956 /nfs/dbraw/zinc/87/89/56/371878956.db2.gz BFMCSXHBTZBRTH-OPRDCNLKSA-N 1 3 200.351 1.304 10 0 BDAEHO CC[C@@H]1C[N@@H+](C2CCNCC2)CCS1 ZINC000133027731 371974589 /nfs/dbraw/zinc/97/45/89/371974589.db2.gz IUNXZEBLQKOZBD-LLVKDONJSA-N 1 3 214.378 1.566 10 0 BDAEHO CC[C@@H]1C[N@H+](C2CCNCC2)CCS1 ZINC000133027731 371974596 /nfs/dbraw/zinc/97/45/96/371974596.db2.gz IUNXZEBLQKOZBD-LLVKDONJSA-N 1 3 214.378 1.566 10 0 BDAEHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(N)=[NH2+] ZINC000306876906 372075278 /nfs/dbraw/zinc/07/52/78/372075278.db2.gz CBMGVEHJPYJJIR-WCQYABFASA-N 1 3 246.358 1.380 10 0 BDAEHO Cc1cc(C)n(CCN2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631837067 372627507 /nfs/dbraw/zinc/62/75/07/372627507.db2.gz MJSHGBRMLQLKPE-GXFFZTMASA-N 1 3 236.363 1.027 10 0 BDAEHO CCCC[C@H](N)C(=O)N[C@H](C)C[NH+]1CCCC1 ZINC000049184912 169007055 /nfs/dbraw/zinc/00/70/55/169007055.db2.gz MSOSRSKPYUWVDB-NEPJUHHUSA-N 1 3 241.379 1.104 10 0 BDAEHO CCCN(CCO)CC1(C[NH2+]CC)CCCC1 ZINC000051252742 169164764 /nfs/dbraw/zinc/16/47/64/169164764.db2.gz FAIQUMPCEXPRTA-UHFFFAOYSA-N 1 3 242.407 1.861 10 0 BDAEHO CCCN1CCN([C@H]2CCCC[NH2+]C2)CC1 ZINC000054134886 169205459 /nfs/dbraw/zinc/20/54/59/169205459.db2.gz KZHAILSDAWEEOT-ZDUSSCGKSA-N 1 3 225.380 1.156 10 0 BDAEHO CCCN1CCN([C@H](C)CCC[NH3+])CC1 ZINC000052421941 169202921 /nfs/dbraw/zinc/20/29/21/169202921.db2.gz NBBBTYKFJCMATG-GFCCVEGCSA-N 1 3 213.369 1.141 10 0 BDAEHO CCCN1CCN([C@H](C[NH3+])c2cccnc2)CC1 ZINC000022169946 169203585 /nfs/dbraw/zinc/20/35/85/169203585.db2.gz JTPALBBBTYNCGW-CQSZACIVSA-N 1 3 248.374 1.109 10 0 BDAEHO CCC[NH2+]C[C@@H]1CC[C@@H](COCCN(C)C)O1 ZINC000052669854 169262671 /nfs/dbraw/zinc/26/26/71/169262671.db2.gz AJLSMPHHPIPJDX-STQMWFEESA-N 1 3 244.379 1.112 10 0 BDAEHO CCC[NH2+][C@H](C)CCN1CCN(C)C(C)(C)C1 ZINC000104127159 169285907 /nfs/dbraw/zinc/28/59/07/169285907.db2.gz JRTAFQGFZJGBGT-CYBMUJFWSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+]C[C@@]1(CN2CCC[C@@H]2C)CCOC1 ZINC000051205793 169263399 /nfs/dbraw/zinc/26/33/99/169263399.db2.gz FSLMOTZMVSCZMY-UONOGXRCSA-N 1 3 240.391 1.877 10 0 BDAEHO CCC[NH2+][C@@H](C)[C@H]1CCCN(CCN(C)C)C1 ZINC000104421692 169275935 /nfs/dbraw/zinc/27/59/35/169275935.db2.gz OKECURDVGIMDIX-KBPBESRZSA-N 1 3 241.423 1.648 10 0 BDAEHO CN(CCOCC[NH3+])c1ccnc2ccccc21 ZINC000305984695 384561449 /nfs/dbraw/zinc/56/14/49/384561449.db2.gz IIUXLCFDLFJALY-UHFFFAOYSA-N 1 3 245.326 1.646 10 0 BDAEHO CO[C@@H](C)CC[NH2+][C@@H]1CCCNCC1 ZINC000308549437 384796858 /nfs/dbraw/zinc/79/68/58/384796858.db2.gz SUHWQGLQQVLQLQ-WDEREUQCSA-N 1 3 200.326 1.143 10 0 BDAEHO C[NH2+][C@@H](C)CNC(=O)c1ccc(CN(C)C)cc1 ZINC000647032439 385167604 /nfs/dbraw/zinc/16/76/04/385167604.db2.gz JTDCYSFDHJITSV-NSHDSACASA-N 1 3 249.358 1.086 10 0 BDAEHO CO[C@H]1CN(C(C)C)[C@H]1C1CC[NH2+]CC1 ZINC000169676815 385417594 /nfs/dbraw/zinc/41/75/94/385417594.db2.gz WLEJSTDJPLZDDI-RYUDHWBXSA-N 1 3 212.337 1.094 10 0 BDAEHO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCCN)C12CCC2 ZINC000336734013 385653347 /nfs/dbraw/zinc/65/33/47/385653347.db2.gz GZPVGQBXZSLYTQ-HBNTYKKESA-N 1 3 212.337 1.128 10 0 BDAEHO CO[C@@H]1[C@@H](C)[C@@H](NCCC[NH3+])C12CCC2 ZINC000336734013 385653348 /nfs/dbraw/zinc/65/33/48/385653348.db2.gz GZPVGQBXZSLYTQ-HBNTYKKESA-N 1 3 212.337 1.128 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@@H]1CCCSC1 ZINC000307161216 385662563 /nfs/dbraw/zinc/66/25/63/385662563.db2.gz WWDSUDMXZZGSEY-JTQLQIEISA-N 1 3 214.378 1.471 10 0 BDAEHO COCC[C@H](COC)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000519767291 386552455 /nfs/dbraw/zinc/55/24/55/386552455.db2.gz YKIJJXBEVXQYLO-YNEHKIRRSA-N 1 3 244.379 1.016 10 0 BDAEHO COCC[C@H](COC)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000519767291 386552460 /nfs/dbraw/zinc/55/24/60/386552460.db2.gz YKIJJXBEVXQYLO-YNEHKIRRSA-N 1 3 244.379 1.016 10 0 BDAEHO [NH3+]CCCC[C@@H]([NH3+])c1ccc([O-])cc1F ZINC000575439102 387121587 /nfs/dbraw/zinc/12/15/87/387121587.db2.gz SNOGVSXGFUWIIB-LLVKDONJSA-N 1 3 212.268 1.660 10 0 BDAEHO COc1cc(F)c([C@H](N)CCC[NH3+])c(F)c1 ZINC000575438348 387129266 /nfs/dbraw/zinc/12/92/66/387129266.db2.gz IVRJRAHFQZIENG-SNVBAGLBSA-N 1 3 230.258 1.712 10 0 BDAEHO CCCCOCCC[NH2+][C@H]1CCCNCC1 ZINC000229341839 387172771 /nfs/dbraw/zinc/17/27/71/387172771.db2.gz WHIIGINXNVOCKZ-ZDUSSCGKSA-N 1 3 228.380 1.925 10 0 BDAEHO C[C@H]([NH2+]CCCOC(F)F)[C@@H]1CCCNC1 ZINC000643488131 387362318 /nfs/dbraw/zinc/36/23/18/387362318.db2.gz HJHQVTCGPWTYSL-VHSXEESVSA-N 1 3 236.306 1.593 10 0 BDAEHO CN(CCC[NH+]1CCCC1)[C@H]1CCC[C@H]1O ZINC000352668004 387428579 /nfs/dbraw/zinc/42/85/79/387428579.db2.gz OVTQRPRNFKMBHH-QWHCGFSZSA-N 1 3 226.364 1.318 10 0 BDAEHO C[C@H](C[NH2+][C@H]1CCNC1)CC(F)(F)F ZINC000396923428 387515113 /nfs/dbraw/zinc/51/51/13/387515113.db2.gz POKPFQBOBZAMTQ-YUMQZZPRSA-N 1 3 210.243 1.526 10 0 BDAEHO Cc1cnn(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000300409710 387520143 /nfs/dbraw/zinc/52/01/43/387520143.db2.gz NSCJJIJRVKNILN-KBPBESRZSA-N 1 3 248.374 1.408 10 0 BDAEHO Cc1cnn(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000300409710 387520148 /nfs/dbraw/zinc/52/01/48/387520148.db2.gz NSCJJIJRVKNILN-KBPBESRZSA-N 1 3 248.374 1.408 10 0 BDAEHO C[C@H]1C[N@H+](CC[C@H]2CCCN2C)CCS1 ZINC000245587514 387964784 /nfs/dbraw/zinc/96/47/84/387964784.db2.gz FFAHLMFXPGDBOF-NWDGAFQWSA-N 1 3 228.405 1.908 10 0 BDAEHO C[C@H]1C[N@@H+](CC[C@H]2CCCN2C)CCS1 ZINC000245587514 387964787 /nfs/dbraw/zinc/96/47/87/387964787.db2.gz FFAHLMFXPGDBOF-NWDGAFQWSA-N 1 3 228.405 1.908 10 0 BDAEHO C[C@H](O)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494504 388103487 /nfs/dbraw/zinc/10/34/87/388103487.db2.gz BJJMVYFDYBIFCV-RVMXOQNASA-N 1 3 226.364 1.268 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166592561 388254820 /nfs/dbraw/zinc/25/48/20/388254820.db2.gz MHPDAJAMKLSBIX-JHJVBQTASA-N 1 3 240.391 1.610 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166592561 388254822 /nfs/dbraw/zinc/25/48/22/388254822.db2.gz MHPDAJAMKLSBIX-JHJVBQTASA-N 1 3 240.391 1.610 10 0 BDAEHO C[C@H]([NH3+])[C@@H](C)CN1CCSC[C@@H]1C ZINC000228600384 388386294 /nfs/dbraw/zinc/38/62/94/388386294.db2.gz MCGVFZNMQLJIIE-GUBZILKMSA-N 1 3 202.367 1.407 10 0 BDAEHO C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]CC2)CS1 ZINC000307367270 388423709 /nfs/dbraw/zinc/42/37/09/388423709.db2.gz MTAAWOVLSLMSNZ-VWYCJHECSA-N 1 3 214.378 1.612 10 0 BDAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCNCC2)CS1 ZINC000307367270 388423710 /nfs/dbraw/zinc/42/37/10/388423710.db2.gz MTAAWOVLSLMSNZ-VWYCJHECSA-N 1 3 214.378 1.612 10 0 BDAEHO CC[C@H](CCO)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000517024009 388533178 /nfs/dbraw/zinc/53/31/78/388533178.db2.gz NFKPRWYLBIBPCO-UPJWGTAASA-N 1 3 228.380 1.373 10 0 BDAEHO C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000530224845 388634180 /nfs/dbraw/zinc/63/41/80/388634180.db2.gz MQHYSVZIJPECBY-PDWLFKFUSA-N 1 3 226.364 1.386 10 0 BDAEHO O[C@@H]1CCCC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000252791915 388785281 /nfs/dbraw/zinc/78/52/81/388785281.db2.gz UROPBMCZFOKPNX-QJPTWQEYSA-N 1 3 212.337 1.022 10 0 BDAEHO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000252791915 388785284 /nfs/dbraw/zinc/78/52/84/388785284.db2.gz UROPBMCZFOKPNX-QJPTWQEYSA-N 1 3 212.337 1.022 10 0 BDAEHO C[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H]1CCCNC1 ZINC000566088881 388986745 /nfs/dbraw/zinc/98/67/45/388986745.db2.gz FOVQISWERCHGML-NWDGAFQWSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@H](NCC(C)(C)C(C)(C)O)[C@@H]1CCC[NH2+]C1 ZINC000566088881 388986748 /nfs/dbraw/zinc/98/67/48/388986748.db2.gz FOVQISWERCHGML-NWDGAFQWSA-N 1 3 242.407 1.761 10 0 BDAEHO CCC[C@H](O)CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566089201 388986861 /nfs/dbraw/zinc/98/68/61/388986861.db2.gz FGDIYWIMBITZSS-WOPDTQHZSA-N 1 3 214.353 1.125 10 0 BDAEHO CCC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000566089201 388986863 /nfs/dbraw/zinc/98/68/63/388986863.db2.gz FGDIYWIMBITZSS-WOPDTQHZSA-N 1 3 214.353 1.125 10 0 BDAEHO C[C@@H](N[C@H]1CSC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000306966889 533548185 /nfs/dbraw/zinc/54/81/85/533548185.db2.gz MCRFFJDVKQIGQN-ZNSHCXBVSA-N 1 3 214.378 1.326 10 0 BDAEHO [NH3+]Cc1ccccc1N1CCN(CC2CC2)CC1 ZINC000020266338 132330669 /nfs/dbraw/zinc/33/06/69/132330669.db2.gz VRXYRUXRCKBIMN-UHFFFAOYSA-N 1 3 245.370 1.677 10 0 BDAEHO C[C@@H]1CCN(CCC[NH+]2CCCC2)[C@H]1CO ZINC000248989068 135029919 /nfs/dbraw/zinc/02/99/19/135029919.db2.gz WVOCMTSQHRZRCL-OLZOCXBDSA-N 1 3 226.364 1.175 10 0 BDAEHO N[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261527270 135150709 /nfs/dbraw/zinc/15/07/09/135150709.db2.gz IYQVIYLVIGCNFX-NXEZZACHSA-N 1 3 218.291 1.845 10 0 BDAEHO N[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261527270 135150710 /nfs/dbraw/zinc/15/07/10/135150710.db2.gz IYQVIYLVIGCNFX-NXEZZACHSA-N 1 3 218.291 1.845 10 0 BDAEHO CCC1(C[N@@H+]2CC[C@H](CN)C2)CCOCC1 ZINC000261560911 135201853 /nfs/dbraw/zinc/20/18/53/135201853.db2.gz AIGUCKKMFQCTKX-GFCCVEGCSA-N 1 3 226.364 1.474 10 0 BDAEHO CCC1(C[N@H+]2CC[C@H](CN)C2)CCOCC1 ZINC000261560911 135201855 /nfs/dbraw/zinc/20/18/55/135201855.db2.gz AIGUCKKMFQCTKX-GFCCVEGCSA-N 1 3 226.364 1.474 10 0 BDAEHO C[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000348185633 136044510 /nfs/dbraw/zinc/04/45/10/136044510.db2.gz BWICRPDCUDVSFF-QJPTWQEYSA-N 1 3 212.337 1.238 10 0 BDAEHO C[C@@H]1OCC[C@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000348185633 136044511 /nfs/dbraw/zinc/04/45/11/136044511.db2.gz BWICRPDCUDVSFF-QJPTWQEYSA-N 1 3 212.337 1.238 10 0 BDAEHO C[C@@H]1OCC[C@H]1NCC[C@H]1CCC[N@H+]1C ZINC000348185633 136044512 /nfs/dbraw/zinc/04/45/12/136044512.db2.gz BWICRPDCUDVSFF-QJPTWQEYSA-N 1 3 212.337 1.238 10 0 BDAEHO C[C@@H]1C[C@H]([NH3+])CN1[C@H]1CCS[C@H]1C ZINC000575592404 397990596 /nfs/dbraw/zinc/99/05/96/397990596.db2.gz RLPISWKGEPOMSZ-KATARQTJSA-N 1 3 200.351 1.302 10 0 BDAEHO CC(C)[NH2+]C[C@@H](C)N1CCCN(C)CC1 ZINC000052424087 167111153 /nfs/dbraw/zinc/11/11/53/167111153.db2.gz ZXYXCOBFEXEGIW-GFCCVEGCSA-N 1 3 213.369 1.010 10 0 BDAEHO CCCN1CC[C@H](N[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000665274085 410743751 /nfs/dbraw/zinc/74/37/51/410743751.db2.gz JKSPTKRLEWKOFV-RDBSUJKOSA-N 1 3 239.407 1.448 10 0 BDAEHO CC(C)CN1CCN(C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000055079096 166971329 /nfs/dbraw/zinc/97/13/29/166971329.db2.gz LUKMKSGKKJSHKN-CYBMUJFWSA-N 1 3 241.423 1.633 10 0 BDAEHO CC(C)[NH2+]C[C@@H]1CCN(CC[C@@H]2CCCO2)C1 ZINC000053033575 167113948 /nfs/dbraw/zinc/11/39/48/167113948.db2.gz GFTUSEUPQNTIJT-KBPBESRZSA-N 1 3 240.391 1.875 10 0 BDAEHO CC(C)[NH2+]C[C@@H]1CCN(CC2CCOCC2)C1 ZINC000104196078 167114217 /nfs/dbraw/zinc/11/42/17/167114217.db2.gz MUDWIRCEWUWXPW-AWEZNQCLSA-N 1 3 240.391 1.733 10 0 BDAEHO CC(C)[C@@H](CN(C)C)[NH2+]CCCN1CCCC1 ZINC000049332732 167395943 /nfs/dbraw/zinc/39/59/43/167395943.db2.gz HSNYBXLWVOWOEV-CQSZACIVSA-N 1 3 241.423 1.648 10 0 BDAEHO CCN1CCN(CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764292 169990019 /nfs/dbraw/zinc/99/00/19/169990019.db2.gz OARFGPLQPLKPTN-CYBMUJFWSA-N 1 3 225.380 1.156 10 0 BDAEHO CCNC[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598711 170119150 /nfs/dbraw/zinc/11/91/50/170119150.db2.gz SQUDYMVLLXOWPL-LSDHHAIUSA-N 1 3 248.370 1.446 10 0 BDAEHO CCNC[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598711 170119151 /nfs/dbraw/zinc/11/91/51/170119151.db2.gz SQUDYMVLLXOWPL-LSDHHAIUSA-N 1 3 248.370 1.446 10 0 BDAEHO CC[NH2+]C[C@H]1CC[C@@H](CN(CC)CCOC)O1 ZINC000052542780 170123857 /nfs/dbraw/zinc/12/38/57/170123857.db2.gz RVTOYABDGNKDME-OLZOCXBDSA-N 1 3 244.379 1.112 10 0 BDAEHO CC[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC000052379579 170128236 /nfs/dbraw/zinc/12/82/36/170128236.db2.gz UAEAQHUWDPPWCD-UHFFFAOYSA-N 1 3 247.386 1.544 10 0 BDAEHO CC[NH2+]Cc1sc(CCN(C)C)nc1CC ZINC000082425745 170132418 /nfs/dbraw/zinc/13/24/18/170132418.db2.gz MMNNRCLRJJDRNP-UHFFFAOYSA-N 1 3 241.404 1.919 10 0 BDAEHO CC[NH2+][C@H](C)CN1CCN([C@@H](C)CC)CC1 ZINC000055065618 170156997 /nfs/dbraw/zinc/15/69/97/170156997.db2.gz NOGSRFOEFYNALR-OLZOCXBDSA-N 1 3 227.396 1.401 10 0 BDAEHO CCOC(=O)CC[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037904597 170209379 /nfs/dbraw/zinc/20/93/79/170209379.db2.gz AGANSZJLCXYVFX-LLVKDONJSA-N 1 3 240.347 1.014 10 0 BDAEHO CCOC(=O)CCNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037904597 170209381 /nfs/dbraw/zinc/20/93/81/170209381.db2.gz AGANSZJLCXYVFX-LLVKDONJSA-N 1 3 240.347 1.014 10 0 BDAEHO CCOC(=O)CCNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904597 170209383 /nfs/dbraw/zinc/20/93/83/170209383.db2.gz AGANSZJLCXYVFX-LLVKDONJSA-N 1 3 240.347 1.014 10 0 BDAEHO CC[C@@H](CN[C@H]1CCC[NH2+]CC1)OC ZINC000308492671 170830976 /nfs/dbraw/zinc/83/09/76/170830976.db2.gz AKGOWLSFBBVFMC-QWRGUYRKSA-N 1 3 200.326 1.143 10 0 BDAEHO CC[C@@H]1CCN([C@@H]2CN3CCC2CC3)CC[NH2+]1 ZINC000049661419 171013647 /nfs/dbraw/zinc/01/36/47/171013647.db2.gz BBWHMXNULFWDMO-ZIAGYGMSSA-N 1 3 237.391 1.155 10 0 BDAEHO CC[C@@]1(CNC[C@H]2CCCCO2)CCC[NH2+]C1 ZINC000062862860 171211219 /nfs/dbraw/zinc/21/12/19/171211219.db2.gz ZVKYJBKXUHPWJS-ZIAGYGMSSA-N 1 3 240.391 1.925 10 0 BDAEHO CC[C@@]1(C[NH2+]C[C@H]2CCCCO2)CCCNC1 ZINC000062862860 171211220 /nfs/dbraw/zinc/21/12/20/171211220.db2.gz ZVKYJBKXUHPWJS-ZIAGYGMSSA-N 1 3 240.391 1.925 10 0 BDAEHO CC[C@H](C)C[N@H+](C)C1(CN)CCN(CC)CC1 ZINC000037172713 171272873 /nfs/dbraw/zinc/27/28/73/171272873.db2.gz AOXMYYUMIGEVPJ-ZDUSSCGKSA-N 1 3 241.423 1.778 10 0 BDAEHO CC[C@H](C)C[N@@H+](C)C1(CN)CCN(CC)CC1 ZINC000037172713 171272875 /nfs/dbraw/zinc/27/28/75/171272875.db2.gz AOXMYYUMIGEVPJ-ZDUSSCGKSA-N 1 3 241.423 1.778 10 0 BDAEHO CC[C@H](C)N(CCOC)C1(C[NH3+])CCOCC1 ZINC000042578058 171315507 /nfs/dbraw/zinc/31/55/07/171315507.db2.gz QVXYFAOECIXCOK-LBPRGKRZSA-N 1 3 244.379 1.241 10 0 BDAEHO CC[C@H](C)[C@@H](N)C[N@@H+]1CCCSCC1 ZINC000042444908 171372669 /nfs/dbraw/zinc/37/26/69/171372669.db2.gz HFSBMJYGEMMCLJ-QWRGUYRKSA-N 1 3 216.394 1.799 10 0 BDAEHO CC[C@H](C)[C@@H](N)C[N@H+]1CCCSCC1 ZINC000042444908 171372671 /nfs/dbraw/zinc/37/26/71/171372671.db2.gz HFSBMJYGEMMCLJ-QWRGUYRKSA-N 1 3 216.394 1.799 10 0 BDAEHO CC[C@H](C)[C@H](C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055077888 171392197 /nfs/dbraw/zinc/39/21/97/171392197.db2.gz CUNLQWHDYCYHNY-KBPBESRZSA-N 1 3 241.423 1.633 10 0 BDAEHO C[NH+]1CCC([C@H](N)c2ccccn2)CC1 ZINC000077299179 173000482 /nfs/dbraw/zinc/00/04/82/173000482.db2.gz AXBMKXMHLHZHPA-LBPRGKRZSA-N 1 3 205.305 1.423 10 0 BDAEHO CN(c1cc(N)cc[nH+]1)[C@H]1CCCN(C)C1 ZINC000053205858 173043505 /nfs/dbraw/zinc/04/35/05/173043505.db2.gz WEXYOACMSDQHRB-NSHDSACASA-N 1 3 220.320 1.194 10 0 BDAEHO CN1CCN([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000037157153 173092201 /nfs/dbraw/zinc/09/22/01/173092201.db2.gz STUWIXWQZVSGGK-CHWSQXEVSA-N 1 3 225.380 1.141 10 0 BDAEHO CN1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000037484576 173116299 /nfs/dbraw/zinc/11/62/99/173116299.db2.gz LWBFILVCHPBCRX-LBPRGKRZSA-N 1 3 222.307 1.867 10 0 BDAEHO CN1CC[C@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000037484565 173147466 /nfs/dbraw/zinc/14/74/66/173147466.db2.gz WFTUPLAJVRRIOH-GFCCVEGCSA-N 1 3 220.316 1.434 10 0 BDAEHO CN(C)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000020523979 173206983 /nfs/dbraw/zinc/20/69/83/173206983.db2.gz UAEZYXMLAMZZJK-YHWZYXNKSA-N 1 3 239.407 1.541 10 0 BDAEHO C[NH2+]CC1(CN(C)C[C@H]2C[C@H]2C)CCOCC1 ZINC000104426967 173338111 /nfs/dbraw/zinc/33/81/11/173338111.db2.gz VTQKSXHILCSAMH-CHWSQXEVSA-N 1 3 240.391 1.590 10 0 BDAEHO CNCC1(C[N@H+](C)C[C@H]2C[C@H]2C)CCOCC1 ZINC000104426967 173338113 /nfs/dbraw/zinc/33/81/13/173338113.db2.gz VTQKSXHILCSAMH-CHWSQXEVSA-N 1 3 240.391 1.590 10 0 BDAEHO CNCC1(C[N@@H+](C)C[C@H]2C[C@H]2C)CCOCC1 ZINC000104426967 173338114 /nfs/dbraw/zinc/33/81/14/173338114.db2.gz VTQKSXHILCSAMH-CHWSQXEVSA-N 1 3 240.391 1.590 10 0 BDAEHO CNC[C@@H](O)C[N@H+](Cc1ccccc1)C(C)C ZINC000019864110 173364548 /nfs/dbraw/zinc/36/45/48/173364548.db2.gz UVTBBGUQHKYGQN-CQSZACIVSA-N 1 3 236.359 1.477 10 0 BDAEHO CNC[C@@H](O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000019864110 173364550 /nfs/dbraw/zinc/36/45/50/173364550.db2.gz UVTBBGUQHKYGQN-CQSZACIVSA-N 1 3 236.359 1.477 10 0 BDAEHO C[NH2+]C[C@@H]1CCN(CCCCn2ccnc2)C1 ZINC000053034308 173369554 /nfs/dbraw/zinc/36/95/54/173369554.db2.gz ZSOAMYDYZXSHPN-ZDUSSCGKSA-N 1 3 236.363 1.205 10 0 BDAEHO C[NH2+]C[C@H]1CCCN([C@@H]2CCSC2)C1 ZINC000040591904 173378628 /nfs/dbraw/zinc/37/86/28/173378628.db2.gz GZRAJPODPKZBQG-GHMZBOCLSA-N 1 3 214.378 1.423 10 0 BDAEHO C[NH2+]C[C@]1(CN2CCCSCC2)CCOC1 ZINC000051284261 173384320 /nfs/dbraw/zinc/38/43/20/173384320.db2.gz CUQNGLUIZUOBNJ-LBPRGKRZSA-N 1 3 244.404 1.051 10 0 BDAEHO CNC[C@]1(C[N@@H+]2CCCSCC2)CCOC1 ZINC000051284261 173384321 /nfs/dbraw/zinc/38/43/21/173384321.db2.gz CUQNGLUIZUOBNJ-LBPRGKRZSA-N 1 3 244.404 1.051 10 0 BDAEHO CNC[C@]1(C[N@H+]2CCCSCC2)CCOC1 ZINC000051284261 173384322 /nfs/dbraw/zinc/38/43/22/173384322.db2.gz CUQNGLUIZUOBNJ-LBPRGKRZSA-N 1 3 244.404 1.051 10 0 BDAEHO CNCc1ccccc1OCC[NH+]1CCCC1 ZINC000019777139 173390805 /nfs/dbraw/zinc/39/08/05/173390805.db2.gz DDIBULVSMQEAPJ-UHFFFAOYSA-N 1 3 234.343 1.881 10 0 BDAEHO CNCc1ccoc1CN1CC[C@@H]([NH+](C)C)C1 ZINC000062971578 173391724 /nfs/dbraw/zinc/39/17/24/173391724.db2.gz ZLVHTANHCSLTNV-GFCCVEGCSA-N 1 3 237.347 1.135 10 0 BDAEHO CNCc1occc1CN1CC[C@H]([NH+](C)C)C1 ZINC000062971521 173399878 /nfs/dbraw/zinc/39/98/78/173399878.db2.gz ZIKNUPJPFDSKSU-LBPRGKRZSA-N 1 3 237.347 1.135 10 0 BDAEHO COCCCN(CCOC)[C@](C)(C[NH3+])C(C)C ZINC000042420826 174225298 /nfs/dbraw/zinc/22/52/98/174225298.db2.gz HLHQEXQCHCYXBF-CYBMUJFWSA-N 1 3 246.395 1.345 10 0 BDAEHO COCCCN(CCOC)[C@@](C)(C[NH3+])C(C)C ZINC000042420827 174226353 /nfs/dbraw/zinc/22/63/53/174226353.db2.gz HLHQEXQCHCYXBF-ZDUSSCGKSA-N 1 3 246.395 1.345 10 0 BDAEHO COCCN(CC(C)C)C1(C[NH3+])CCOCC1 ZINC000042368057 174287491 /nfs/dbraw/zinc/28/74/91/174287491.db2.gz OYRUASYNQRPCSF-UHFFFAOYSA-N 1 3 244.379 1.099 10 0 BDAEHO C[C@@H](c1ccc(O)cc1)N1CC[C@H](C[NH3+])C1 ZINC000050245051 176017339 /nfs/dbraw/zinc/01/73/39/176017339.db2.gz ANCIEBNZRCQAFJ-WDEREUQCSA-N 1 3 220.316 1.734 10 0 BDAEHO C[C@@H]1CCNCC[N@@H+]1CCc1cccs1 ZINC000071531836 176184987 /nfs/dbraw/zinc/18/49/87/176184987.db2.gz BJSJJFXZXCYXDS-LLVKDONJSA-N 1 3 224.373 1.974 10 0 BDAEHO C[C@@H]1CCNCC[N@H+]1CCc1cccs1 ZINC000071531836 176184988 /nfs/dbraw/zinc/18/49/88/176184988.db2.gz BJSJJFXZXCYXDS-LLVKDONJSA-N 1 3 224.373 1.974 10 0 BDAEHO C[C@@H]1CC[C@@H](O)[C@H](CN(C)CCC[NH+](C)C)C1 ZINC000104189030 176215255 /nfs/dbraw/zinc/21/52/55/176215255.db2.gz NQYJPDJYSJUYGV-HZSPNIEDSA-N 1 3 242.407 1.667 10 0 BDAEHO C[C@H](C[NH2+][C@H]1CCOC[C@H]1C)CN(C)C ZINC000336690618 176339972 /nfs/dbraw/zinc/33/99/72/176339972.db2.gz MHEYRQIYIZATLX-UTUOFQBUSA-N 1 3 214.353 1.199 10 0 BDAEHO C[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)CN(C)C ZINC000336690616 176344481 /nfs/dbraw/zinc/34/44/81/176344481.db2.gz MHEYRQIYIZATLX-IJLUTSLNSA-N 1 3 214.353 1.199 10 0 BDAEHO C[C@@H]1CSC(NC[C@H]2CCN(C)C2)=[NH+]1 ZINC000037485239 176349047 /nfs/dbraw/zinc/34/90/47/176349047.db2.gz MLBNXSIDYPKPNR-RKDXNWHRSA-N 1 3 213.350 1.019 10 0 BDAEHO C[C@@H]1CC[N@H+](C2CCOCC2)CC[C@H](C)N1 ZINC000049666374 177157226 /nfs/dbraw/zinc/15/72/26/177157226.db2.gz GQHUQVKWVHBFQZ-TXEJJXNPSA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@@H]1CC[N@@H+](C2CCOCC2)CC[C@H](C)N1 ZINC000049666374 177157228 /nfs/dbraw/zinc/15/72/28/177157228.db2.gz GQHUQVKWVHBFQZ-TXEJJXNPSA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@H]1C[N@H+](CC[C@@H]2CCCN2C)CCS1 ZINC000161644321 177254304 /nfs/dbraw/zinc/25/43/04/177254304.db2.gz FFAHLMFXPGDBOF-RYUDHWBXSA-N 1 3 228.405 1.908 10 0 BDAEHO C[C@H]1C[N@@H+](CC[C@@H]2CCCN2C)CCS1 ZINC000161644321 177254305 /nfs/dbraw/zinc/25/43/05/177254305.db2.gz FFAHLMFXPGDBOF-RYUDHWBXSA-N 1 3 228.405 1.908 10 0 BDAEHO C[C@H](N[C@H]1CC12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000400334378 226341018 /nfs/dbraw/zinc/34/10/18/226341018.db2.gz FQOAJWVWBPRZBP-TUAOUCFPSA-N 1 3 208.349 1.907 10 0 BDAEHO C[C@H](NC[C@@H]1CCCC[C@H]1O)[C@@H]1CC[NH2+]C1 ZINC000400382461 226342400 /nfs/dbraw/zinc/34/24/00/226342400.db2.gz KSBHVODMMJASLK-QNWHQSFQSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](CNC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000398338603 323006767 /nfs/dbraw/zinc/00/67/67/323006767.db2.gz FHGMPCODHFJEMK-CHWSQXEVSA-N 1 3 218.344 1.989 10 0 BDAEHO COCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000562957099 323035103 /nfs/dbraw/zinc/03/51/03/323035103.db2.gz WEEHMXYAHDKGSJ-NWDGAFQWSA-N 1 3 228.380 1.637 10 0 BDAEHO Cc1ccc(CCN[C@H](C)[C@@H]2CCC[NH2+]C2)nc1 ZINC000570035747 323047700 /nfs/dbraw/zinc/04/77/00/323047700.db2.gz PNXSTLQQCNVTLA-ZIAGYGMSSA-N 1 3 247.386 1.910 10 0 BDAEHO Cc1ccc(CCN[C@H](C)[C@H]2CCC[NH2+]C2)nc1 ZINC000570035745 323047796 /nfs/dbraw/zinc/04/77/96/323047796.db2.gz PNXSTLQQCNVTLA-KGLIPLIRSA-N 1 3 247.386 1.910 10 0 BDAEHO C[C@H](N[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]C1 ZINC000570832423 323072253 /nfs/dbraw/zinc/07/22/53/323072253.db2.gz WCNDTPWLQGLLQD-QJPTWQEYSA-N 1 3 212.337 1.143 10 0 BDAEHO CSCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000572510444 324136720 /nfs/dbraw/zinc/13/67/20/324136720.db2.gz JGRMGCGWTGQYJO-WDEREUQCSA-N 1 3 216.394 1.717 10 0 BDAEHO COC[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400415960 324166733 /nfs/dbraw/zinc/16/67/33/324166733.db2.gz VGEKJLCALVIKNQ-SRVKXCTJSA-N 1 3 214.353 1.245 10 0 BDAEHO C[C@@H]([NH2+]CCC(C)(C)O)[C@H]1CCCNC1 ZINC000567647036 326238197 /nfs/dbraw/zinc/23/81/97/326238197.db2.gz NCTRAJOBPGBROM-MNOVXSKESA-N 1 3 214.353 1.125 10 0 BDAEHO C[C@@H](NCCC(C)(C)O)[C@H]1CCC[NH2+]C1 ZINC000567647036 326238198 /nfs/dbraw/zinc/23/81/98/326238198.db2.gz NCTRAJOBPGBROM-MNOVXSKESA-N 1 3 214.353 1.125 10 0 BDAEHO OCC[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000220371278 487979966 /nfs/dbraw/zinc/97/99/66/487979966.db2.gz VYXXIGQJYFKZDW-QWHCGFSZSA-N 1 3 226.364 1.080 10 0 BDAEHO OCC[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000220371278 487979968 /nfs/dbraw/zinc/97/99/68/487979968.db2.gz VYXXIGQJYFKZDW-QWHCGFSZSA-N 1 3 226.364 1.080 10 0 BDAEHO OCC[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000220371278 487979973 /nfs/dbraw/zinc/97/99/73/487979973.db2.gz VYXXIGQJYFKZDW-QWHCGFSZSA-N 1 3 226.364 1.080 10 0 BDAEHO CCCN1CC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000389517734 488099226 /nfs/dbraw/zinc/09/92/26/488099226.db2.gz GICPTFAOQLQQNW-OLZOCXBDSA-N 1 3 225.380 1.202 10 0 BDAEHO C[NH2+][C@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000054076158 488206078 /nfs/dbraw/zinc/20/60/78/488206078.db2.gz HBYDNOYEHUIGGT-DGCLKSJQSA-N 1 3 249.358 1.013 10 0 BDAEHO Cc1nc([C@H]2CCCN(C3CC[NH2+]CC3)C2)n[nH]1 ZINC000584615492 490176448 /nfs/dbraw/zinc/17/64/48/490176448.db2.gz XEWSXZGOOYPSSU-NSHDSACASA-N 1 3 249.362 1.045 10 0 BDAEHO Cc1n[nH]c([C@H]2CCCN(C3CC[NH2+]CC3)C2)n1 ZINC000584615492 490176453 /nfs/dbraw/zinc/17/64/53/490176453.db2.gz XEWSXZGOOYPSSU-NSHDSACASA-N 1 3 249.362 1.045 10 0 BDAEHO Cc1nnc([C@H]2CCCN(C3CC[NH2+]CC3)C2)[nH]1 ZINC000584615492 490176460 /nfs/dbraw/zinc/17/64/60/490176460.db2.gz XEWSXZGOOYPSSU-NSHDSACASA-N 1 3 249.362 1.045 10 0 BDAEHO c1ccc2c(c1)C[C@@H]2CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090978322 491130336 /nfs/dbraw/zinc/13/03/36/491130336.db2.gz GUXLWIUWISZRMI-MCIONIFRSA-N 1 3 228.339 1.478 10 0 BDAEHO CCN1CCC2(CC1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757139818 582520075 /nfs/dbraw/zinc/52/00/75/582520075.db2.gz IAUWTMNTSVWTJA-GFCCVEGCSA-N 1 3 224.348 1.587 10 0 BDAEHO C1CC1N1CCC2(CC1)[NH2+]CC1(CC1)CO2 ZINC000757146004 582529241 /nfs/dbraw/zinc/52/92/41/582529241.db2.gz QXGVDSWIMIUKLA-UHFFFAOYSA-N 1 3 222.332 1.341 10 0 BDAEHO C[C@H]1CC(C)(C)C[C@]2(C1)[NH2+]CCC1(CNC1)O2 ZINC000757146340 582529544 /nfs/dbraw/zinc/52/95/44/582529544.db2.gz KFZVTQFZWKUSSM-SMDDNHRTSA-N 1 3 238.375 1.881 10 0 BDAEHO CC(C)OCCCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400360023 527949332 /nfs/dbraw/zinc/94/93/32/527949332.db2.gz NJDLSCKXHRWOPG-VXGBXAGGSA-N 1 3 214.353 1.389 10 0 BDAEHO CC(C)SCCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400586208 528320252 /nfs/dbraw/zinc/32/02/52/528320252.db2.gz SASLDCHZOGCYTQ-GHMZBOCLSA-N 1 3 216.394 1.716 10 0 BDAEHO CCC(CC)(CO)CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400747435 528707892 /nfs/dbraw/zinc/70/78/92/528707892.db2.gz UTUGANCAHLESMO-NWDGAFQWSA-N 1 3 228.380 1.373 10 0 BDAEHO CCC1(C[NH2+][C@@H]2CCNC[C@@H]2C)CCOCC1 ZINC000261544978 535296918 /nfs/dbraw/zinc/29/69/18/535296918.db2.gz FLLJQPJDYLIEQN-QWHCGFSZSA-N 1 3 240.391 1.781 10 0 BDAEHO C[N@@H+]1CCCC[C@H]1CCn1ccnc1N ZINC000702458514 582926386 /nfs/dbraw/zinc/92/63/86/582926386.db2.gz BLNWSIHZWNCONY-JTQLQIEISA-N 1 3 208.309 1.340 10 0 BDAEHO C[N@H+]1CCCC[C@H]1CCn1ccnc1N ZINC000702458514 582926390 /nfs/dbraw/zinc/92/63/90/582926390.db2.gz BLNWSIHZWNCONY-JTQLQIEISA-N 1 3 208.309 1.340 10 0 BDAEHO C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757124154 582499192 /nfs/dbraw/zinc/49/91/92/582499192.db2.gz BYFROMSCBQYATD-RNJOBUHISA-N 1 3 208.349 1.859 10 0 BDAEHO C[C@@H]1C[C@@H]1[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757124154 582499194 /nfs/dbraw/zinc/49/91/94/582499194.db2.gz BYFROMSCBQYATD-RNJOBUHISA-N 1 3 208.349 1.859 10 0 BDAEHO COC[C@H](C)[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757132885 582508150 /nfs/dbraw/zinc/50/81/50/582508150.db2.gz SAJSDWULDDOACN-YNEHKIRRSA-N 1 3 226.364 1.628 10 0 BDAEHO COC[C@H](C)[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757132885 582508151 /nfs/dbraw/zinc/50/81/51/582508151.db2.gz SAJSDWULDDOACN-YNEHKIRRSA-N 1 3 226.364 1.628 10 0 BDAEHO COC[C@H](C)[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757132872 582508591 /nfs/dbraw/zinc/50/85/91/582508591.db2.gz SAJSDWULDDOACN-RWMBFGLXSA-N 1 3 226.364 1.628 10 0 BDAEHO COC[C@H](C)[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757132872 582508594 /nfs/dbraw/zinc/50/85/94/582508594.db2.gz SAJSDWULDDOACN-RWMBFGLXSA-N 1 3 226.364 1.628 10 0 BDAEHO CC(C)CN1CCC2(CC1)[NH2+]CCCO2 ZINC000757143700 582523865 /nfs/dbraw/zinc/52/38/65/582523865.db2.gz XSPIIFWNKUVODS-UHFFFAOYSA-N 1 3 212.337 1.444 10 0 BDAEHO Nc1cccc([C@H]2CCN[C@@H](C[NH3+])C2)c1 ZINC000757213362 582560715 /nfs/dbraw/zinc/56/07/15/582560715.db2.gz JRUBCPXZXHHPHJ-CMPLNLGQSA-N 1 3 205.305 1.063 10 0 BDAEHO Nc1cccc([C@@H]2CCN[C@H](C[NH3+])C2)c1 ZINC000757213366 586439494 /nfs/dbraw/zinc/43/94/94/586439494.db2.gz JRUBCPXZXHHPHJ-PWSUYJOCSA-N 1 3 205.305 1.063 10 0 BDAEHO CC(C)(C)n1cc([C@@H]2CNC[C@@H](C[NH3+])C2)cn1 ZINC000757237949 586443941 /nfs/dbraw/zinc/44/39/41/586443941.db2.gz QXFNNWFWUKRONR-MNOVXSKESA-N 1 3 236.363 1.290 10 0 BDAEHO CC(C)(C)n1cc([C@@H]2C[NH2+]C[C@@H](CN)C2)cn1 ZINC000757237949 586443942 /nfs/dbraw/zinc/44/39/42/586443942.db2.gz QXFNNWFWUKRONR-MNOVXSKESA-N 1 3 236.363 1.290 10 0 BDAEHO C[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000253236131 642632204 /nfs/dbraw/zinc/63/22/04/642632204.db2.gz NJTQQHIHIUDOBZ-UTUOFQBUSA-N 1 3 212.337 1.082 10 0 BDAEHO C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CCCO2)C1 ZINC000251680012 644816934 /nfs/dbraw/zinc/81/69/34/644816934.db2.gz VRYJPWNQEQQBLN-SDDRHHMPSA-N 1 3 212.337 1.225 10 0 BDAEHO CC[C@@H]1C[C@H]1CN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000723138007 710726849 /nfs/dbraw/zinc/72/68/49/710726849.db2.gz JEFOLBDHDYEKJH-MROQNXINSA-N 1 3 226.364 1.471 10 0 BDAEHO COC[C@H](C[N@@H+]1C[C@@H](C)[C@@H](CN)C1)C(C)C ZINC000721921363 711937290 /nfs/dbraw/zinc/93/72/90/711937290.db2.gz RGOWCOIMAHQSJI-AGIUHOORSA-N 1 3 228.380 1.432 10 0 BDAEHO COC[C@H](C[N@H+]1C[C@@H](C)[C@@H](CN)C1)C(C)C ZINC000721921363 711937292 /nfs/dbraw/zinc/93/72/92/711937292.db2.gz RGOWCOIMAHQSJI-AGIUHOORSA-N 1 3 228.380 1.432 10 0 BDAEHO C[C@H](NC[C@@H]1CCC(C)(C)CO1)[C@@H]1CC[NH2+]C1 ZINC000711248901 712291335 /nfs/dbraw/zinc/29/13/35/712291335.db2.gz JNWSUMCVKZNQGJ-XQQFMLRXSA-N 1 3 240.391 1.779 10 0 BDAEHO CCC(CC)(C[NH3+])CN1CCN(C2CC2)CC1 ZINC000051285133 168323360 /nfs/dbraw/zinc/32/33/60/168323360.db2.gz MICKNTKLVLPKIA-UHFFFAOYSA-N 1 3 239.407 1.532 10 0 BDAEHO CCC(CC)(C[NH3+])N1CCN(CC(C)C)CC1 ZINC000055078458 168323447 /nfs/dbraw/zinc/32/34/47/168323447.db2.gz DRIDPDXFWQXMHE-UHFFFAOYSA-N 1 3 241.423 1.778 10 0 BDAEHO C[N@H+](C[C@H](O)CN)C[C@H]1CCCCC1(F)F ZINC000381724254 398270139 /nfs/dbraw/zinc/27/01/39/398270139.db2.gz RYIHNJBEZGSRDP-NXEZZACHSA-N 1 3 236.306 1.063 10 0 BDAEHO C[N@@H+](C[C@H](O)CN)C[C@H]1CCCCC1(F)F ZINC000381724254 398270141 /nfs/dbraw/zinc/27/01/41/398270141.db2.gz RYIHNJBEZGSRDP-NXEZZACHSA-N 1 3 236.306 1.063 10 0 BDAEHO C[N@H+](C[C@H](O)CN)C[C@@H]1CCCCC1(F)F ZINC000381724256 398270256 /nfs/dbraw/zinc/27/02/56/398270256.db2.gz RYIHNJBEZGSRDP-VHSXEESVSA-N 1 3 236.306 1.063 10 0 BDAEHO C[N@@H+](C[C@H](O)CN)C[C@@H]1CCCCC1(F)F ZINC000381724256 398270257 /nfs/dbraw/zinc/27/02/57/398270257.db2.gz RYIHNJBEZGSRDP-VHSXEESVSA-N 1 3 236.306 1.063 10 0 BDAEHO C[C@@H]([NH3+])[C@H](C)CN1CCCSCC1 ZINC000165075017 342873960 /nfs/dbraw/zinc/87/39/60/342873960.db2.gz SXFQBZGVQPHRCJ-NXEZZACHSA-N 1 3 202.367 1.409 10 0 BDAEHO CC[C@@H](C[NH2+][C@H]1CCNC1)CC(F)(F)F ZINC000402698964 529496265 /nfs/dbraw/zinc/49/62/65/529496265.db2.gz RHRPICVSZIGAFQ-BDAKNGLRSA-N 1 3 224.270 1.917 10 0 BDAEHO C[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000052395782 343599879 /nfs/dbraw/zinc/59/98/79/343599879.db2.gz YGVVGRFXNKZDQM-YPMHNXCESA-N 1 3 249.358 1.013 10 0 BDAEHO [NH3+]CCCN1CCC2(CCCCO2)CC1 ZINC000409426496 343798062 /nfs/dbraw/zinc/79/80/62/343798062.db2.gz IGWYRJBXHDBWHI-UHFFFAOYSA-N 1 3 212.337 1.370 10 0 BDAEHO NCCC[N@@H+]1CCOC[C@@H]2CCCC[C@@H]21 ZINC000409427743 343801451 /nfs/dbraw/zinc/80/14/51/343801451.db2.gz FHHZJQYYWHYNNN-RYUDHWBXSA-N 1 3 212.337 1.226 10 0 BDAEHO NCCC[N@H+]1CCOC[C@@H]2CCCC[C@@H]21 ZINC000409427743 343801453 /nfs/dbraw/zinc/80/14/53/343801453.db2.gz FHHZJQYYWHYNNN-RYUDHWBXSA-N 1 3 212.337 1.226 10 0 BDAEHO [NH3+]CCCN1CCOC[C@@H]2CCCC[C@@H]21 ZINC000409427743 343801455 /nfs/dbraw/zinc/80/14/55/343801455.db2.gz FHHZJQYYWHYNNN-RYUDHWBXSA-N 1 3 212.337 1.226 10 0 BDAEHO CC1(CF)CC[NH+](C2CCNCC2)CC1 ZINC000409429694 343806172 /nfs/dbraw/zinc/80/61/72/343806172.db2.gz HVUNDQHLGREMEH-UHFFFAOYSA-N 1 3 214.328 1.810 10 0 BDAEHO CC1(CF)CCN(C2CC[NH2+]CC2)CC1 ZINC000409429694 343806173 /nfs/dbraw/zinc/80/61/73/343806173.db2.gz HVUNDQHLGREMEH-UHFFFAOYSA-N 1 3 214.328 1.810 10 0 BDAEHO CC(C)C[C@@H]1CN(CCC[NH3+])CC[C@@H]1O ZINC000409435539 343833903 /nfs/dbraw/zinc/83/39/03/343833903.db2.gz VIWHNHDQQDTRCI-NEPJUHHUSA-N 1 3 214.353 1.064 10 0 BDAEHO OC[C@@]12C[N@@H+](C3CCNCC3)C[C@@H]1CCCC2 ZINC000409435591 343834397 /nfs/dbraw/zinc/83/43/97/343834397.db2.gz VOUUQZXGPPCBRE-GXTWGEPZSA-N 1 3 238.375 1.223 10 0 BDAEHO OC[C@@]12C[N@H+](C3CCNCC3)C[C@@H]1CCCC2 ZINC000409435591 343834400 /nfs/dbraw/zinc/83/44/00/343834400.db2.gz VOUUQZXGPPCBRE-GXTWGEPZSA-N 1 3 238.375 1.223 10 0 BDAEHO C[C@@H]1C[C@H](N2CC[C@@H]([NH3+])[C@@H](C)C2)CS1 ZINC000227512526 344473531 /nfs/dbraw/zinc/47/35/31/344473531.db2.gz ROHVGCQXGVDKDA-ZRUFSTJUSA-N 1 3 214.378 1.550 10 0 BDAEHO [NH3+]C[C@@]1(NC2CC2)CCc2ccccc2C1 ZINC000050271341 344665103 /nfs/dbraw/zinc/66/51/03/344665103.db2.gz FHWBQYAXLGLHDT-CQSZACIVSA-N 1 3 216.328 1.625 10 0 BDAEHO CS[C@H]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC000235083347 344774909 /nfs/dbraw/zinc/77/49/09/344774909.db2.gz JJXOLPIIIFZVER-QWRGUYRKSA-N 1 3 214.378 1.694 10 0 BDAEHO CO[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000570953497 323082829 /nfs/dbraw/zinc/08/28/29/323082829.db2.gz GIUWDHJQPQNUQB-FRRDWIJNSA-N 1 3 228.380 1.635 10 0 BDAEHO CO[C@H](C[NH2+][C@H](C)[C@H]1CCCNC1)C(C)C ZINC000570953497 323082830 /nfs/dbraw/zinc/08/28/30/323082830.db2.gz GIUWDHJQPQNUQB-FRRDWIJNSA-N 1 3 228.380 1.635 10 0 BDAEHO C[C@H]1CN(Cc2cccs2)C[C@@H]1C[NH3+] ZINC000634998700 345198528 /nfs/dbraw/zinc/19/85/28/345198528.db2.gz JLRFVPFQGOQZHN-UWVGGRQHSA-N 1 3 210.346 1.775 10 0 BDAEHO CO[C@@H](C)C[N@@H+]1CCCNC(C)(C)C1 ZINC000167633671 346293322 /nfs/dbraw/zinc/29/33/22/346293322.db2.gz HDPXMEDBKBLORQ-JTQLQIEISA-N 1 3 200.326 1.095 10 0 BDAEHO CO[C@@H](C)C[N@H+]1CCCNC(C)(C)C1 ZINC000167633671 346293325 /nfs/dbraw/zinc/29/33/25/346293325.db2.gz HDPXMEDBKBLORQ-JTQLQIEISA-N 1 3 200.326 1.095 10 0 BDAEHO C[C@H]1CCCCN1Cc1cncc(C[NH3+])c1 ZINC000669378988 537973678 /nfs/dbraw/zinc/97/36/78/537973678.db2.gz RNLWHPKACLZYHY-NSHDSACASA-N 1 3 219.332 1.915 10 0 BDAEHO Nc1cnccc1[C@H]1CCC2(CC[NH2+]CC2)CN1 ZINC000585681315 346653718 /nfs/dbraw/zinc/65/37/18/346653718.db2.gz AXCPOGHWWDCOJE-CYBMUJFWSA-N 1 3 246.358 1.458 10 0 BDAEHO CN(C[C@@H]1CCCCO1)[C@H]1CCC[NH2+]CC1 ZINC000250428997 362803995 /nfs/dbraw/zinc/80/39/95/362803995.db2.gz QRZPYRYCLKTNFE-STQMWFEESA-N 1 3 226.364 1.629 10 0 BDAEHO C[C@@H](CN[C@@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000390644068 259396408 /nfs/dbraw/zinc/39/64/08/259396408.db2.gz LSBYSHRGHQETBZ-DZGCQCFKSA-N 1 3 247.386 1.458 10 0 BDAEHO C[C@@H](NCCc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000577267873 365908421 /nfs/dbraw/zinc/90/84/21/365908421.db2.gz PDKAGVVSBVSGFF-OLZOCXBDSA-N 1 3 233.359 1.602 10 0 BDAEHO CC(C)C[C@H](CN(C)C)NC(=O)CCCC[NH3+] ZINC000070201724 349976251 /nfs/dbraw/zinc/97/62/51/349976251.db2.gz IJXAPDYYHXTYKA-GFCCVEGCSA-N 1 3 243.395 1.208 10 0 BDAEHO Cc1nccn1CCN(CC[NH3+])C1CCCC1 ZINC000042428379 180252492 /nfs/dbraw/zinc/25/24/92/180252492.db2.gz NOSUFEIDJNMHJC-UHFFFAOYSA-N 1 3 236.363 1.395 10 0 BDAEHO Cc1nccn1CC[N@H+]1[C@@H](CN)CCC[C@@H]1C ZINC000104159232 180256793 /nfs/dbraw/zinc/25/67/93/180256793.db2.gz AVSFVSXBAUYPKX-WCQYABFASA-N 1 3 236.363 1.393 10 0 BDAEHO Cc1nccn1CC[N@@H+]1[C@@H](CN)CCC[C@@H]1C ZINC000104159232 180256794 /nfs/dbraw/zinc/25/67/94/180256794.db2.gz AVSFVSXBAUYPKX-WCQYABFASA-N 1 3 236.363 1.393 10 0 BDAEHO CN(C[C@H]1CC[NH2+]C1)[C@H]1CCSC1 ZINC000250454026 350881164 /nfs/dbraw/zinc/88/11/64/350881164.db2.gz WDEVTXFLMOBNIE-UWVGGRQHSA-N 1 3 200.351 1.033 10 0 BDAEHO CC1(C)SC[C@H]1N1CC[C@H](C[NH3+])C1 ZINC000307168861 351542452 /nfs/dbraw/zinc/54/24/52/351542452.db2.gz WFLZNZDRCXMQCV-RKDXNWHRSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[N@H+](C)CC[C@H]1NC1CSC1 ZINC000307296363 351905747 /nfs/dbraw/zinc/90/57/47/351905747.db2.gz QSAJMHOYONZMBX-PSASIEDQSA-N 1 3 200.351 1.032 10 0 BDAEHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC1CSC1 ZINC000307296363 351905748 /nfs/dbraw/zinc/90/57/48/351905748.db2.gz QSAJMHOYONZMBX-PSASIEDQSA-N 1 3 200.351 1.032 10 0 BDAEHO C[C@@H](C[NH2+]CC(C)(C)N)NC(=O)OC(C)(C)C ZINC000307323058 352018549 /nfs/dbraw/zinc/01/85/49/352018549.db2.gz AJBXWJSASBSEMQ-VIFPVBQESA-N 1 3 245.367 1.227 10 0 BDAEHO CC[C@@H]1C[N@@H+]([C@@H](C)[C@H](C)N)CCCO1 ZINC000300911714 363120848 /nfs/dbraw/zinc/12/08/48/363120848.db2.gz OYFZTHZLWJZPHB-GARJFASQSA-N 1 3 200.326 1.223 10 0 BDAEHO CC[C@@H]1C[N@H+]([C@@H](C)[C@H](C)N)CCCO1 ZINC000300911714 363120852 /nfs/dbraw/zinc/12/08/52/363120852.db2.gz OYFZTHZLWJZPHB-GARJFASQSA-N 1 3 200.326 1.223 10 0 BDAEHO CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(C)C1 ZINC000053245400 188300856 /nfs/dbraw/zinc/30/08/56/188300856.db2.gz MAFZPBWXXHMEKU-CHWSQXEVSA-N 1 3 225.380 1.012 10 0 BDAEHO CC(C)[C@@H]1CC[C@H](N)[C@H]([N@@H+]2CCCOCC2)C1 ZINC000061917542 188302272 /nfs/dbraw/zinc/30/22/72/188302272.db2.gz CMYZVSWMWOXTGM-HZSPNIEDSA-N 1 3 240.391 1.861 10 0 BDAEHO CC(C)[C@@H]1CC[C@H](N)[C@H]([N@H+]2CCCOCC2)C1 ZINC000061917542 188302274 /nfs/dbraw/zinc/30/22/74/188302274.db2.gz CMYZVSWMWOXTGM-HZSPNIEDSA-N 1 3 240.391 1.861 10 0 BDAEHO CC(C)[C@@H]1CNC(C)(C)C[N@@H+]1CCCN(C)C ZINC000062620549 188303316 /nfs/dbraw/zinc/30/33/16/188303316.db2.gz ROUJPGRJFKHMPY-ZDUSSCGKSA-N 1 3 241.423 1.647 10 0 BDAEHO CC(C)[C@@H]1CNC(C)(C)C[N@H+]1CCCN(C)C ZINC000062620549 188303317 /nfs/dbraw/zinc/30/33/17/188303317.db2.gz ROUJPGRJFKHMPY-ZDUSSCGKSA-N 1 3 241.423 1.647 10 0 BDAEHO COc1ccc(C[C@H](C)[N@@H+]2CCCNCC2)cc1 ZINC000071169795 188305651 /nfs/dbraw/zinc/30/56/51/188305651.db2.gz OQLYXCLVXNHTOM-ZDUSSCGKSA-N 1 3 248.370 1.922 10 0 BDAEHO COc1ccc(C[C@H](C)[N@H+]2CCCNCC2)cc1 ZINC000071169795 188305653 /nfs/dbraw/zinc/30/56/53/188305653.db2.gz OQLYXCLVXNHTOM-ZDUSSCGKSA-N 1 3 248.370 1.922 10 0 BDAEHO COC(C)(C)[C@@H](C)[N@@H+]1CCC[C@@H](N)C1 ZINC000301029255 363345012 /nfs/dbraw/zinc/34/50/12/363345012.db2.gz UCSZHXHGPPJPCS-NXEZZACHSA-N 1 3 200.326 1.223 10 0 BDAEHO COC(C)(C)[C@@H](C)[N@H+]1CCC[C@@H](N)C1 ZINC000301029255 363345015 /nfs/dbraw/zinc/34/50/15/363345015.db2.gz UCSZHXHGPPJPCS-NXEZZACHSA-N 1 3 200.326 1.223 10 0 BDAEHO C[C@H](CCCO)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000582175387 355577976 /nfs/dbraw/zinc/57/79/76/355577976.db2.gz CURQQHGGNRPGRM-FRRDWIJNSA-N 1 3 228.380 1.373 10 0 BDAEHO COCCNC[C@@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675051076 538473557 /nfs/dbraw/zinc/47/35/57/538473557.db2.gz KGACHSMWHHYVLL-KGLIPLIRSA-N 1 3 240.391 1.638 10 0 BDAEHO C[C@@H]1CCCN(Cc2c(C[NH3+])cnn2C)[C@H]1C ZINC000675056006 538477249 /nfs/dbraw/zinc/47/72/49/538477249.db2.gz HTNHSNVMARDLHZ-MNOVXSKESA-N 1 3 236.363 1.499 10 0 BDAEHO [NH3+][C@H]1C=C(CCc2ccccc2)CNC1 ZINC000675078181 538515198 /nfs/dbraw/zinc/51/51/98/538515198.db2.gz NABRMJPPRVYESH-ZDUSSCGKSA-N 1 3 202.301 1.476 10 0 BDAEHO C[C@]1(O)CCCN(CCC[NH+]2CCCC2)CC1 ZINC000230379320 357532327 /nfs/dbraw/zinc/53/23/27/357532327.db2.gz UFNIUXWFBLWGQR-AWEZNQCLSA-N 1 3 240.391 1.709 10 0 BDAEHO CCOc1ccc([C@H]2CCNC[C@@H]2[NH3+])cc1 ZINC000685948587 538891281 /nfs/dbraw/zinc/89/12/81/538891281.db2.gz QRAFEXXOVXNDQE-OLZOCXBDSA-N 1 3 220.316 1.490 10 0 BDAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@@H+]1CCCSCC1 ZINC000685950547 538893784 /nfs/dbraw/zinc/89/37/84/538893784.db2.gz BARYPZGQTZXZRA-GDNZZTSVSA-N 1 3 228.405 1.669 10 0 BDAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@H+]1CCCSCC1 ZINC000685950547 538893786 /nfs/dbraw/zinc/89/37/86/538893786.db2.gz BARYPZGQTZXZRA-GDNZZTSVSA-N 1 3 228.405 1.669 10 0 BDAEHO C[C@H]1CNC[C@H](C)C1[NH+]1CCSCC1 ZINC000685950669 538893921 /nfs/dbraw/zinc/89/39/21/538893921.db2.gz DDSFDTDNQPYURX-UWVGGRQHSA-N 1 3 214.378 1.279 10 0 BDAEHO C[C@@H]1CCC[N@@H+](C2[C@H](C)CNC[C@H]2C)C1 ZINC000685950934 538894834 /nfs/dbraw/zinc/89/48/34/538894834.db2.gz IPOPEUXOCIBEIZ-IJLUTSLNSA-N 1 3 210.365 1.962 10 0 BDAEHO C[C@@H]1CCC[N@H+](C2[C@H](C)CNC[C@H]2C)C1 ZINC000685950934 538894835 /nfs/dbraw/zinc/89/48/35/538894835.db2.gz IPOPEUXOCIBEIZ-IJLUTSLNSA-N 1 3 210.365 1.962 10 0 BDAEHO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[C@H]1CCCNC1 ZINC000584768890 358171406 /nfs/dbraw/zinc/17/14/06/358171406.db2.gz JQBZQGYSUPMWBA-LPWJVIDDSA-N 1 3 240.391 1.920 10 0 BDAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ccncc1 ZINC000040750510 259487220 /nfs/dbraw/zinc/48/72/20/259487220.db2.gz NIQFQBPVLAYLIK-CLYYMRHHSA-N 1 3 203.289 1.540 10 0 BDAEHO C[C@@H](N)[C@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000306312508 359593032 /nfs/dbraw/zinc/59/30/32/359593032.db2.gz KUOLXSMOGGCWLM-BDAKNGLRSA-N 1 3 202.367 1.550 10 0 BDAEHO C[C@@H](N)[C@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000306312508 359593037 /nfs/dbraw/zinc/59/30/37/359593037.db2.gz KUOLXSMOGGCWLM-BDAKNGLRSA-N 1 3 202.367 1.550 10 0 BDAEHO CCC[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)OCC ZINC000629515053 361113159 /nfs/dbraw/zinc/11/31/59/361113159.db2.gz PZZBKGYBMCVHCU-FRRDWIJNSA-N 1 3 228.380 1.779 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000379723341 361359788 /nfs/dbraw/zinc/35/97/88/361359788.db2.gz NHWIOYURZJFRKO-JHJVBQTASA-N 1 3 240.391 1.610 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000379723341 361359792 /nfs/dbraw/zinc/35/97/92/361359792.db2.gz NHWIOYURZJFRKO-JHJVBQTASA-N 1 3 240.391 1.610 10 0 BDAEHO C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000629545223 361425689 /nfs/dbraw/zinc/42/56/89/361425689.db2.gz COBQPDKEVLJWNU-AHLTXXRQSA-N 1 3 238.375 1.532 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1CCCNC1 ZINC000629545223 361425691 /nfs/dbraw/zinc/42/56/91/361425691.db2.gz COBQPDKEVLJWNU-AHLTXXRQSA-N 1 3 238.375 1.532 10 0 BDAEHO CO[C@H]1C[C@@H](C[NH2+][C@H](C)[C@@H]2CCCNC2)C1 ZINC000629554496 361443087 /nfs/dbraw/zinc/44/30/87/361443087.db2.gz JXSCNSVDUKJACO-LPWJVIDDSA-N 1 3 226.364 1.389 10 0 BDAEHO CO[C@H]1C[C@@H](C[NH2+][C@H](C)[C@H]2CCCNC2)C1 ZINC000629554497 361443218 /nfs/dbraw/zinc/44/32/18/361443218.db2.gz JXSCNSVDUKJACO-NDBYEHHHSA-N 1 3 226.364 1.389 10 0 BDAEHO CCCCCN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630355354 364077449 /nfs/dbraw/zinc/07/74/49/364077449.db2.gz GWZTWIUZAFNFIZ-RYUDHWBXSA-N 1 3 214.353 1.615 10 0 BDAEHO CO[C@@H]1CN(C[C@@H]2C[C@H]2C)[C@](C)(C[NH3+])C1 ZINC000630370337 364087320 /nfs/dbraw/zinc/08/73/20/364087320.db2.gz ZGPPRPCOVIKDLK-RHYQMDGZSA-N 1 3 212.337 1.081 10 0 BDAEHO NCC1(C[N@@H+]2CCC[C@H]2CO)CCCCC1 ZINC000051254851 181358961 /nfs/dbraw/zinc/35/89/61/181358961.db2.gz URVZWCHTNOMSML-LBPRGKRZSA-N 1 3 226.364 1.352 10 0 BDAEHO NCC1(C[N@H+]2CCC[C@H]2CO)CCCCC1 ZINC000051254851 181358964 /nfs/dbraw/zinc/35/89/64/181358964.db2.gz URVZWCHTNOMSML-LBPRGKRZSA-N 1 3 226.364 1.352 10 0 BDAEHO [NH3+]CC1(CN2CCCOCC2)CCCCC1 ZINC000061934570 181358877 /nfs/dbraw/zinc/35/88/77/181358877.db2.gz AGBNULPAFFNDCZ-UHFFFAOYSA-N 1 3 226.364 1.618 10 0 BDAEHO NCC1(C[N@@H+]2CCCOCC2)CCCCC1 ZINC000061934570 181358879 /nfs/dbraw/zinc/35/88/79/181358879.db2.gz AGBNULPAFFNDCZ-UHFFFAOYSA-N 1 3 226.364 1.618 10 0 BDAEHO NCC1(C[N@H+]2CCCOCC2)CCCCC1 ZINC000061934570 181358882 /nfs/dbraw/zinc/35/88/82/181358882.db2.gz AGBNULPAFFNDCZ-UHFFFAOYSA-N 1 3 226.364 1.618 10 0 BDAEHO C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000581005731 367231378 /nfs/dbraw/zinc/23/13/78/367231378.db2.gz DWBFIUFFKWRDOI-RWMBFGLXSA-N 1 3 239.407 1.447 10 0 BDAEHO OC[C@H]([NH2+][C@H]1CCCNCC1)C1CCCC1 ZINC000385975956 367891288 /nfs/dbraw/zinc/89/12/88/367891288.db2.gz HKALCONKCSKFIY-STQMWFEESA-N 1 3 226.364 1.269 10 0 BDAEHO OC[C@H](N[C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000385975956 367891291 /nfs/dbraw/zinc/89/12/91/367891291.db2.gz HKALCONKCSKFIY-STQMWFEESA-N 1 3 226.364 1.269 10 0 BDAEHO CC(C)C1([NH+]2CCNCC2)CCN(C)CC1 ZINC000202392379 368946126 /nfs/dbraw/zinc/94/61/26/368946126.db2.gz VKEHAUFZBPQYGZ-UHFFFAOYSA-N 1 3 225.380 1.012 10 0 BDAEHO C[C@@H](c1ccccn1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838150 369118900 /nfs/dbraw/zinc/11/89/00/369118900.db2.gz JOGYLPHSCQKIFH-WOPDTQHZSA-N 1 3 219.332 1.669 10 0 BDAEHO C[C@@H]1CN(CCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000631839841 369185920 /nfs/dbraw/zinc/18/59/20/369185920.db2.gz LPPJVGODMSWIEA-KGLIPLIRSA-N 1 3 248.370 1.982 10 0 BDAEHO C[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1CN ZINC000631839841 369185924 /nfs/dbraw/zinc/18/59/24/369185924.db2.gz LPPJVGODMSWIEA-KGLIPLIRSA-N 1 3 248.370 1.982 10 0 BDAEHO C[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1CN ZINC000631839841 369185928 /nfs/dbraw/zinc/18/59/28/369185928.db2.gz LPPJVGODMSWIEA-KGLIPLIRSA-N 1 3 248.370 1.982 10 0 BDAEHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCNC1 ZINC000569228115 326396078 /nfs/dbraw/zinc/39/60/78/326396078.db2.gz DOPXBHVXYHATOM-REWJHTLYSA-N 1 3 240.391 1.515 10 0 BDAEHO CC[N@@H+](Cc1ccccc1)C[C@H](CN)OC ZINC000227421792 371860575 /nfs/dbraw/zinc/86/05/75/371860575.db2.gz JQCJCBTYUSVZHK-ZDUSSCGKSA-N 1 3 222.332 1.482 10 0 BDAEHO CC[N@H+](Cc1ccccc1)C[C@H](CN)OC ZINC000227421792 371860582 /nfs/dbraw/zinc/86/05/82/371860582.db2.gz JQCJCBTYUSVZHK-ZDUSSCGKSA-N 1 3 222.332 1.482 10 0 BDAEHO [NH3+]C[C@@H]1CC[C@H]1N1CCCSCC1 ZINC000217688073 371998217 /nfs/dbraw/zinc/99/82/17/371998217.db2.gz FRKXZCORHIIMNM-VHSXEESVSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@@H]1CC[C@H]1[N@@H+]1CCCSCC1 ZINC000217688073 371998224 /nfs/dbraw/zinc/99/82/24/371998224.db2.gz FRKXZCORHIIMNM-VHSXEESVSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@@H]1CC[C@H]1[N@H+]1CCCSCC1 ZINC000217688073 371998227 /nfs/dbraw/zinc/99/82/27/371998227.db2.gz FRKXZCORHIIMNM-VHSXEESVSA-N 1 3 200.351 1.163 10 0 BDAEHO C[C@H]1C[N@H+](CCc2ccccc2)C[C@@H]1CN ZINC000631836887 372625580 /nfs/dbraw/zinc/62/55/80/372625580.db2.gz IPJVBNVXVQCSHA-JSGCOSHPSA-N 1 3 218.344 1.756 10 0 BDAEHO C[C@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1CN ZINC000631836887 372625584 /nfs/dbraw/zinc/62/55/84/372625584.db2.gz IPJVBNVXVQCSHA-JSGCOSHPSA-N 1 3 218.344 1.756 10 0 BDAEHO C[C@H]1CN(CCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631836887 372625587 /nfs/dbraw/zinc/62/55/87/372625587.db2.gz IPJVBNVXVQCSHA-JSGCOSHPSA-N 1 3 218.344 1.756 10 0 BDAEHO OCCNCCC[NH2+]C/C=C/c1ccccc1 ZINC000013732669 183078089 /nfs/dbraw/zinc/07/80/89/183078089.db2.gz WQBQTGBGNCDCER-XBXARRHUSA-N 1 3 234.343 1.261 10 0 BDAEHO CCCN1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000022177731 169203315 /nfs/dbraw/zinc/20/33/15/169203315.db2.gz KFOZTLKKKYJJPB-UHFFFAOYSA-N 1 3 247.386 1.673 10 0 BDAEHO CCCN1CCN([C@](C)(CC)C[NH3+])CC1 ZINC000019431745 169204384 /nfs/dbraw/zinc/20/43/84/169204384.db2.gz FIYQBCHIOXXFPE-GFCCVEGCSA-N 1 3 213.369 1.141 10 0 BDAEHO C[C@H](NC[C@@H]1Cc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400419764 384262212 /nfs/dbraw/zinc/26/22/12/384262212.db2.gz WOOKRZCMNBKLTJ-UBHSHLNASA-N 1 3 230.355 1.914 10 0 BDAEHO Clc1ccc(CNCC2CC[NH2+]CC2)nn1 ZINC000095069849 384335401 /nfs/dbraw/zinc/33/54/01/384335401.db2.gz DTDQPQQVMMBUNN-UHFFFAOYSA-N 1 3 240.738 1.219 10 0 BDAEHO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1N)c1ccc[nH]1 ZINC000095068307 384329286 /nfs/dbraw/zinc/32/92/86/384329286.db2.gz BNGCEMOQZAFMLM-SCVCMEIPSA-N 1 3 207.321 1.935 10 0 BDAEHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N)c1ccc[nH]1 ZINC000095068306 384330892 /nfs/dbraw/zinc/33/08/92/384330892.db2.gz BNGCEMOQZAFMLM-NHCYSSNCSA-N 1 3 207.321 1.935 10 0 BDAEHO CCSCCC[NH2+][C@H]1CCCNCC1 ZINC000300980293 384763143 /nfs/dbraw/zinc/76/31/43/384763143.db2.gz UDKMOGLCQVRIJL-NSHDSACASA-N 1 3 216.394 1.861 10 0 BDAEHO N[C@H](CC[NH3+])c1ccc(Br)cc1 ZINC000259491495 385487041 /nfs/dbraw/zinc/48/70/41/385487041.db2.gz SZXJJTQKQFOFMN-SECBINFHSA-N 1 3 229.121 1.798 10 0 BDAEHO C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1CCSC1 ZINC000575588320 386307548 /nfs/dbraw/zinc/30/75/48/386307548.db2.gz AJDDXYGNDHXMGQ-UTLUCORTSA-N 1 3 200.351 1.161 10 0 BDAEHO C(N[C@H]1CCC12CCCC2)[C@H]1CC[NH2+]C1 ZINC000335497782 386624146 /nfs/dbraw/zinc/62/41/46/386624146.db2.gz ZDLHTBXYWYHHDF-RYUDHWBXSA-N 1 3 208.349 1.908 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@H]1CC[C@H]([NH3+])C1 ZINC000307587565 386741311 /nfs/dbraw/zinc/74/13/11/386741311.db2.gz UNPIRRPEEONHLY-CIUDSAMLSA-N 1 3 200.351 1.350 10 0 BDAEHO N[C@H](CCC[NH3+])c1cc(F)c(F)cc1F ZINC000575438503 387131010 /nfs/dbraw/zinc/13/10/10/387131010.db2.gz JYKGBMVZKYKXKG-SNVBAGLBSA-N 1 3 218.222 1.843 10 0 BDAEHO COc1cccc(F)c1[C@@H](N)CCCC[NH3+] ZINC000575438158 387105302 /nfs/dbraw/zinc/10/53/02/387105302.db2.gz DJMZHLVOBGAEFP-JTQLQIEISA-N 1 3 226.295 1.963 10 0 BDAEHO N[C@@H](CCC[NH3+])c1c(F)c(F)cc(F)c1F ZINC000575438064 387113071 /nfs/dbraw/zinc/11/30/71/387113071.db2.gz CNFRUTLSILBXPH-ZETCQYMHSA-N 1 3 236.212 1.982 10 0 BDAEHO COc1cccc(OC)c1[C@H](N)CCC[NH3+] ZINC000575439383 387123092 /nfs/dbraw/zinc/12/30/92/387123092.db2.gz HWZFEXOTVXORLW-SECBINFHSA-N 1 3 224.304 1.443 10 0 BDAEHO C[C@@H]1CSC[C@@H]1N1C[C@H]([NH3+])C[C@@H]1C ZINC000575590173 387204043 /nfs/dbraw/zinc/20/40/43/387204043.db2.gz GIUXMMKZRFVOAA-RGOKHQFPSA-N 1 3 200.351 1.159 10 0 BDAEHO CN(CCC[NH+]1CCCC1)[C@H]1CCC[C@@H]1O ZINC000352668005 387428903 /nfs/dbraw/zinc/42/89/03/387428903.db2.gz OVTQRPRNFKMBHH-STQMWFEESA-N 1 3 226.364 1.318 10 0 BDAEHO CC(C)(C)[C@@H](O)CN[C@H]1CCC[NH2+]CC1 ZINC000324619849 387470176 /nfs/dbraw/zinc/47/01/76/387470176.db2.gz PLDOJZMXNANDOL-QWRGUYRKSA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCCNCC1 ZINC000324619849 387470182 /nfs/dbraw/zinc/47/01/82/387470182.db2.gz PLDOJZMXNANDOL-QWRGUYRKSA-N 1 3 214.353 1.125 10 0 BDAEHO O[C@H]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422786760 387687583 /nfs/dbraw/zinc/68/75/83/387687583.db2.gz QQZJEJWYXIJEDV-MWWBDVBNSA-N 1 3 238.375 1.410 10 0 BDAEHO C[C@@H](N[C@@H](C)COCc1ccccc1)C1C[NH2+]C1 ZINC000422795537 387696733 /nfs/dbraw/zinc/69/67/33/387696733.db2.gz VWZYBBOFKNPUQY-QWHCGFSZSA-N 1 3 248.370 1.789 10 0 BDAEHO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)C1CNC1 ZINC000422795537 387696737 /nfs/dbraw/zinc/69/67/37/387696737.db2.gz VWZYBBOFKNPUQY-QWHCGFSZSA-N 1 3 248.370 1.789 10 0 BDAEHO Cc1cccnc1CCCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423158962 387939491 /nfs/dbraw/zinc/93/94/91/387939491.db2.gz XOMZWGYBFOPDQX-UONOGXRCSA-N 1 3 247.386 1.910 10 0 BDAEHO CCSCCN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261527748 135152445 /nfs/dbraw/zinc/15/24/45/135152445.db2.gz GRYRXQDLPHDYPW-SNVBAGLBSA-N 1 3 216.394 1.799 10 0 BDAEHO CC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N ZINC000059394563 388396092 /nfs/dbraw/zinc/39/60/92/388396092.db2.gz YAXQFMWHBFCHMM-OLZOCXBDSA-N 1 3 204.317 1.856 10 0 BDAEHO CC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N ZINC000059394563 388396094 /nfs/dbraw/zinc/39/60/94/388396094.db2.gz YAXQFMWHBFCHMM-OLZOCXBDSA-N 1 3 204.317 1.856 10 0 BDAEHO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000307513248 388424638 /nfs/dbraw/zinc/42/46/38/388424638.db2.gz YSOWIHGUSLBKBL-MXWKQRLJSA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@@H]1CSC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000307513248 388424640 /nfs/dbraw/zinc/42/46/40/388424640.db2.gz YSOWIHGUSLBKBL-MXWKQRLJSA-N 1 3 214.378 1.470 10 0 BDAEHO COC[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400415963 388425930 /nfs/dbraw/zinc/42/59/30/388425930.db2.gz VGEKJLCALVIKNQ-TUAOUCFPSA-N 1 3 214.353 1.245 10 0 BDAEHO C[C@H](N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000530224847 388634129 /nfs/dbraw/zinc/63/41/29/388634129.db2.gz MQHYSVZIJPECBY-QPHKQPEJSA-N 1 3 226.364 1.386 10 0 BDAEHO C[C@@H](N[C@@H]1CS[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000306833289 533529989 /nfs/dbraw/zinc/52/99/89/533529989.db2.gz NQJCXKUWNUSONK-DBIOUOCHSA-N 1 3 214.378 1.468 10 0 BDAEHO CSC1(CN[C@@H](C)[C@H]2CC[NH2+]C2)CCC1 ZINC000400345120 533510790 /nfs/dbraw/zinc/51/07/90/533510790.db2.gz IERKTNLRDVTPKM-QWRGUYRKSA-N 1 3 228.405 1.860 10 0 BDAEHO CCN1CCN(c2ccccc2C[NH2+]C)CC1 ZINC000034824233 132337025 /nfs/dbraw/zinc/33/70/25/132337025.db2.gz QJFUIHUBGBFSQY-UHFFFAOYSA-N 1 3 233.359 1.548 10 0 BDAEHO C[NH+](C)CC1CCN(c2ncccc2CN)CC1 ZINC000042390696 132351235 /nfs/dbraw/zinc/35/12/35/132351235.db2.gz JHJAFGDZCZQQOZ-UHFFFAOYSA-N 1 3 248.374 1.318 10 0 BDAEHO COCC(C)(C)C[N@@H+]1CC[C@H](N)C(C)(C)C1 ZINC000261968488 135266773 /nfs/dbraw/zinc/26/67/73/135266773.db2.gz QCMSBHVYWQTVSQ-NSHDSACASA-N 1 3 228.380 1.718 10 0 BDAEHO COCC(C)(C)C[N@H+]1CC[C@H](N)C(C)(C)C1 ZINC000261968488 135266775 /nfs/dbraw/zinc/26/67/75/135266775.db2.gz QCMSBHVYWQTVSQ-NSHDSACASA-N 1 3 228.380 1.718 10 0 BDAEHO CC1(C)CCC(NC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000262181450 135284503 /nfs/dbraw/zinc/28/45/03/135284503.db2.gz WVHWGTSEEHEPBB-ZYHUDNBSSA-N 1 3 226.364 1.125 10 0 BDAEHO CC1(C)CCC([NH2+]C[C@H]2CNC[C@H]2O)CC1 ZINC000262181450 135284504 /nfs/dbraw/zinc/28/45/04/135284504.db2.gz WVHWGTSEEHEPBB-ZYHUDNBSSA-N 1 3 226.364 1.125 10 0 BDAEHO CCC(CC)(CC)CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263214477 135340394 /nfs/dbraw/zinc/34/03/94/135340394.db2.gz KSDZZAWZWFKCBD-NWDGAFQWSA-N 1 3 228.380 1.373 10 0 BDAEHO CCC(CC)(CC)C[NH2+]C[C@@H]1CNC[C@H]1O ZINC000263214477 135340395 /nfs/dbraw/zinc/34/03/95/135340395.db2.gz KSDZZAWZWFKCBD-NWDGAFQWSA-N 1 3 228.380 1.373 10 0 BDAEHO C(C1CCOCC1)[N@H+]1C[C@@H]2NCCC[C@H]2C1 ZINC000299892950 135381176 /nfs/dbraw/zinc/38/11/76/135381176.db2.gz FYQDJCQDTVUZDS-STQMWFEESA-N 1 3 224.348 1.097 10 0 BDAEHO C(C1CCOCC1)[N@@H+]1C[C@@H]2NCCC[C@H]2C1 ZINC000299892950 135381177 /nfs/dbraw/zinc/38/11/77/135381177.db2.gz FYQDJCQDTVUZDS-STQMWFEESA-N 1 3 224.348 1.097 10 0 BDAEHO NCC[N@@H+]1CCC[C@@H](c2ccnc(N)c2)CC1 ZINC000616600449 411287824 /nfs/dbraw/zinc/28/78/24/411287824.db2.gz FTQAQALIRRWONR-LLVKDONJSA-N 1 3 234.347 1.192 10 0 BDAEHO NCC[N@H+]1CCC[C@@H](c2ccnc(N)c2)CC1 ZINC000616600449 411287827 /nfs/dbraw/zinc/28/78/27/411287827.db2.gz FTQAQALIRRWONR-LLVKDONJSA-N 1 3 234.347 1.192 10 0 BDAEHO C[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000656782773 411360364 /nfs/dbraw/zinc/36/03/64/411360364.db2.gz JPNAMBMQTFXTGT-JHJVBQTASA-N 1 3 233.359 1.773 10 0 BDAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2O)C1 ZINC000037894007 170016820 /nfs/dbraw/zinc/01/68/20/170016820.db2.gz MEAVUXUYKIPSPW-MCIONIFRSA-N 1 3 240.391 1.611 10 0 BDAEHO CC[NH2+]CC(C)(C)CN1CCCC[C@H]1CCO ZINC000051213537 170110797 /nfs/dbraw/zinc/11/07/97/170110797.db2.gz SHZIGSWMCGMBJL-ZDUSSCGKSA-N 1 3 242.407 1.859 10 0 BDAEHO CC[NH2+]Cc1cc(CN(C)C)ccc1OC ZINC000045206408 170125218 /nfs/dbraw/zinc/12/52/18/170125218.db2.gz IMHMNZDAJDKQJB-UHFFFAOYSA-N 1 3 222.332 1.866 10 0 BDAEHO CC[NH2+]Cc1cnc(CCN(C)C)s1 ZINC000062201734 170131096 /nfs/dbraw/zinc/13/10/96/170131096.db2.gz GNJGODSWOLYOAA-UHFFFAOYSA-N 1 3 213.350 1.357 10 0 BDAEHO CC[NH2+][C@H](CC)[C@@H](C)N1CCC[C@@H]1CN(C)C ZINC000061643570 170160644 /nfs/dbraw/zinc/16/06/44/170160644.db2.gz HBYCKMVNIFEMRE-MGPQQGTHSA-N 1 3 241.423 1.789 10 0 BDAEHO CC[NH2+][C@H]1CCC[C@@H]1N1CCCN(C)CC1 ZINC000043818333 170166948 /nfs/dbraw/zinc/16/69/48/170166948.db2.gz HLTLZXRCLWOTFQ-STQMWFEESA-N 1 3 225.380 1.155 10 0 BDAEHO CCOCCC[NH2+]C[C@@H]1CCN(CC)C1 ZINC000076458263 170380255 /nfs/dbraw/zinc/38/02/55/170380255.db2.gz ZZDNHYOTGNMYNA-LBPRGKRZSA-N 1 3 214.353 1.344 10 0 BDAEHO CCOCCC[NH2+]C[C@H]1CCN(CC)C1 ZINC000076458258 170380279 /nfs/dbraw/zinc/38/02/79/170380279.db2.gz ZZDNHYOTGNMYNA-GFCCVEGCSA-N 1 3 214.353 1.344 10 0 BDAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([NH+]2CCC(O)CC2)C1 ZINC000037157702 171041165 /nfs/dbraw/zinc/04/11/65/171041165.db2.gz GISKKBNYFPPSNG-MBNYWOFBSA-N 1 3 240.391 1.597 10 0 BDAEHO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](N2CCC(O)CC2)C1 ZINC000037157702 171041166 /nfs/dbraw/zinc/04/11/66/171041166.db2.gz GISKKBNYFPPSNG-MBNYWOFBSA-N 1 3 240.391 1.597 10 0 BDAEHO CC[C@H](C)N1CCN(CCCC[C@H](C)[NH3+])CC1 ZINC000055065167 171318766 /nfs/dbraw/zinc/31/87/66/171318766.db2.gz SCOHUFRNHAKTAM-KBPBESRZSA-N 1 3 241.423 1.920 10 0 BDAEHO CC[C@H](C)[C@@H](CN[C@@H]1CCC[NH2+]CC1)OC ZINC000362975362 171369073 /nfs/dbraw/zinc/36/90/73/171369073.db2.gz FCYDMKDRLFAJPW-YNEHKIRRSA-N 1 3 228.380 1.779 10 0 BDAEHO CC[C@H](C)[C@H](CN[C@@H]1CCC[NH2+]CC1)OC ZINC000362975361 171393637 /nfs/dbraw/zinc/39/36/37/171393637.db2.gz FCYDMKDRLFAJPW-XQQFMLRXSA-N 1 3 228.380 1.779 10 0 BDAEHO C[C@@H]1CCC[C@@H](CN[C@H]2CCC[NH2+]CC2)O1 ZINC000665264546 412207663 /nfs/dbraw/zinc/20/76/63/412207663.db2.gz BJYPFZMFWYWVCK-AGIUHOORSA-N 1 3 226.364 1.676 10 0 BDAEHO C[C@H](NC[C@H]1CCC[C@@H](C)O1)[C@@H]1CCC[NH2+]C1 ZINC000665265029 412209190 /nfs/dbraw/zinc/20/91/90/412209190.db2.gz OANJAPWRFZWQRV-XJFOESAGSA-N 1 3 240.391 1.922 10 0 BDAEHO C[NH+](C)C1CCN([C@H](CN)c2cccnc2)CC1 ZINC000036191493 172407149 /nfs/dbraw/zinc/40/71/49/172407149.db2.gz IPEZJSKAKSAAMD-CQSZACIVSA-N 1 3 248.374 1.107 10 0 BDAEHO CN1CCCC[C@@H]1CNc1cc[nH+]cc1N ZINC000044563550 173006111 /nfs/dbraw/zinc/00/61/11/173006111.db2.gz CSQHWYGDTNEFGX-SNVBAGLBSA-N 1 3 220.320 1.560 10 0 BDAEHO CN(C[C@@H]1CCCC[NH2+]1)[C@H]1CCCN(C)C1 ZINC000053245395 173043733 /nfs/dbraw/zinc/04/37/33/173043733.db2.gz MNWWOGQJQFRRRW-STQMWFEESA-N 1 3 225.380 1.155 10 0 BDAEHO CN1CC[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000037484652 173146670 /nfs/dbraw/zinc/14/66/70/173146670.db2.gz ZTRKECGWLCFGGM-GFCCVEGCSA-N 1 3 205.305 1.123 10 0 BDAEHO CN1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000037484644 173147116 /nfs/dbraw/zinc/14/71/16/173147116.db2.gz ANVSYDBDWAVSLZ-GFCCVEGCSA-N 1 3 205.305 1.123 10 0 BDAEHO C[N@@H+]1CC[C@H](CNCc2ccccc2)C1 ZINC000037484742 173147509 /nfs/dbraw/zinc/14/75/09/173147509.db2.gz ZNNMCNXXAYLCIN-CYBMUJFWSA-N 1 3 204.317 1.728 10 0 BDAEHO C[N@H+]1CC[C@H](CNCc2ccccc2)C1 ZINC000037484742 173147511 /nfs/dbraw/zinc/14/75/11/173147511.db2.gz ZNNMCNXXAYLCIN-CYBMUJFWSA-N 1 3 204.317 1.728 10 0 BDAEHO CN1CC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000037484742 173147512 /nfs/dbraw/zinc/14/75/12/173147512.db2.gz ZNNMCNXXAYLCIN-CYBMUJFWSA-N 1 3 204.317 1.728 10 0 BDAEHO C[NH2+]C[C@@]1(CN(C)CC2CCC2)CCCOC1 ZINC000104318769 173372944 /nfs/dbraw/zinc/37/29/44/173372944.db2.gz CQRPBVGKBURQCV-CQSZACIVSA-N 1 3 240.391 1.735 10 0 BDAEHO CNC[C@@]1(C[N@H+](C)CC2CCC2)CCCOC1 ZINC000104318769 173372945 /nfs/dbraw/zinc/37/29/45/173372945.db2.gz CQRPBVGKBURQCV-CQSZACIVSA-N 1 3 240.391 1.735 10 0 BDAEHO CNC[C@@]1(C[N@@H+](C)CC2CCC2)CCCOC1 ZINC000104318769 173372947 /nfs/dbraw/zinc/37/29/47/173372947.db2.gz CQRPBVGKBURQCV-CQSZACIVSA-N 1 3 240.391 1.735 10 0 BDAEHO C[NH2+]Cc1cc(CN2CCCC2)oc1C ZINC000052377374 173386735 /nfs/dbraw/zinc/38/67/35/173386735.db2.gz POZVIRNIRWRJON-UHFFFAOYSA-N 1 3 208.305 1.903 10 0 BDAEHO C[NH2+]Cc1ccc(OC)c(OCCN(C)C)c1 ZINC000019777056 173389020 /nfs/dbraw/zinc/38/90/20/173389020.db2.gz LMORXZDTIHPOFX-UHFFFAOYSA-N 1 3 238.331 1.355 10 0 BDAEHO CNCc1ccoc1COCC[NH+](C)C ZINC000052669532 173391620 /nfs/dbraw/zinc/39/16/20/173391620.db2.gz WJWQBIUBWZPUTD-UHFFFAOYSA-N 1 3 212.293 1.077 10 0 BDAEHO COC1CCN(C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000053858054 174028136 /nfs/dbraw/zinc/02/81/36/174028136.db2.gz VGTQVAWQOUOVBY-WCQYABFASA-N 1 3 226.364 1.615 10 0 BDAEHO COC1CC[NH+](C[C@H](N)C(C)C)CC1 ZINC000037266510 174028371 /nfs/dbraw/zinc/02/83/71/174028371.db2.gz VQJDCTWNZFKSTP-NSHDSACASA-N 1 3 200.326 1.081 10 0 BDAEHO COCCC[NH+]1C[C@H](C)CNC[C@@H](C)C1 ZINC000049665817 174235380 /nfs/dbraw/zinc/23/53/80/174235380.db2.gz PZSVFGWNMVFQHL-VXGBXAGGSA-N 1 3 214.353 1.200 10 0 BDAEHO COCCCN1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000049665817 174235382 /nfs/dbraw/zinc/23/53/82/174235382.db2.gz PZSVFGWNMVFQHL-VXGBXAGGSA-N 1 3 214.353 1.200 10 0 BDAEHO COCC[N@H+](CC(C)C)C[C@@H](C)CNC1CC1 ZINC000052508460 174287202 /nfs/dbraw/zinc/28/72/02/174287202.db2.gz LFZWXLLFDMHVLE-ZDUSSCGKSA-N 1 3 242.407 1.979 10 0 BDAEHO COCC[N@@H+](CC(C)C)C[C@@H](C)CNC1CC1 ZINC000052508460 174287203 /nfs/dbraw/zinc/28/72/03/174287203.db2.gz LFZWXLLFDMHVLE-ZDUSSCGKSA-N 1 3 242.407 1.979 10 0 BDAEHO COCCN(CC(C)C)C[C@@H](C)C[NH2+]C1CC1 ZINC000052508460 174287204 /nfs/dbraw/zinc/28/72/04/174287204.db2.gz LFZWXLLFDMHVLE-ZDUSSCGKSA-N 1 3 242.407 1.979 10 0 BDAEHO COCCN(Cc1cccc(C[NH3+])c1)C1CC1 ZINC000042517590 174298787 /nfs/dbraw/zinc/29/87/87/174298787.db2.gz SCOQJJPGWJUBGL-UHFFFAOYSA-N 1 3 234.343 1.756 10 0 BDAEHO COCC[N@H+]([C@@H](C)COC)[C@@H]1CCCC[C@@H]1N ZINC000042607148 174302230 /nfs/dbraw/zinc/30/22/30/174302230.db2.gz RPWRTSRMAVMUOO-RWMBFGLXSA-N 1 3 244.379 1.240 10 0 BDAEHO COCC[N@@H+]([C@@H](C)COC)[C@@H]1CCCC[C@@H]1N ZINC000042607148 174302231 /nfs/dbraw/zinc/30/22/31/174302231.db2.gz RPWRTSRMAVMUOO-RWMBFGLXSA-N 1 3 244.379 1.240 10 0 BDAEHO C[C@@H]1CCC[C@](CO)(N2CCC[NH2+]CC2)C1 ZINC000038117167 176151978 /nfs/dbraw/zinc/15/19/78/176151978.db2.gz NDPXRTUBVKDYQV-OLZOCXBDSA-N 1 3 226.364 1.223 10 0 BDAEHO C[C@@H]1CN(CCCCC[NH2+]C2CC2)CCN1C ZINC000104132390 176287499 /nfs/dbraw/zinc/28/74/99/176287499.db2.gz LXGMSUAPHWVTKK-CYBMUJFWSA-N 1 3 239.407 1.545 10 0 BDAEHO C[C@@H]1CNCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000044982862 176324577 /nfs/dbraw/zinc/32/45/77/176324577.db2.gz PSCCUBYPFVEFBF-OLZOCXBDSA-N 1 3 226.364 1.344 10 0 BDAEHO C[C@@H]1CNCCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000044982862 176324578 /nfs/dbraw/zinc/32/45/78/176324578.db2.gz PSCCUBYPFVEFBF-OLZOCXBDSA-N 1 3 226.364 1.344 10 0 BDAEHO C[C@H]1CCN(C[C@@H]2CCCCN2C)CC[NH2+]1 ZINC000044564219 177161824 /nfs/dbraw/zinc/16/18/24/177161824.db2.gz GUNQDNZNWGKPPE-STQMWFEESA-N 1 3 225.380 1.155 10 0 BDAEHO C[C@H]1C[NH+]=C(NC2CCN(C)CC2)S1 ZINC000035295409 177281812 /nfs/dbraw/zinc/28/18/12/177281812.db2.gz SJIASNSIDJVVTQ-QMMMGPOBSA-N 1 3 213.350 1.162 10 0 BDAEHO C[C@H]1COCCN1CC1CCC([NH3+])CC1 ZINC000037482474 177290726 /nfs/dbraw/zinc/29/07/26/177290726.db2.gz PJYNRQKZXFRVQY-UNXYVOJBSA-N 1 3 212.337 1.225 10 0 BDAEHO CO[C@@H]1C[C@H](N[C@@H](C)[C@H]2CC[NH2+]C2)C1(C)C ZINC000400386327 226342430 /nfs/dbraw/zinc/34/24/30/226342430.db2.gz LXNYCUNUFBQHBH-FIQHERPVSA-N 1 3 226.364 1.388 10 0 BDAEHO Cn1cncc1CCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000314898616 487669984 /nfs/dbraw/zinc/66/99/84/487669984.db2.gz NCYHVXMNLDCDRG-UBHSHLNASA-N 1 3 248.374 1.022 10 0 BDAEHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000251089317 487748574 /nfs/dbraw/zinc/74/85/74/487748574.db2.gz IBSRATGDTRWXRI-CYDGBPFRSA-N 1 3 226.364 1.397 10 0 BDAEHO CCN1CCC[C@@H]1CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400591216 529083304 /nfs/dbraw/zinc/08/33/04/529083304.db2.gz UJRHMRDPKHDCKR-RWMBFGLXSA-N 1 3 225.380 1.058 10 0 BDAEHO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@H]1CCCNC1 ZINC000667007662 487928021 /nfs/dbraw/zinc/92/80/21/487928021.db2.gz NCXAGDQSOMNRDF-SRVKXCTJSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@H](NC[C@H](O)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000667007662 487928025 /nfs/dbraw/zinc/92/80/25/487928025.db2.gz NCXAGDQSOMNRDF-SRVKXCTJSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCCNC1 ZINC000562744791 323029846 /nfs/dbraw/zinc/02/98/46/323029846.db2.gz VZDDLNUCKDBIHK-AAVRWANBSA-N 1 3 240.391 1.779 10 0 BDAEHO CCC[C@@H](CNC1CC[NH2+]CC1)OCC ZINC000530209444 323209901 /nfs/dbraw/zinc/20/99/01/323209901.db2.gz HRXMAHFCKBDKRC-LBPRGKRZSA-N 1 3 214.353 1.533 10 0 BDAEHO CCC[C@@H](C[NH2+]C1CCNCC1)OCC ZINC000530209444 323209902 /nfs/dbraw/zinc/20/99/02/323209902.db2.gz HRXMAHFCKBDKRC-LBPRGKRZSA-N 1 3 214.353 1.533 10 0 BDAEHO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@@H]1CCCNC1 ZINC000565827604 325961303 /nfs/dbraw/zinc/96/13/03/325961303.db2.gz KQQSCVYJZIMIGK-QNWHQSFQSA-N 1 3 226.364 1.125 10 0 BDAEHO CCN1CCC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000566732238 326076789 /nfs/dbraw/zinc/07/67/89/326076789.db2.gz LIQXWTIHPMPEHH-IHRRRGAJSA-N 1 3 239.407 1.448 10 0 BDAEHO CCOCCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000568987924 326384947 /nfs/dbraw/zinc/38/49/47/326384947.db2.gz VMCTVHISNYISMX-MNOVXSKESA-N 1 3 200.326 1.001 10 0 BDAEHO CCOCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000568987924 326384948 /nfs/dbraw/zinc/38/49/48/326384948.db2.gz VMCTVHISNYISMX-MNOVXSKESA-N 1 3 200.326 1.001 10 0 BDAEHO COC[C@@H](C)C[N@@H+]1CCC[C@@]12CCCNC2 ZINC000757129270 582505037 /nfs/dbraw/zinc/50/50/37/582505037.db2.gz LAYRDXDLGLKRDM-QWHCGFSZSA-N 1 3 226.364 1.487 10 0 BDAEHO COC[C@@H](C)C[N@H+]1CCC[C@@]12CCCNC2 ZINC000757129270 582505039 /nfs/dbraw/zinc/50/50/39/582505039.db2.gz LAYRDXDLGLKRDM-QWHCGFSZSA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@@H]1CNC[C@@]2(CCC[N@@H+]2CC2CC2)C1 ZINC000757135112 582514314 /nfs/dbraw/zinc/51/43/14/582514314.db2.gz YVOWYHYXNWAPAQ-WCQYABFASA-N 1 3 208.349 1.860 10 0 BDAEHO C[C@@H]1CNC[C@@]2(CCC[N@H+]2CC2CC2)C1 ZINC000757135112 582514315 /nfs/dbraw/zinc/51/43/15/582514315.db2.gz YVOWYHYXNWAPAQ-WCQYABFASA-N 1 3 208.349 1.860 10 0 BDAEHO CSC[C@H](C)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400435426 533784386 /nfs/dbraw/zinc/78/43/86/533784386.db2.gz MPIYDFQOJMXQKF-AEJSXWLSSA-N 1 3 202.367 1.326 10 0 BDAEHO C[C@H](NCC1(N(C)C)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400515196 533833731 /nfs/dbraw/zinc/83/37/31/533833731.db2.gz KJGSXJWNPURUCF-NWDGAFQWSA-N 1 3 225.380 1.058 10 0 BDAEHO C[C@H](NCC1(CO)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400576497 533833817 /nfs/dbraw/zinc/83/38/17/533833817.db2.gz PEHCBNUAYGVQEI-NWDGAFQWSA-N 1 3 226.364 1.127 10 0 BDAEHO C[C@H](NCCOC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400355982 533859522 /nfs/dbraw/zinc/85/95/22/533859522.db2.gz OMUABONOHQRPLK-QWHCGFSZSA-N 1 3 240.391 1.923 10 0 BDAEHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H](CCO)C1 ZINC000252742238 536354165 /nfs/dbraw/zinc/35/41/65/536354165.db2.gz JQRICNAUWKGZMH-ZIAGYGMSSA-N 1 3 240.391 1.565 10 0 BDAEHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@H](CCO)C1 ZINC000252742238 536354166 /nfs/dbraw/zinc/35/41/66/536354166.db2.gz JQRICNAUWKGZMH-ZIAGYGMSSA-N 1 3 240.391 1.565 10 0 BDAEHO CC(C)(C)C[C@@H](O)CN[C@H]1CCC[NH2+]CC1 ZINC000226066189 534628608 /nfs/dbraw/zinc/62/86/08/534628608.db2.gz GXOHUCHONGBMCS-NWDGAFQWSA-N 1 3 228.380 1.515 10 0 BDAEHO CCN(CCN[C@@H](C)[C@H]1CC[NH2+]C1)C1CC1 ZINC000400501624 528512900 /nfs/dbraw/zinc/51/29/00/528512900.db2.gz GWMPPTWFWQULMT-RYUDHWBXSA-N 1 3 225.380 1.058 10 0 BDAEHO CCN1CCC[C@H](N[C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400430829 529091973 /nfs/dbraw/zinc/09/19/73/529091973.db2.gz BPZNZRNUOZRXKZ-XQQFMLRXSA-N 1 3 225.380 1.058 10 0 BDAEHO CCCN1CCN(c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000019865924 534932827 /nfs/dbraw/zinc/93/28/27/534932827.db2.gz PVINFUXFICNVHS-UHFFFAOYSA-N 1 3 246.358 1.503 10 0 BDAEHO CC[C@@H](C)N1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000055066261 535565430 /nfs/dbraw/zinc/56/54/30/535565430.db2.gz BJEZOCZKPUCFSP-LLVKDONJSA-N 1 3 234.347 1.584 10 0 BDAEHO CC[C@@H]1CCC[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000262176364 535822085 /nfs/dbraw/zinc/82/20/85/535822085.db2.gz VZEHTXYUWAAMSS-VOAKCMCISA-N 1 3 226.364 1.125 10 0 BDAEHO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)C1 ZINC000262176364 535822086 /nfs/dbraw/zinc/82/20/86/535822086.db2.gz VZEHTXYUWAAMSS-VOAKCMCISA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@]12CN(C(C)(C)C)CC[C@H]2O ZINC000725245820 538003621 /nfs/dbraw/zinc/00/36/21/538003621.db2.gz MCCRZRVWRPRLMM-WZRBSPASSA-N 1 3 226.364 1.077 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@@]2(CCCN2CC2CC2)C1 ZINC000757135112 582514313 /nfs/dbraw/zinc/51/43/13/582514313.db2.gz YVOWYHYXNWAPAQ-WCQYABFASA-N 1 3 208.349 1.860 10 0 BDAEHO CN1CCC2(CC1)[NH2+][C@H]1CCCC[C@H]1CO2 ZINC000757138597 582518188 /nfs/dbraw/zinc/51/81/88/582518188.db2.gz CPIOTGKNFWAKIH-RYUDHWBXSA-N 1 3 224.348 1.587 10 0 BDAEHO [NH3+][C@@H]1CNC[C@H](c2cccc3cc[nH]c32)C1 ZINC000757217811 582561866 /nfs/dbraw/zinc/56/18/66/582561866.db2.gz SNRCLOWWJLILMO-MNOVXSKESA-N 1 3 215.300 1.572 10 0 BDAEHO COC[C@H](C)C[N@@H+]1CCCC12CCNCC2 ZINC000757126402 586425876 /nfs/dbraw/zinc/42/58/76/586425876.db2.gz FNXXCOPAKCPTEF-GFCCVEGCSA-N 1 3 226.364 1.487 10 0 BDAEHO COC[C@H](C)C[N@H+]1CCCC12CCNCC2 ZINC000757126402 586425878 /nfs/dbraw/zinc/42/58/78/586425878.db2.gz FNXXCOPAKCPTEF-GFCCVEGCSA-N 1 3 226.364 1.487 10 0 BDAEHO [NH3+]C[C@@H]1CNC[C@H](c2ccc(C=O)s2)C1 ZINC000757213029 586439640 /nfs/dbraw/zinc/43/96/40/586439640.db2.gz KSEURASCQFOBJR-RKDXNWHRSA-N 1 3 224.329 1.212 10 0 BDAEHO Nc1cccc([C@H]2CC[C@H](C[NH3+])CN2)c1 ZINC000757215243 586440787 /nfs/dbraw/zinc/44/07/87/586440787.db2.gz MUJPBQXVAGDQEM-BXKDBHETSA-N 1 3 205.305 1.268 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1CC[C@@H](C[NH3+])CN1 ZINC000757235807 586443662 /nfs/dbraw/zinc/44/36/62/586443662.db2.gz MWODRRQIXXHZIW-GWCFXTLKSA-N 1 3 219.332 1.577 10 0 BDAEHO CO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN(C)C)C12CCC2 ZINC000308361992 631305861 /nfs/dbraw/zinc/30/58/61/631305861.db2.gz HRKKHNVUDYPTBH-YNEHKIRRSA-N 1 3 240.391 1.731 10 0 BDAEHO CO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN(C)C)C12CCC2 ZINC000308361991 631306260 /nfs/dbraw/zinc/30/62/60/631306260.db2.gz HRKKHNVUDYPTBH-RWMBFGLXSA-N 1 3 240.391 1.731 10 0 BDAEHO [NH3+]C[C@@H]1CCN([C@H]2C[C@H]2c2ccccc2)C1 ZINC000250827187 635498790 /nfs/dbraw/zinc/49/87/90/635498790.db2.gz YIGJNWGQFWEZSG-UBHSHLNASA-N 1 3 216.328 1.823 10 0 BDAEHO CCN(C[C@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666787 643363302 /nfs/dbraw/zinc/36/33/02/643363302.db2.gz HDJMCMXHXGGUQM-CHWSQXEVSA-N 1 3 226.364 1.629 10 0 BDAEHO CN(C)C1(C)CC[NH+](CC2(O)CCC2)CC1 ZINC000709815276 712228411 /nfs/dbraw/zinc/22/84/11/712228411.db2.gz FURFCPCJWQDHSQ-UHFFFAOYSA-N 1 3 226.364 1.318 10 0 BDAEHO CN(C[C@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000051253024 711637484 /nfs/dbraw/zinc/63/74/84/711637484.db2.gz YOCKBBWSSMATTH-SNVBAGLBSA-N 1 3 200.326 1.082 10 0 BDAEHO C[NH+](C)C1CC(NCCc2ccccc2)C1 ZINC000701426249 712022761 /nfs/dbraw/zinc/02/27/61/712022761.db2.gz YMOHWIBJSBSEHC-UHFFFAOYSA-N 1 3 218.344 1.911 10 0 BDAEHO C(C[C@H]1CCCS1)[NH2+]C1CCNCC1 ZINC000715751676 712531986 /nfs/dbraw/zinc/53/19/86/712531986.db2.gz UDNGLYICNISCSA-LLVKDONJSA-N 1 3 214.378 1.614 10 0 BDAEHO C[C@H](NC[C@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]C1 ZINC000717628236 712661919 /nfs/dbraw/zinc/66/19/19/712661919.db2.gz VOQYHJXSPGKDSN-YNEHKIRRSA-N 1 3 240.391 1.779 10 0 BDAEHO CCCN1CC[C@@H]([NH3+])[C@]12CCCSC2 ZINC000685955220 538900986 /nfs/dbraw/zinc/90/09/86/538900986.db2.gz WJEVZOCOEZQWOT-GHMZBOCLSA-N 1 3 214.378 1.695 10 0 BDAEHO Cc1cc(N(C)CCN(C)C)ccc1C[C@@H](C)[NH3+] ZINC000104258444 178099350 /nfs/dbraw/zinc/09/93/50/178099350.db2.gz MKOPULMBTGMLII-CYBMUJFWSA-N 1 3 249.402 1.883 10 0 BDAEHO C[C@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000378763263 346828357 /nfs/dbraw/zinc/82/83/57/346828357.db2.gz BWICRPDCUDVSFF-GRYCIOLGSA-N 1 3 212.337 1.238 10 0 BDAEHO C[C@H]1OCC[C@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000378763263 346828360 /nfs/dbraw/zinc/82/83/60/346828360.db2.gz BWICRPDCUDVSFF-GRYCIOLGSA-N 1 3 212.337 1.238 10 0 BDAEHO C[C@H]1OCC[C@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000378763263 346828365 /nfs/dbraw/zinc/82/83/65/346828365.db2.gz BWICRPDCUDVSFF-GRYCIOLGSA-N 1 3 212.337 1.238 10 0 BDAEHO CCC(CC)[N@H+](CCOC)[C@@H]1COCC[C@@H]1N ZINC000042616095 168375623 /nfs/dbraw/zinc/37/56/23/168375623.db2.gz IGJLLRRLISCDTI-QWHCGFSZSA-N 1 3 244.379 1.240 10 0 BDAEHO CCC(CC)[N@@H+](CCOC)[C@@H]1COCC[C@@H]1N ZINC000042616095 168375626 /nfs/dbraw/zinc/37/56/26/168375626.db2.gz IGJLLRRLISCDTI-QWHCGFSZSA-N 1 3 244.379 1.240 10 0 BDAEHO COCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000562957100 323035131 /nfs/dbraw/zinc/03/51/31/323035131.db2.gz WEEHMXYAHDKGSJ-RYUDHWBXSA-N 1 3 228.380 1.637 10 0 BDAEHO C1CC([N@@H+]2CCCSCC2)CCN1 ZINC000043501217 343098860 /nfs/dbraw/zinc/09/88/60/343098860.db2.gz JWQZNXMBIXOLQM-UHFFFAOYSA-N 1 3 200.351 1.177 10 0 BDAEHO C1CC([N@H+]2CCCSCC2)CCN1 ZINC000043501217 343098861 /nfs/dbraw/zinc/09/88/61/343098861.db2.gz JWQZNXMBIXOLQM-UHFFFAOYSA-N 1 3 200.351 1.177 10 0 BDAEHO C1CC(N2CCCSCC2)CC[NH2+]1 ZINC000043501217 343098862 /nfs/dbraw/zinc/09/88/62/343098862.db2.gz JWQZNXMBIXOLQM-UHFFFAOYSA-N 1 3 200.351 1.177 10 0 BDAEHO CCCCOCCN[C@H]1CCC[NH2+]CC1 ZINC000168734310 136269898 /nfs/dbraw/zinc/26/98/98/136269898.db2.gz AQDYAVRKHGIUAN-LBPRGKRZSA-N 1 3 214.353 1.535 10 0 BDAEHO [NH3+]CCCN1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409427988 343802496 /nfs/dbraw/zinc/80/24/96/343802496.db2.gz LNEXUDFHYZDEGV-UWVGGRQHSA-N 1 3 218.291 1.702 10 0 BDAEHO NCCC[N@@H+]1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409427988 343802498 /nfs/dbraw/zinc/80/24/98/343802498.db2.gz LNEXUDFHYZDEGV-UWVGGRQHSA-N 1 3 218.291 1.702 10 0 BDAEHO NCCC[N@H+]1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409427988 343802500 /nfs/dbraw/zinc/80/25/00/343802500.db2.gz LNEXUDFHYZDEGV-UWVGGRQHSA-N 1 3 218.291 1.702 10 0 BDAEHO CCC[C@H]1C[N@@H+](C2CCNCC2)CC[C@@H]1O ZINC000409436402 343839324 /nfs/dbraw/zinc/83/93/24/343839324.db2.gz ZPSDJSYCRWWVGS-AAEUAGOBSA-N 1 3 226.364 1.221 10 0 BDAEHO CCC[C@H]1C[N@H+](C2CCNCC2)CC[C@@H]1O ZINC000409436402 343839326 /nfs/dbraw/zinc/83/93/26/343839326.db2.gz ZPSDJSYCRWWVGS-AAEUAGOBSA-N 1 3 226.364 1.221 10 0 BDAEHO CCC[C@H]1CN(C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409436402 343839327 /nfs/dbraw/zinc/83/93/27/343839327.db2.gz ZPSDJSYCRWWVGS-AAEUAGOBSA-N 1 3 226.364 1.221 10 0 BDAEHO CS[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](CN)C1 ZINC000235234481 343874852 /nfs/dbraw/zinc/87/48/52/343874852.db2.gz WGHFUQMXIFQCRP-HBNTYKKESA-N 1 3 214.378 1.551 10 0 BDAEHO CS[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](CN)C1 ZINC000235234481 343874855 /nfs/dbraw/zinc/87/48/55/343874855.db2.gz WGHFUQMXIFQCRP-HBNTYKKESA-N 1 3 214.378 1.551 10 0 BDAEHO COC1(C[N@@H+]2C[C@H](C)[C@@H](CN)C2)CCCC1 ZINC000634998290 345198077 /nfs/dbraw/zinc/19/80/77/345198077.db2.gz CYQZLRRFPCUXBB-RYUDHWBXSA-N 1 3 226.364 1.472 10 0 BDAEHO COC1(C[N@H+]2C[C@H](C)[C@@H](CN)C2)CCCC1 ZINC000634998290 345198078 /nfs/dbraw/zinc/19/80/78/345198078.db2.gz CYQZLRRFPCUXBB-RYUDHWBXSA-N 1 3 226.364 1.472 10 0 BDAEHO CCC[C@H](CCO)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000635004584 345207739 /nfs/dbraw/zinc/20/77/39/345207739.db2.gz PQYCPOACFDTEDR-JHJVBQTASA-N 1 3 228.380 1.515 10 0 BDAEHO C[C@H]1SCCN(CC(C)(C)C[NH3+])[C@@H]1C ZINC000132516912 345333989 /nfs/dbraw/zinc/33/39/89/345333989.db2.gz IMUVDYHGCWHFGV-NXEZZACHSA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@H]1SCC[N@H+](CC(C)(C)CN)[C@@H]1C ZINC000132516912 345333990 /nfs/dbraw/zinc/33/39/90/345333990.db2.gz IMUVDYHGCWHFGV-NXEZZACHSA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@H]1SCC[N@@H+](CC(C)(C)CN)[C@@H]1C ZINC000132516912 345333993 /nfs/dbraw/zinc/33/39/93/345333993.db2.gz IMUVDYHGCWHFGV-NXEZZACHSA-N 1 3 216.394 1.797 10 0 BDAEHO [NH3+]CC1(CN2CCCSCC2)CCC1 ZINC000168530259 346737070 /nfs/dbraw/zinc/73/70/70/346737070.db2.gz RCEGAUUBHYOKEU-UHFFFAOYSA-N 1 3 214.378 1.554 10 0 BDAEHO C[C@@H](COCc1ccccc1)NC1CC[NH2+]CC1 ZINC000390571689 259393896 /nfs/dbraw/zinc/39/38/96/259393896.db2.gz UDQZIVJDMDRZNL-ZDUSSCGKSA-N 1 3 248.370 1.933 10 0 BDAEHO C[C@@H](COCc1ccccc1)[NH2+]C1CCNCC1 ZINC000390571689 259393897 /nfs/dbraw/zinc/39/38/97/259393897.db2.gz UDQZIVJDMDRZNL-ZDUSSCGKSA-N 1 3 248.370 1.933 10 0 BDAEHO CCSCC[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000601327650 347214123 /nfs/dbraw/zinc/21/41/23/347214123.db2.gz YEDCWDNMBRIGAL-UWVGGRQHSA-N 1 3 202.367 1.266 10 0 BDAEHO CCSCC[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000601327650 347214125 /nfs/dbraw/zinc/21/41/25/347214125.db2.gz YEDCWDNMBRIGAL-UWVGGRQHSA-N 1 3 202.367 1.266 10 0 BDAEHO CCSCCN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601327650 347214128 /nfs/dbraw/zinc/21/41/28/347214128.db2.gz YEDCWDNMBRIGAL-UWVGGRQHSA-N 1 3 202.367 1.266 10 0 BDAEHO C[NH2+]C1CCN(C2CCSCC2)CC1 ZINC000220774390 350186425 /nfs/dbraw/zinc/18/64/25/350186425.db2.gz XLFVIERIUKVSOX-UHFFFAOYSA-N 1 3 214.378 1.566 10 0 BDAEHO CNC1CC[NH+](C2CCSCC2)CC1 ZINC000220774390 350186427 /nfs/dbraw/zinc/18/64/27/350186427.db2.gz XLFVIERIUKVSOX-UHFFFAOYSA-N 1 3 214.378 1.566 10 0 BDAEHO CCC[C@@H]1C[N@@H+](C2CCNCC2)CC[C@H]1O ZINC000409436403 350478564 /nfs/dbraw/zinc/47/85/64/350478564.db2.gz ZPSDJSYCRWWVGS-DGCLKSJQSA-N 1 3 226.364 1.221 10 0 BDAEHO CCC[C@@H]1C[N@H+](C2CCNCC2)CC[C@H]1O ZINC000409436403 350478570 /nfs/dbraw/zinc/47/85/70/350478570.db2.gz ZPSDJSYCRWWVGS-DGCLKSJQSA-N 1 3 226.364 1.221 10 0 BDAEHO CCC[C@@H]1CN(C2CC[NH2+]CC2)CC[C@H]1O ZINC000409436403 350478575 /nfs/dbraw/zinc/47/85/75/350478575.db2.gz ZPSDJSYCRWWVGS-DGCLKSJQSA-N 1 3 226.364 1.221 10 0 BDAEHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](CN)C2)CS1 ZINC000227511634 350499224 /nfs/dbraw/zinc/49/92/24/350499224.db2.gz IUWMNDJUCBIQQQ-KXUCPTDWSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](CN)C2)CS1 ZINC000227511634 350499227 /nfs/dbraw/zinc/49/92/27/350499227.db2.gz IUWMNDJUCBIQQQ-KXUCPTDWSA-N 1 3 200.351 1.161 10 0 BDAEHO NCC[N@@H+]1CCC[C@H](c2cccc(N)n2)CC1 ZINC000616602151 350790616 /nfs/dbraw/zinc/79/06/16/350790616.db2.gz XUKPLVZGGIIEDA-NSHDSACASA-N 1 3 234.347 1.192 10 0 BDAEHO NCC[N@H+]1CCC[C@H](c2cccc(N)n2)CC1 ZINC000616602151 350790619 /nfs/dbraw/zinc/79/06/19/350790619.db2.gz XUKPLVZGGIIEDA-NSHDSACASA-N 1 3 234.347 1.192 10 0 BDAEHO C[C@@H]1CSCCN1[C@H]1CC[C@@H]1C[NH3+] ZINC000251847104 350904927 /nfs/dbraw/zinc/90/49/27/350904927.db2.gz RAJRFBCWWDRINF-BBBLOLIVSA-N 1 3 200.351 1.161 10 0 BDAEHO NCC[N@@H+]1CCCC[C@H](c2cccnc2)C1 ZINC000616627549 351095881 /nfs/dbraw/zinc/09/58/81/351095881.db2.gz KKKXNHKBCYNCRU-ZDUSSCGKSA-N 1 3 219.332 1.610 10 0 BDAEHO NCC[N@H+]1CCCC[C@H](c2cccnc2)C1 ZINC000616627549 351095885 /nfs/dbraw/zinc/09/58/85/351095885.db2.gz KKKXNHKBCYNCRU-ZDUSSCGKSA-N 1 3 219.332 1.610 10 0 BDAEHO C[C@H]1CSC[C@H]1[NH2+]C1CCNCC1 ZINC000307023950 351429507 /nfs/dbraw/zinc/42/95/07/351429507.db2.gz YHPZCTLTSCADRL-WCBMZHEXSA-N 1 3 200.351 1.080 10 0 BDAEHO C[C@H]1CSC[C@H]1NC1CC[NH2+]CC1 ZINC000307023950 351429511 /nfs/dbraw/zinc/42/95/11/351429511.db2.gz YHPZCTLTSCADRL-WCBMZHEXSA-N 1 3 200.351 1.080 10 0 BDAEHO C[C@H]1CN(C2CSC2)C[C@@]1(C)C[NH3+] ZINC000307030469 351431362 /nfs/dbraw/zinc/43/13/62/351431362.db2.gz PNHLAICTZZPUTE-WCBMZHEXSA-N 1 3 200.351 1.019 10 0 BDAEHO C[C@H]1C[N@@H+](C2CSC2)C[C@@]1(C)CN ZINC000307030469 351431363 /nfs/dbraw/zinc/43/13/63/351431363.db2.gz PNHLAICTZZPUTE-WCBMZHEXSA-N 1 3 200.351 1.019 10 0 BDAEHO C[C@H]1C[N@H+](C2CSC2)C[C@@]1(C)CN ZINC000307030469 351431367 /nfs/dbraw/zinc/43/13/67/351431367.db2.gz PNHLAICTZZPUTE-WCBMZHEXSA-N 1 3 200.351 1.019 10 0 BDAEHO C[NH2+]C[C@H]1CCN([C@H]2CSC2(C)C)C1 ZINC000307147503 351500408 /nfs/dbraw/zinc/50/04/08/351500408.db2.gz IBIVVSRILBBTMQ-ZJUUUORDSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@H]([NH3+])[C@H](C)NCCCNC(=O)OC(C)(C)C ZINC000307251550 351772235 /nfs/dbraw/zinc/77/22/35/351772235.db2.gz OFOKDSHRSIWMJV-UWVGGRQHSA-N 1 3 245.367 1.227 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000307329900 352029229 /nfs/dbraw/zinc/02/92/29/352029229.db2.gz XIKNKVPOIXBECT-RCWTZXSCSA-N 1 3 214.378 1.468 10 0 BDAEHO [NH3+]CCc1nc2c(s1)CN(CC1CC1)CC2 ZINC000725270525 538102169 /nfs/dbraw/zinc/10/21/69/538102169.db2.gz AQESZJAOORTYQQ-UHFFFAOYSA-N 1 3 237.372 1.412 10 0 BDAEHO CC[C@@H]1C[N@@H+]([C@H](C)[C@H](C)N)CCCO1 ZINC000300911720 363120748 /nfs/dbraw/zinc/12/07/48/363120748.db2.gz OYFZTHZLWJZPHB-HBNTYKKESA-N 1 3 200.326 1.223 10 0 BDAEHO CC[C@@H]1C[N@H+]([C@H](C)[C@H](C)N)CCCO1 ZINC000300911720 363120749 /nfs/dbraw/zinc/12/07/49/363120749.db2.gz OYFZTHZLWJZPHB-HBNTYKKESA-N 1 3 200.326 1.223 10 0 BDAEHO C[C@@H]1CSCC[N@@H+]([C@@H]2CC[C@H]2CN)C1 ZINC000307461987 352611062 /nfs/dbraw/zinc/61/10/62/352611062.db2.gz GAATWQHDLFUULT-GARJFASQSA-N 1 3 214.378 1.409 10 0 BDAEHO C[C@@H]1CSCC[N@H+]([C@@H]2CC[C@H]2CN)C1 ZINC000307461987 352611065 /nfs/dbraw/zinc/61/10/65/352611065.db2.gz GAATWQHDLFUULT-GARJFASQSA-N 1 3 214.378 1.409 10 0 BDAEHO C[C@@H]1CSCCN([C@@H]2CC[C@H]2C[NH3+])C1 ZINC000307461987 352611066 /nfs/dbraw/zinc/61/10/66/352611066.db2.gz GAATWQHDLFUULT-GARJFASQSA-N 1 3 214.378 1.409 10 0 BDAEHO C[C@H](CN)[C@H](C)[N@@H+]1CCS[C@H](C)CC1 ZINC000307494433 352624856 /nfs/dbraw/zinc/62/48/56/352624856.db2.gz HTHLDRSEOCTVEW-MXWKQRLJSA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@H](CN)[C@H](C)[N@H+]1CCS[C@H](C)CC1 ZINC000307494433 352624860 /nfs/dbraw/zinc/62/48/60/352624860.db2.gz HTHLDRSEOCTVEW-MXWKQRLJSA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@H](C[NH3+])[C@H](C)N1CCS[C@H](C)CC1 ZINC000307494433 352624863 /nfs/dbraw/zinc/62/48/63/352624863.db2.gz HTHLDRSEOCTVEW-MXWKQRLJSA-N 1 3 216.394 1.797 10 0 BDAEHO CC(C)N1CCN([C@@H]2C[C@@H](C)CC[C@@H]2[NH3+])CC1 ZINC000036170969 188278902 /nfs/dbraw/zinc/27/89/02/188278902.db2.gz HIIMCHAJTAABIH-MELADBBJSA-N 1 3 239.407 1.528 10 0 BDAEHO COc1ccc(CC[N@@H+]2CCNC[C@@H](C)C2)cc1 ZINC000049660988 188299214 /nfs/dbraw/zinc/29/92/14/188299214.db2.gz GSIGOGLHJDZEAA-CYBMUJFWSA-N 1 3 248.370 1.779 10 0 BDAEHO COc1ccc(CC[N@H+]2CCNC[C@@H](C)C2)cc1 ZINC000049660988 188299216 /nfs/dbraw/zinc/29/92/16/188299216.db2.gz GSIGOGLHJDZEAA-CYBMUJFWSA-N 1 3 248.370 1.779 10 0 BDAEHO C(CN1CCC[NH2+]CCC1)[C@@H]1CCCO1 ZINC000044510701 188325900 /nfs/dbraw/zinc/32/59/00/188325900.db2.gz KZVRLZYFYIIIKN-LBPRGKRZSA-N 1 3 212.337 1.241 10 0 BDAEHO C(C[NH+]1CCCNCCC1)[C@@H]1CCCO1 ZINC000044510701 188325902 /nfs/dbraw/zinc/32/59/02/188325902.db2.gz KZVRLZYFYIIIKN-LBPRGKRZSA-N 1 3 212.337 1.241 10 0 BDAEHO CCO[C@@H]1C[C@@H](NCC[C@@H](C)[NH3+])C1(C)C ZINC000233744881 363407680 /nfs/dbraw/zinc/40/76/80/363407680.db2.gz DJEGGWAAHCEMMQ-GMTAPVOTSA-N 1 3 214.353 1.517 10 0 BDAEHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)N)C1(C)C ZINC000233744881 363407681 /nfs/dbraw/zinc/40/76/81/363407681.db2.gz DJEGGWAAHCEMMQ-GMTAPVOTSA-N 1 3 214.353 1.517 10 0 BDAEHO CC(C)CCOCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000113515165 355252126 /nfs/dbraw/zinc/25/21/26/355252126.db2.gz DDHRTXQVFGODCY-CQSZACIVSA-N 1 3 242.407 1.933 10 0 BDAEHO CC(C)CCOCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000113515165 355252132 /nfs/dbraw/zinc/25/21/32/355252132.db2.gz DDHRTXQVFGODCY-CQSZACIVSA-N 1 3 242.407 1.933 10 0 BDAEHO NC(=[NH2+])CCN(CCCn1ccnc1)C1CC1 ZINC000042548203 181186469 /nfs/dbraw/zinc/18/64/69/181186469.db2.gz NPWPQQGORREAOK-UHFFFAOYSA-N 1 3 235.335 1.064 10 0 BDAEHO NC(=[NH2+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000100420196 181192323 /nfs/dbraw/zinc/19/23/23/181192323.db2.gz VAIVSKGFZNXHER-LLVKDONJSA-N 1 3 203.289 1.444 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)[C@@H]1CCCOC1 ZINC000389066041 355582414 /nfs/dbraw/zinc/58/24/14/355582414.db2.gz LIVYDOOPFSYCAW-UMSGYPCISA-N 1 3 226.364 1.519 10 0 BDAEHO Cn1ncc(C[NH3+])c1CN1CCC(C)(C)CC1 ZINC000675056960 538479423 /nfs/dbraw/zinc/47/94/23/538479423.db2.gz ZMHCPNYPJCCFSF-UHFFFAOYSA-N 1 3 236.363 1.501 10 0 BDAEHO CO[C@@H]1CCC[C@H](C2=C[C@@H]([NH3+])CNC2)C1 ZINC000675079080 538517298 /nfs/dbraw/zinc/51/72/98/538517298.db2.gz VRYATGLTLPDFGY-MVWJERBFSA-N 1 3 210.321 1.049 10 0 BDAEHO CO[C@@H]1CCC[C@H](C2=C[C@H]([NH3+])CNC2)C1 ZINC000675079082 538518227 /nfs/dbraw/zinc/51/82/27/538518227.db2.gz VRYATGLTLPDFGY-ZMLRMANQSA-N 1 3 210.321 1.049 10 0 BDAEHO O[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000156012872 538751155 /nfs/dbraw/zinc/75/11/55/538751155.db2.gz VEOJNDLOADDGJY-REWJHTLYSA-N 1 3 238.375 1.506 10 0 BDAEHO O[C@@H]1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000156012872 538751159 /nfs/dbraw/zinc/75/11/59/538751159.db2.gz VEOJNDLOADDGJY-REWJHTLYSA-N 1 3 238.375 1.506 10 0 BDAEHO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000156012872 538751163 /nfs/dbraw/zinc/75/11/63/538751163.db2.gz VEOJNDLOADDGJY-REWJHTLYSA-N 1 3 238.375 1.506 10 0 BDAEHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCSCC1 ZINC000306213421 359307511 /nfs/dbraw/zinc/30/75/11/359307511.db2.gz WVOUINUJHBDIDN-ONGXEEELSA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@H]1CN(Cc2ccccc2)CCN(C(N)=[NH2+])C1 ZINC000306499344 360260310 /nfs/dbraw/zinc/26/03/10/360260310.db2.gz JAYDGYAEZGNIKR-LBPRGKRZSA-N 1 3 246.358 1.334 10 0 BDAEHO FC1(F)C[C@H]1CC[NH2+]C1CCNCC1 ZINC000622044213 370675926 /nfs/dbraw/zinc/67/59/26/370675926.db2.gz YSFYEVZSXVILGT-MRVPVSSYSA-N 1 3 204.264 1.373 10 0 BDAEHO C1CC1[C@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)CO1 ZINC000629547805 361432029 /nfs/dbraw/zinc/43/20/29/361432029.db2.gz LUVDVKVEZLYUOD-FRRDWIJNSA-N 1 3 224.348 1.286 10 0 BDAEHO CO[C@H]1CN(CC(C)C)[C@](C)(C[NH3+])C1 ZINC000630354791 364077108 /nfs/dbraw/zinc/07/71/08/364077108.db2.gz AZIWGHNNKQPZAK-MNOVXSKESA-N 1 3 200.326 1.081 10 0 BDAEHO CCCCCN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630355352 364077481 /nfs/dbraw/zinc/07/74/81/364077481.db2.gz GWZTWIUZAFNFIZ-NEPJUHHUSA-N 1 3 214.353 1.615 10 0 BDAEHO CO[C@@H]1CN(C[C@@H]2C[C@@H]2C)[C@@](C)(C[NH3+])C1 ZINC000630370335 364087728 /nfs/dbraw/zinc/08/77/28/364087728.db2.gz ZGPPRPCOVIKDLK-FIQHERPVSA-N 1 3 212.337 1.081 10 0 BDAEHO [NH3+]CCCN[C@H]1CCN(CCc2ccccc2)C1 ZINC000040671478 181382992 /nfs/dbraw/zinc/38/29/92/181382992.db2.gz UBTDEODYTFHFDG-HNNXBMFYSA-N 1 3 247.386 1.242 10 0 BDAEHO C[C@H](NC[C@@H](O)CC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000574391318 365050863 /nfs/dbraw/zinc/05/08/63/365050863.db2.gz QERUVCLSARSOQO-AVGNSLFASA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@H]1CCCNC1 ZINC000574391318 365050869 /nfs/dbraw/zinc/05/08/69/365050869.db2.gz QERUVCLSARSOQO-AVGNSLFASA-N 1 3 242.407 1.761 10 0 BDAEHO CCC(CC)[C@H](O)CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000575850751 365384674 /nfs/dbraw/zinc/38/46/74/365384674.db2.gz XCXIWOOOAAINNI-FPMFFAJLSA-N 1 3 242.407 1.761 10 0 BDAEHO CCC(CC)[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000575850751 365384679 /nfs/dbraw/zinc/38/46/79/365384679.db2.gz XCXIWOOOAAINNI-FPMFFAJLSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CCCNC1 ZINC000581185030 367285402 /nfs/dbraw/zinc/28/54/02/367285402.db2.gz DETHAZOXOVDSLD-XGFWRYKXSA-N 1 3 240.391 1.778 10 0 BDAEHO Cc1cnccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000384906620 367754834 /nfs/dbraw/zinc/75/48/34/367754834.db2.gz AOVONUGZGRHLFE-MELADBBJSA-N 1 3 231.343 1.559 10 0 BDAEHO C[C@@H]1CN([C@H]2CC[C@H]([NH3+])C2)CCS1 ZINC000252978750 368176105 /nfs/dbraw/zinc/17/61/05/368176105.db2.gz DLGDXSOKPCDVMQ-UTLUCORTSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)CN1CCCC1 ZINC000310264329 370330628 /nfs/dbraw/zinc/33/06/28/370330628.db2.gz MHFTUYHTUFVSLW-QWHCGFSZSA-N 1 3 242.407 1.715 10 0 BDAEHO C[C@@H](CNC[C@@H](O)C(C)(C)C)C[NH+]1CCCC1 ZINC000310264329 370330634 /nfs/dbraw/zinc/33/06/34/370330634.db2.gz MHFTUYHTUFVSLW-QWHCGFSZSA-N 1 3 242.407 1.715 10 0 BDAEHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](CN)C2)CS1 ZINC000227511618 371879105 /nfs/dbraw/zinc/87/91/05/371879105.db2.gz IUWMNDJUCBIQQQ-UTLUCORTSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](CN)C2)CS1 ZINC000227511618 371879110 /nfs/dbraw/zinc/87/91/10/371879110.db2.gz IUWMNDJUCBIQQQ-UTLUCORTSA-N 1 3 200.351 1.161 10 0 BDAEHO CCN1CCc2c(C[NH2+]C)csc2C1 ZINC000132842528 371933214 /nfs/dbraw/zinc/93/32/14/371933214.db2.gz LMCOGWQKHWYSKX-UHFFFAOYSA-N 1 3 210.346 1.846 10 0 BDAEHO CC1(C)C[NH+](C2(CN)CCSCC2)C1 ZINC000307451082 372122211 /nfs/dbraw/zinc/12/22/11/372122211.db2.gz RWCGWSPEQKZWKH-UHFFFAOYSA-N 1 3 214.378 1.553 10 0 BDAEHO C[C@H](C[C@H](C)[NH3+])N1CCCO[C@@H](C)C1 ZINC000218653697 372140762 /nfs/dbraw/zinc/14/07/62/372140762.db2.gz UARNUHKIDMEUHT-AXFHLTTASA-N 1 3 200.326 1.223 10 0 BDAEHO Cc1cnccc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837456 372627758 /nfs/dbraw/zinc/62/77/58/372627758.db2.gz SLRPOPNZUSZDBJ-AAEUAGOBSA-N 1 3 219.332 1.417 10 0 BDAEHO CCCN(C)[C@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000037097930 169085983 /nfs/dbraw/zinc/08/59/83/169085983.db2.gz SJSGTWQZMNILRK-LLVKDONJSA-N 1 3 249.358 1.814 10 0 BDAEHO CCCN1CCN([C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052421752 169202322 /nfs/dbraw/zinc/20/23/22/169202322.db2.gz ZNRVHVDEOAZNGL-CYBMUJFWSA-N 1 3 241.423 1.791 10 0 BDAEHO CCCN1CCN([C@H](CC)C[NH2+]C2CC2)CC1 ZINC000052421775 169203817 /nfs/dbraw/zinc/20/38/17/169203817.db2.gz UYFZPRPZVMKANY-CQSZACIVSA-N 1 3 239.407 1.545 10 0 BDAEHO CCC[NH2+]CCCCN1CCN(CCC)CC1 ZINC000052421713 169257469 /nfs/dbraw/zinc/25/74/69/169257469.db2.gz PPEPVSXCIOQDCD-UHFFFAOYSA-N 1 3 241.423 1.794 10 0 BDAEHO c1cc(C2CC[NH2+]CC2)cc2c1CNC2 ZINC000066354436 183366777 /nfs/dbraw/zinc/36/67/77/183366777.db2.gz RWOIIKQFIFMQHU-UHFFFAOYSA-N 1 3 202.301 1.757 10 0 BDAEHO CCC[NH2+]C[C@H]1CC[C@@H](COCCN(C)C)O1 ZINC000052669856 169264953 /nfs/dbraw/zinc/26/49/53/169264953.db2.gz AJLSMPHHPIPJDX-OLZOCXBDSA-N 1 3 244.379 1.112 10 0 BDAEHO CCC[NH2+]Cc1cnc(CCN(C)C)s1 ZINC000082418194 169268870 /nfs/dbraw/zinc/26/88/70/169268870.db2.gz HBBIHLRZPXOTSS-UHFFFAOYSA-N 1 3 227.377 1.747 10 0 BDAEHO CCCNCc1csc(CC[NH+](C)C)n1 ZINC000082688172 169269549 /nfs/dbraw/zinc/26/95/49/169269549.db2.gz ZSJTYRYXNXGEJP-UHFFFAOYSA-N 1 3 227.377 1.747 10 0 BDAEHO CCC[NH2+][C@@H](C)CCN1CCN(C)C(C)(C)C1 ZINC000104127156 169274370 /nfs/dbraw/zinc/27/43/70/169274370.db2.gz JRTAFQGFZJGBGT-ZDUSSCGKSA-N 1 3 241.423 1.791 10 0 BDAEHO C[C@@H]1C[C@H](NC2=[NH+]CCS2)CCN1C ZINC000158710696 384127314 /nfs/dbraw/zinc/12/73/14/384127314.db2.gz LMCODEDACMHMAB-RKDXNWHRSA-N 1 3 213.350 1.162 10 0 BDAEHO CCC[C@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188736318 384203353 /nfs/dbraw/zinc/20/33/53/384203353.db2.gz KXLULBSGRILKJE-ZDUSSCGKSA-N 1 3 247.342 1.033 10 0 BDAEHO C[NH+](C)CCn1cccc1[C@@H](N)[C@H]1CCCO1 ZINC000011848805 384623859 /nfs/dbraw/zinc/62/38/59/384623859.db2.gz LFSUZAFAKHQISJ-CHWSQXEVSA-N 1 3 237.347 1.229 10 0 BDAEHO [NH3+][C@H]1CC[C@H](NCC(=O)c2ccco2)CC1 ZINC000100267948 384628097 /nfs/dbraw/zinc/62/80/97/384628097.db2.gz MMRZAZCGNYKUMD-AOOOYVTPSA-N 1 3 222.288 1.322 10 0 BDAEHO C[C@H](N[C@@H]1CSC1(C)C)[C@H]1CC[NH2+]C1 ZINC000306574757 384784072 /nfs/dbraw/zinc/78/40/72/384784072.db2.gz IOLXXFCIYCGRPR-LPEHRKFASA-N 1 3 214.378 1.468 10 0 BDAEHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@@H]1CCCO1 ZINC000183100036 385508247 /nfs/dbraw/zinc/50/82/47/385508247.db2.gz HUJJEEFBVASECJ-AVGNSLFASA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCO1 ZINC000183100036 385508251 /nfs/dbraw/zinc/50/82/51/385508251.db2.gz HUJJEEFBVASECJ-AVGNSLFASA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@H](NCC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCO1 ZINC000183100036 385508254 /nfs/dbraw/zinc/50/82/54/385508254.db2.gz HUJJEEFBVASECJ-AVGNSLFASA-N 1 3 226.364 1.628 10 0 BDAEHO CC[C@H](CN[C@@H]1CCC[NH2+]CC1)OC ZINC000308492669 386428238 /nfs/dbraw/zinc/42/82/38/386428238.db2.gz AKGOWLSFBBVFMC-GHMZBOCLSA-N 1 3 200.326 1.143 10 0 BDAEHO CCN(CCN[C@@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000519698311 386528068 /nfs/dbraw/zinc/52/80/68/386528068.db2.gz IKQOQUDQGYUGMU-STQMWFEESA-N 1 3 239.407 1.448 10 0 BDAEHO CCC[C@@H]1C[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000300387207 386592137 /nfs/dbraw/zinc/59/21/37/386592137.db2.gz PEJGGNSBLZWBIX-AGIUHOORSA-N 1 3 226.364 1.221 10 0 BDAEHO C[C@@H]1C[C@H](N[C@@H]2CC[C@@H]([NH3+])C2)CS1 ZINC000306895521 386532279 /nfs/dbraw/zinc/53/22/79/386532279.db2.gz MYAKUJJMFBMGIW-KYXWUPHJSA-N 1 3 200.351 1.350 10 0 BDAEHO [NH3+][C@H]1CO[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000575471501 387108125 /nfs/dbraw/zinc/10/81/25/387108125.db2.gz AJNRCPPSJUFWFV-CABCVRRESA-N 1 3 246.354 1.769 10 0 BDAEHO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCCNCC1 ZINC000393671724 387165869 /nfs/dbraw/zinc/16/58/69/387165869.db2.gz KBLDMFAZTLBCMN-LLVKDONJSA-N 1 3 228.380 1.515 10 0 BDAEHO CC(C)(O)C(C)(C)CN[C@@H]1CCC[NH2+]CC1 ZINC000393671724 387165878 /nfs/dbraw/zinc/16/58/78/387165878.db2.gz KBLDMFAZTLBCMN-LLVKDONJSA-N 1 3 228.380 1.515 10 0 BDAEHO CC(C)[C@H](C)N1C[C@@]2(C)C[NH2+]C[C@]2(C)C1 ZINC000536955026 387167297 /nfs/dbraw/zinc/16/72/97/387167297.db2.gz OLUWZHNGYGQWGX-YNEHKIRRSA-N 1 3 210.365 1.962 10 0 BDAEHO C[C@@H]1CSC[C@@H]1N1C[C@@H]([NH3+])C[C@@H]1C ZINC000575590164 387204420 /nfs/dbraw/zinc/20/44/20/387204420.db2.gz GIUXMMKZRFVOAA-KATARQTJSA-N 1 3 200.351 1.159 10 0 BDAEHO CCN1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2N)C1 ZINC000575601544 387358887 /nfs/dbraw/zinc/35/88/87/387358887.db2.gz HKRGHGVKRMLJMQ-RWMBFGLXSA-N 1 3 225.380 1.330 10 0 BDAEHO CCN1CCC[C@H](N[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000575601544 387358890 /nfs/dbraw/zinc/35/88/90/387358890.db2.gz HKRGHGVKRMLJMQ-RWMBFGLXSA-N 1 3 225.380 1.330 10 0 BDAEHO CSCCCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400446247 387343915 /nfs/dbraw/zinc/34/39/15/387343915.db2.gz POZRCNJARQLBKX-VHSXEESVSA-N 1 3 202.367 1.327 10 0 BDAEHO C[C@H](NC[C@H]1CC[C@@H](C)O1)[C@@H]1CCC[NH2+]C1 ZINC000516016508 387446983 /nfs/dbraw/zinc/44/69/83/387446983.db2.gz DMGIMSWPQGQJDT-YVECIDJPSA-N 1 3 226.364 1.532 10 0 BDAEHO C[C@@H](NC[C@H]1CC[C@@H](C)O1)[C@H]1CCC[NH2+]C1 ZINC000516016506 387448254 /nfs/dbraw/zinc/44/82/54/387448254.db2.gz DMGIMSWPQGQJDT-FVCCEPFGSA-N 1 3 226.364 1.532 10 0 BDAEHO [NH2+]=C(NO)[C@H]1CCN(Cc2ccccc2)C1 ZINC000575521485 387453001 /nfs/dbraw/zinc/45/30/01/387453001.db2.gz WZIHRXWSUNQVMQ-NSHDSACASA-N 1 3 219.288 1.465 10 0 BDAEHO CC1(C)CNCC[C@@H]1[NH2+]C1CSC1 ZINC000575546887 387633774 /nfs/dbraw/zinc/63/37/74/387633774.db2.gz WDJVCGYPVDDTAL-VIFPVBQESA-N 1 3 200.351 1.080 10 0 BDAEHO CCC[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)OC ZINC000643491489 387893137 /nfs/dbraw/zinc/89/31/37/387893137.db2.gz NBIZAHYWVGJOTL-JHJVBQTASA-N 1 3 228.380 1.779 10 0 BDAEHO C[C@H]([NH2+]CC1(CO)CCC1)[C@@H]1CCCNC1 ZINC000643480620 387936555 /nfs/dbraw/zinc/93/65/55/387936555.db2.gz IBQXRAVOAAXYBA-NWDGAFQWSA-N 1 3 226.364 1.127 10 0 BDAEHO C[C@H](NCC1(CO)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000643480620 387936558 /nfs/dbraw/zinc/93/65/58/387936558.db2.gz IBQXRAVOAAXYBA-NWDGAFQWSA-N 1 3 226.364 1.127 10 0 BDAEHO Cc1ccc(CCN[C@@H](C)[C@@H]2CC[NH2+]C2)nc1 ZINC000423161263 387942986 /nfs/dbraw/zinc/94/29/86/387942986.db2.gz INKRFJZRKHXGFZ-QWHCGFSZSA-N 1 3 233.359 1.520 10 0 BDAEHO CC1(C)SC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN ZINC000393835773 388444291 /nfs/dbraw/zinc/44/42/91/388444291.db2.gz ODTQRYQRTOAUTJ-DCAQKATOSA-N 1 3 228.405 1.988 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000393835773 388444294 /nfs/dbraw/zinc/44/42/94/388444294.db2.gz ODTQRYQRTOAUTJ-DCAQKATOSA-N 1 3 228.405 1.988 10 0 BDAEHO CCCCOCCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000573082344 388419029 /nfs/dbraw/zinc/41/90/29/388419029.db2.gz RUMHNZWUZDGMAN-OLZOCXBDSA-N 1 3 228.380 1.781 10 0 BDAEHO CCCCOCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000573082344 388419031 /nfs/dbraw/zinc/41/90/31/388419031.db2.gz RUMHNZWUZDGMAN-OLZOCXBDSA-N 1 3 228.380 1.781 10 0 BDAEHO C[C@H](N[C@@H]1CCCSC1)[C@@H]1CC[NH2+]C1 ZINC000307227390 388422518 /nfs/dbraw/zinc/42/25/18/388422518.db2.gz DLKPQKAYOJNJCX-HBNTYKKESA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000307513246 388424813 /nfs/dbraw/zinc/42/48/13/388424813.db2.gz YSOWIHGUSLBKBL-GMTAPVOTSA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@@H]1CSC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000307513246 388424814 /nfs/dbraw/zinc/42/48/14/388424814.db2.gz YSOWIHGUSLBKBL-GMTAPVOTSA-N 1 3 214.378 1.470 10 0 BDAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NCC2=CCCOC2)C1 ZINC000245708387 388600961 /nfs/dbraw/zinc/60/09/61/388600961.db2.gz YSTANZRNDZXVRM-GXTWGEPZSA-N 1 3 238.375 1.651 10 0 BDAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NCC2=CCCOC2)C1 ZINC000245708387 388600962 /nfs/dbraw/zinc/60/09/62/388600962.db2.gz YSTANZRNDZXVRM-GXTWGEPZSA-N 1 3 238.375 1.651 10 0 BDAEHO C[C@H]([NH2+]CC(C)(C)CCCO)[C@H]1CCCNC1 ZINC000566091065 388986943 /nfs/dbraw/zinc/98/69/43/388986943.db2.gz YVNJCUPTJWSLPV-STQMWFEESA-N 1 3 242.407 1.763 10 0 BDAEHO C[C@@H](NCC1(N(C)C)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400515198 533360759 /nfs/dbraw/zinc/36/07/59/533360759.db2.gz KJGSXJWNPURUCF-VXGBXAGGSA-N 1 3 225.380 1.058 10 0 BDAEHO COc1ccc(CCN[C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400332645 533499719 /nfs/dbraw/zinc/49/97/19/533499719.db2.gz FERAYDFBSGGPIR-GXTWGEPZSA-N 1 3 248.370 1.825 10 0 BDAEHO CN(C[C@H](O)C(C)(C)C)C[C@@H]1CC[N@H+](C)C1 ZINC000070823127 135012794 /nfs/dbraw/zinc/01/27/94/135012794.db2.gz QRFLDTMKYYXGQU-NEPJUHHUSA-N 1 3 228.380 1.277 10 0 BDAEHO CN(C[C@H](O)C(C)(C)C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070823127 135012797 /nfs/dbraw/zinc/01/27/97/135012797.db2.gz QRFLDTMKYYXGQU-NEPJUHHUSA-N 1 3 228.380 1.277 10 0 BDAEHO CCC1(CNC[C@@H](C)[NH2+]C)CCOCC1 ZINC000261531652 135160535 /nfs/dbraw/zinc/16/05/35/135160535.db2.gz HKCSOOLLNQVJIN-LLVKDONJSA-N 1 3 214.353 1.391 10 0 BDAEHO CCC1(CNC[C@H](C)[NH2+]C)CCOCC1 ZINC000261531653 135161260 /nfs/dbraw/zinc/16/12/60/135161260.db2.gz HKCSOOLLNQVJIN-NSHDSACASA-N 1 3 214.353 1.391 10 0 BDAEHO CC1(C)CN(C[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261535935 135170658 /nfs/dbraw/zinc/17/06/58/135170658.db2.gz PSYRUYYZQBUXTL-MNOVXSKESA-N 1 3 212.337 1.082 10 0 BDAEHO CC1(C)C[N@H+](CC[C@H]2CCCO2)CC[C@@H]1N ZINC000261590925 135230882 /nfs/dbraw/zinc/23/08/82/135230882.db2.gz UVZHJOORZWTQGQ-NEPJUHHUSA-N 1 3 226.364 1.615 10 0 BDAEHO CC1(C)C[N@@H+](CC[C@H]2CCCO2)CC[C@@H]1N ZINC000261590925 135230884 /nfs/dbraw/zinc/23/08/84/135230884.db2.gz UVZHJOORZWTQGQ-NEPJUHHUSA-N 1 3 226.364 1.615 10 0 BDAEHO CC[C@@H]1CCC[C@H](NC[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000262176362 135283695 /nfs/dbraw/zinc/28/36/95/135283695.db2.gz VZEHTXYUWAAMSS-NDBYEHHHSA-N 1 3 226.364 1.125 10 0 BDAEHO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CNC[C@@H]2O)C1 ZINC000262176362 135283696 /nfs/dbraw/zinc/28/36/96/135283696.db2.gz VZEHTXYUWAAMSS-NDBYEHHHSA-N 1 3 226.364 1.125 10 0 BDAEHO CCC1CCC(NC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263142405 135335727 /nfs/dbraw/zinc/33/57/27/135335727.db2.gz CLLOFFVUQYQCCC-PYNQCMFNSA-N 1 3 226.364 1.125 10 0 BDAEHO CCC1CCC([NH2+]C[C@@H]2CNC[C@H]2O)CC1 ZINC000263142405 135335728 /nfs/dbraw/zinc/33/57/28/135335728.db2.gz CLLOFFVUQYQCCC-PYNQCMFNSA-N 1 3 226.364 1.125 10 0 BDAEHO CC1(C)CCC(CNC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263150634 135335840 /nfs/dbraw/zinc/33/58/40/135335840.db2.gz DASDEVHILWRTJM-STQMWFEESA-N 1 3 240.391 1.373 10 0 BDAEHO CC1(C)CCC(C[NH2+]C[C@H]2CNC[C@@H]2O)CC1 ZINC000263150634 135335841 /nfs/dbraw/zinc/33/58/41/135335841.db2.gz DASDEVHILWRTJM-STQMWFEESA-N 1 3 240.391 1.373 10 0 BDAEHO CC[C@@H]1CCC[C@H](CNC[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000263205609 135339139 /nfs/dbraw/zinc/33/91/39/135339139.db2.gz JQDFDNOIJXMAQX-ZOBORPQBSA-N 1 3 240.391 1.373 10 0 BDAEHO CC[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CNC[C@H]2O)C1 ZINC000263205609 135339141 /nfs/dbraw/zinc/33/91/41/135339141.db2.gz JQDFDNOIJXMAQX-ZOBORPQBSA-N 1 3 240.391 1.373 10 0 BDAEHO CC(C)C1CCC(NC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263315534 135346087 /nfs/dbraw/zinc/34/60/87/135346087.db2.gz ZKGRMLJQJPBJRM-HHTDUIENSA-N 1 3 240.391 1.371 10 0 BDAEHO CC(C)C1CCC([NH2+]C[C@H]2CNC[C@@H]2O)CC1 ZINC000263315534 135346088 /nfs/dbraw/zinc/34/60/88/135346088.db2.gz ZKGRMLJQJPBJRM-HHTDUIENSA-N 1 3 240.391 1.371 10 0 BDAEHO C[C@H](O)[C@@H]1CCN(CCC[NH+]2CCCC2)C1 ZINC000166116555 136073971 /nfs/dbraw/zinc/07/39/71/136073971.db2.gz SETXOWGPMPTXDC-QWHCGFSZSA-N 1 3 226.364 1.175 10 0 BDAEHO C[C@H](NCCc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000564825400 398045861 /nfs/dbraw/zinc/04/58/61/398045861.db2.gz CYCNMEPNJVVOBH-NWDGAFQWSA-N 1 3 222.332 1.800 10 0 BDAEHO C[C@H]([NH2+]CCc1ccco1)[C@@H]1CCCNC1 ZINC000564825400 398045864 /nfs/dbraw/zinc/04/58/64/398045864.db2.gz CYCNMEPNJVVOBH-NWDGAFQWSA-N 1 3 222.332 1.800 10 0 BDAEHO CC(C)[C@@H](N)C[N@@H+]1CCCSCC1 ZINC000042444878 398015700 /nfs/dbraw/zinc/01/57/00/398015700.db2.gz TXWCIAFSQVRKLS-JTQLQIEISA-N 1 3 202.367 1.409 10 0 BDAEHO CC(C)[C@@H](N)C[N@H+]1CCCSCC1 ZINC000042444878 398015703 /nfs/dbraw/zinc/01/57/03/398015703.db2.gz TXWCIAFSQVRKLS-JTQLQIEISA-N 1 3 202.367 1.409 10 0 BDAEHO CC(C)C[NH2+]CC(C)(C)CN1CCC[C@H]1CO ZINC000051254897 167003852 /nfs/dbraw/zinc/00/38/52/167003852.db2.gz PDAMWORFFSFFCC-ZDUSSCGKSA-N 1 3 242.407 1.715 10 0 BDAEHO CC(C)[NH2+]C[C@H](C)OC1CCN(C)CC1 ZINC000052596499 167114063 /nfs/dbraw/zinc/11/40/63/167114063.db2.gz MHRWMIWXIQDLJH-NSHDSACASA-N 1 3 214.353 1.484 10 0 BDAEHO CC1CCC([N@H+](C)CCNCCN(C)C)CC1 ZINC000053443407 168158724 /nfs/dbraw/zinc/15/87/24/168158724.db2.gz SQASNVSKWIATFH-UHFFFAOYSA-N 1 3 241.423 1.648 10 0 BDAEHO CC1CCC([N@@H+](C)CCNCCN(C)C)CC1 ZINC000053443407 168158725 /nfs/dbraw/zinc/15/87/25/168158725.db2.gz SQASNVSKWIATFH-UHFFFAOYSA-N 1 3 241.423 1.648 10 0 BDAEHO CC1CC[NH+]([C@@]2(CN)CCN(C3CC3)C2)CC1 ZINC000061989991 168186932 /nfs/dbraw/zinc/18/69/32/168186932.db2.gz WERWPKIPKDOBAW-CQSZACIVSA-N 1 3 237.391 1.284 10 0 BDAEHO CCN1CC[C@@H](CNC2=[NH+]CCCS2)C1 ZINC000037484490 170008211 /nfs/dbraw/zinc/00/82/11/170008211.db2.gz DVUBUEBHAOAJBF-JTQLQIEISA-N 1 3 227.377 1.411 10 0 BDAEHO CC[NH2+]C[C@@H](C)CN(C)[C@@H]1CCSC1 ZINC000052453088 170118713 /nfs/dbraw/zinc/11/87/13/170118713.db2.gz JOHYVQVDELAIGX-GHMZBOCLSA-N 1 3 216.394 1.669 10 0 BDAEHO CC[NH2+]C[C@@H]1CCCCN1CCN(C)C ZINC000053650776 170120082 /nfs/dbraw/zinc/12/00/82/170120082.db2.gz WVXWPAYTYFNVFJ-LBPRGKRZSA-N 1 3 213.369 1.012 10 0 BDAEHO CC[NH2+]C[C@H](C)CN1CCN(C)C(C)(C)C1 ZINC000082485189 170122137 /nfs/dbraw/zinc/12/21/37/170122137.db2.gz FALKZLXNFVXZAZ-LBPRGKRZSA-N 1 3 227.396 1.258 10 0 BDAEHO CC[NH2+][C@H](C)[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055079191 170158441 /nfs/dbraw/zinc/15/84/41/170158441.db2.gz HQBDNAVHWCVYEK-ZIAGYGMSSA-N 1 3 241.423 1.647 10 0 BDAEHO CC[C@@H]1CN(CC[C@@H]2CCCC[NH2+]2)CCN1C ZINC000104144231 171082702 /nfs/dbraw/zinc/08/27/02/171082702.db2.gz XYROLLUXZHRBHW-UONOGXRCSA-N 1 3 239.407 1.545 10 0 BDAEHO CC[C@@](C)(C[NH3+])CN1CCCO[C@H](C)C1 ZINC000061934211 171166713 /nfs/dbraw/zinc/16/67/13/171166713.db2.gz JFRDXUCEWNIZSW-NEPJUHHUSA-N 1 3 214.353 1.472 10 0 BDAEHO CC[C@@](C)(CN)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061934211 171166714 /nfs/dbraw/zinc/16/67/14/171166714.db2.gz JFRDXUCEWNIZSW-NEPJUHHUSA-N 1 3 214.353 1.472 10 0 BDAEHO CC[C@@](C)(CN)C[N@H+]1CCCO[C@H](C)C1 ZINC000061934211 171166716 /nfs/dbraw/zinc/16/67/16/171166716.db2.gz JFRDXUCEWNIZSW-NEPJUHHUSA-N 1 3 214.353 1.472 10 0 BDAEHO CC[C@@](C)(CNC)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763319 171167264 /nfs/dbraw/zinc/16/72/64/171167264.db2.gz ZZLZISZZWVKPSX-KGLIPLIRSA-N 1 3 242.407 1.859 10 0 BDAEHO CC[C@@](C)(CNC)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763319 171167265 /nfs/dbraw/zinc/16/72/65/171167265.db2.gz ZZLZISZZWVKPSX-KGLIPLIRSA-N 1 3 242.407 1.859 10 0 BDAEHO CC[C@H](C)N1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000055066824 171318856 /nfs/dbraw/zinc/31/88/56/171318856.db2.gz DOHHJNPVDPVRIO-STQMWFEESA-N 1 3 225.380 1.155 10 0 BDAEHO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000049557554 171334417 /nfs/dbraw/zinc/33/44/17/171334417.db2.gz JMZUGUZEFZFICO-SRVKXCTJSA-N 1 3 243.395 1.219 10 0 BDAEHO CC[C@@H]([NH2+]C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000662493899 412193992 /nfs/dbraw/zinc/19/39/92/412193992.db2.gz SXFUDOYHYHOIQB-VXGBXAGGSA-N 1 3 243.395 1.077 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@H]1CCC[C@H]2C[C@H]21 ZINC000665263401 412205640 /nfs/dbraw/zinc/20/56/40/412205640.db2.gz LSZZCEDEHGNAGK-DMDPSCGWSA-N 1 3 208.349 1.764 10 0 BDAEHO C[C@@H](NCCc1ccoc1)[C@@H]1CCC[NH2+]C1 ZINC000665263506 412207221 /nfs/dbraw/zinc/20/72/21/412207221.db2.gz NPEWZSQROQEMNO-DGCLKSJQSA-N 1 3 222.332 1.800 10 0 BDAEHO CO[C@@H](CN[C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000665276159 412219507 /nfs/dbraw/zinc/21/95/07/412219507.db2.gz ZKMWSFYBJDILEC-KGLIPLIRSA-N 1 3 240.391 1.923 10 0 BDAEHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623406 412246099 /nfs/dbraw/zinc/24/60/99/412246099.db2.gz XRVDLKJHCYOAEI-MNOVXSKESA-N 1 3 241.379 1.103 10 0 BDAEHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623406 412246101 /nfs/dbraw/zinc/24/61/01/412246101.db2.gz XRVDLKJHCYOAEI-MNOVXSKESA-N 1 3 241.379 1.103 10 0 BDAEHO C[NH+]1CCC([C@@H](N)c2ccccn2)CC1 ZINC000077299181 173000248 /nfs/dbraw/zinc/00/02/48/173000248.db2.gz AXBMKXMHLHZHPA-GFCCVEGCSA-N 1 3 205.305 1.423 10 0 BDAEHO CN(C)C(C)(C)C[NH2+]CC[C@H]1CCCCN1C ZINC000049856310 173005314 /nfs/dbraw/zinc/00/53/14/173005314.db2.gz PXJDLSCONJYKLF-CYBMUJFWSA-N 1 3 241.423 1.791 10 0 BDAEHO CN1CCCN(CC[NH2+]CC2CCCC2)CC1 ZINC000053344922 173014631 /nfs/dbraw/zinc/01/46/31/173014631.db2.gz MDWWKHCLMRSUKL-UHFFFAOYSA-N 1 3 239.407 1.404 10 0 BDAEHO CN1CCCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000020593524 173014890 /nfs/dbraw/zinc/01/48/90/173014890.db2.gz WBYPICAMVHACFI-ZDUSSCGKSA-N 1 3 225.380 1.156 10 0 BDAEHO CN1CCC[N@@H+]([C@@H](CN)CC(C)(C)C)CC1 ZINC000061839713 173016974 /nfs/dbraw/zinc/01/69/74/173016974.db2.gz CQGVXVHZOYDTLK-GFCCVEGCSA-N 1 3 227.396 1.387 10 0 BDAEHO CN1CCC[N@H+]([C@@H](CN)CC(C)(C)C)CC1 ZINC000061839713 173016975 /nfs/dbraw/zinc/01/69/75/173016975.db2.gz CQGVXVHZOYDTLK-GFCCVEGCSA-N 1 3 227.396 1.387 10 0 BDAEHO CN1CCC[C@H](CNC2=[NH+]CCCS2)C1 ZINC000044538294 173041258 /nfs/dbraw/zinc/04/12/58/173041258.db2.gz FXPQYMINNYZHQK-SNVBAGLBSA-N 1 3 227.377 1.411 10 0 BDAEHO CN1CCC[C@H]([N@H+](C)[C@@H](CN)C2CCCC2)C1 ZINC000053206119 173045184 /nfs/dbraw/zinc/04/51/84/173045184.db2.gz DABJXFDEKCZSLM-KBPBESRZSA-N 1 3 239.407 1.530 10 0 BDAEHO CN1CCC[C@H]([N@@H+](C)[C@@H](CN)C2CCCC2)C1 ZINC000053206119 173045186 /nfs/dbraw/zinc/04/51/86/173045186.db2.gz DABJXFDEKCZSLM-KBPBESRZSA-N 1 3 239.407 1.530 10 0 BDAEHO CN1CCC[C@H]1CC(=O)C[C@@H]1CCC[N@@H+]1C ZINC000004097178 173051179 /nfs/dbraw/zinc/05/11/79/173051179.db2.gz ZEBIACKKLGVLFZ-RYUDHWBXSA-N 1 3 224.348 1.524 10 0 endogenous,in-man BDAEHO CN1CCC[C@H]1CC(=O)C[C@@H]1CCC[N@H+]1C ZINC000004097178 173051182 /nfs/dbraw/zinc/05/11/82/173051182.db2.gz ZEBIACKKLGVLFZ-RYUDHWBXSA-N 1 3 224.348 1.524 10 0 endogenous,in-man BDAEHO CN1CC[C@@H](C[N@H+](C)C[C@@H](O)c2ccccc2)C1 ZINC000221350134 173113168 /nfs/dbraw/zinc/11/31/68/173113168.db2.gz GSMUOOFCEJQIFU-UKRRQHHQSA-N 1 3 248.370 1.604 10 0 BDAEHO CN1CC[C@@H](C[N@@H+](C)C[C@@H](O)c2ccccc2)C1 ZINC000221350134 173113173 /nfs/dbraw/zinc/11/31/73/173113173.db2.gz GSMUOOFCEJQIFU-UKRRQHHQSA-N 1 3 248.370 1.604 10 0 BDAEHO CN1CC[C@H]([NH2+]CC[C@@H]2CCCCN2C)C1 ZINC000052205873 173151560 /nfs/dbraw/zinc/15/15/60/173151560.db2.gz GBUSRENRHXZMSQ-STQMWFEESA-N 1 3 225.380 1.155 10 0 BDAEHO CNCC1(C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC000052182207 173337458 /nfs/dbraw/zinc/33/74/58/173337458.db2.gz FVUWHMIHOPMHJL-LBPRGKRZSA-N 1 3 226.364 1.344 10 0 BDAEHO CNCC1(C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC000052182207 173337459 /nfs/dbraw/zinc/33/74/59/173337459.db2.gz FVUWHMIHOPMHJL-LBPRGKRZSA-N 1 3 226.364 1.344 10 0 BDAEHO C[NH2+]CC1(CN2CC[C@H](C)C2)CCOCC1 ZINC000052182207 173337461 /nfs/dbraw/zinc/33/74/61/173337461.db2.gz FVUWHMIHOPMHJL-LBPRGKRZSA-N 1 3 226.364 1.344 10 0 BDAEHO COCCN(C)C[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000053971835 174279828 /nfs/dbraw/zinc/27/98/28/174279828.db2.gz PHBRIUHVNBYQGQ-JSGCOSHPSA-N 1 3 236.359 1.901 10 0 BDAEHO COCC[N@H+](C)C[C@H](C)[C@H](N)c1ccccc1 ZINC000053971835 174279829 /nfs/dbraw/zinc/27/98/29/174279829.db2.gz PHBRIUHVNBYQGQ-JSGCOSHPSA-N 1 3 236.359 1.901 10 0 BDAEHO COCC[N@@H+](C)C[C@H](C)[C@H](N)c1ccccc1 ZINC000053971835 174279830 /nfs/dbraw/zinc/27/98/30/174279830.db2.gz PHBRIUHVNBYQGQ-JSGCOSHPSA-N 1 3 236.359 1.901 10 0 BDAEHO COCC[N@H+]([C@@H](C)C1CC1)[C@@H]1CCC[C@@H]1CN ZINC000042614424 174301992 /nfs/dbraw/zinc/30/19/92/174301992.db2.gz MOEAILRIQYRNIK-IACUBPJLSA-N 1 3 240.391 1.861 10 0 BDAEHO COCC[N@@H+]([C@@H](C)C1CC1)[C@@H]1CCC[C@@H]1CN ZINC000042614424 174301994 /nfs/dbraw/zinc/30/19/94/174301994.db2.gz MOEAILRIQYRNIK-IACUBPJLSA-N 1 3 240.391 1.861 10 0 BDAEHO COCC[NH2+]CCCN1CCCC[C@H]1C ZINC000020047931 174332748 /nfs/dbraw/zinc/33/27/48/174332748.db2.gz QLAJUIWPUUGMPE-GFCCVEGCSA-N 1 3 214.353 1.487 10 0 BDAEHO COCCNCc1ccccc1C[NH+](C)C ZINC000045206628 174336081 /nfs/dbraw/zinc/33/60/81/174336081.db2.gz XUXIVWXUAACONL-UHFFFAOYSA-N 1 3 222.332 1.484 10 0 BDAEHO COc1ccc(CC[NH3+])cc1OCCN(C)C ZINC000011887512 175090327 /nfs/dbraw/zinc/09/03/27/175090327.db2.gz DIXFQQUWXQZXFJ-UHFFFAOYSA-N 1 3 238.331 1.137 10 0 BDAEHO COc1ccccc1C[C@H](C[NH3+])CN1CCCC1 ZINC000011800175 175334170 /nfs/dbraw/zinc/33/41/70/175334170.db2.gz KSKRIOFBSSLSAL-CYBMUJFWSA-N 1 3 248.370 1.908 10 0 BDAEHO C[C@@H](c1cnccn1)N(C)CC1CC[NH2+]CC1 ZINC000094010855 176035418 /nfs/dbraw/zinc/03/54/18/176035418.db2.gz KSWDIRNDULNFOB-NSHDSACASA-N 1 3 234.347 1.469 10 0 BDAEHO C[C@@H]1CCCN1[C@]1(C[NH3+])CCSC1 ZINC000037910489 176111409 /nfs/dbraw/zinc/11/14/09/176111409.db2.gz ZTBWPZHMBGLQJR-ZJUUUORDSA-N 1 3 200.351 1.305 10 0 BDAEHO C[C@@H]1CC[C@H]([NH3+])[C@H](CN2CCN(C)[C@H](C)C2)C1 ZINC000104141703 176229472 /nfs/dbraw/zinc/22/94/72/176229472.db2.gz UYQMIQGFIXGAPH-MQYQWHSLSA-N 1 3 239.407 1.386 10 0 BDAEHO C[C@H](CN1CCCCC1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400361767 225097781 /nfs/dbraw/zinc/09/77/81/225097781.db2.gz QHEDAYRDLOOGHW-MCIONIFRSA-N 1 3 239.407 1.448 10 0 BDAEHO CO[C@@H]([C@H](C)N[C@@H](C)[C@H]1CC[NH2+]C1)C1CC1 ZINC000400757449 226351379 /nfs/dbraw/zinc/35/13/79/226351379.db2.gz XIOIEPAHUXNBSE-UKJIMTQDSA-N 1 3 226.364 1.388 10 0 BDAEHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000251089318 487748455 /nfs/dbraw/zinc/74/84/55/487748455.db2.gz IBSRATGDTRWXRI-RVMXOQNASA-N 1 3 226.364 1.397 10 0 BDAEHO Cc1cccc(CCN[C@@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000415108327 487809813 /nfs/dbraw/zinc/80/98/13/487809813.db2.gz PWQZQVGFHDRREY-STQMWFEESA-N 1 3 233.359 1.520 10 0 BDAEHO C[C@H](CO)CCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000562959452 323035325 /nfs/dbraw/zinc/03/53/25/323035325.db2.gz QFKGYGCSPYZGQY-AVGNSLFASA-N 1 3 228.380 1.373 10 0 BDAEHO Cc1ccc(CCN[C@H](C)[C@H]2CC[NH2+]C2)o1 ZINC000568618524 326367622 /nfs/dbraw/zinc/36/76/22/326367622.db2.gz KTKISMTVBFQRPO-NEPJUHHUSA-N 1 3 222.332 1.718 10 0 BDAEHO CCCN1CC[C@H](N[C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400756221 487987491 /nfs/dbraw/zinc/98/74/91/487987491.db2.gz XAMYSXOPQAWTNH-UPJWGTAASA-N 1 3 225.380 1.058 10 0 BDAEHO C(C[C@@H]1CCCO1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000127996679 490567608 /nfs/dbraw/zinc/56/76/08/490567608.db2.gz XSNCLKOMIIAARE-RDBSUJKOSA-N 1 3 238.375 1.772 10 0 BDAEHO C(C[C@@H]1CCCO1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000127996679 490567613 /nfs/dbraw/zinc/56/76/13/490567613.db2.gz XSNCLKOMIIAARE-RDBSUJKOSA-N 1 3 238.375 1.772 10 0 BDAEHO COC[C@@H](C)[N@H+]1CCCC12CCNCC2 ZINC000757125549 582500912 /nfs/dbraw/zinc/50/09/12/582500912.db2.gz DZJACDSPBHPFAK-LLVKDONJSA-N 1 3 212.337 1.239 10 0 BDAEHO COC[C@H](C)C[N@@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757134870 582512911 /nfs/dbraw/zinc/51/29/11/582512911.db2.gz XFELTDUEADGMFW-MCIONIFRSA-N 1 3 240.391 1.875 10 0 BDAEHO COC[C@H](C)C[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757134870 582512913 /nfs/dbraw/zinc/51/29/13/582512913.db2.gz XFELTDUEADGMFW-MCIONIFRSA-N 1 3 240.391 1.875 10 0 BDAEHO COC[C@H](C)CN1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757134870 582512915 /nfs/dbraw/zinc/51/29/15/582512915.db2.gz XFELTDUEADGMFW-MCIONIFRSA-N 1 3 240.391 1.875 10 0 BDAEHO CC[C@@]1(C)CCO[C@]2(CCC[N@H+](C)CC2)N1 ZINC000757146342 582529626 /nfs/dbraw/zinc/52/96/26/582529626.db2.gz KOOCTDPSEOUFND-STQMWFEESA-N 1 3 226.364 1.977 10 0 BDAEHO CC[C@@]1(C)CCO[C@]2(CCC[N@@H+](C)CC2)N1 ZINC000757146342 582529628 /nfs/dbraw/zinc/52/96/28/582529628.db2.gz KOOCTDPSEOUFND-STQMWFEESA-N 1 3 226.364 1.977 10 0 BDAEHO CC[C@@]1(C)CCO[C@]2(CCCN(C)CC2)[NH2+]1 ZINC000757146342 582529630 /nfs/dbraw/zinc/52/96/30/582529630.db2.gz KOOCTDPSEOUFND-STQMWFEESA-N 1 3 226.364 1.977 10 0 BDAEHO C[N@@H+]1CCC[C@@]2(CC1)N[C@@H](C1CC1)CCO2 ZINC000757148894 582532849 /nfs/dbraw/zinc/53/28/49/582532849.db2.gz VXGAIEHOKOACTK-CHWSQXEVSA-N 1 3 224.348 1.587 10 0 BDAEHO C[N@H+]1CCC[C@@]2(CC1)N[C@@H](C1CC1)CCO2 ZINC000757148894 582532850 /nfs/dbraw/zinc/53/28/50/582532850.db2.gz VXGAIEHOKOACTK-CHWSQXEVSA-N 1 3 224.348 1.587 10 0 BDAEHO CN1CCC[C@@]2(CC1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757148894 582532851 /nfs/dbraw/zinc/53/28/51/582532851.db2.gz VXGAIEHOKOACTK-CHWSQXEVSA-N 1 3 224.348 1.587 10 0 BDAEHO C[C@H](NC[C@H](O)CC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400560219 533900693 /nfs/dbraw/zinc/90/06/93/533900693.db2.gz HOZHGRVIBKGHKH-QJPTWQEYSA-N 1 3 228.380 1.371 10 0 BDAEHO CS[C@H](C)CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400466437 534060202 /nfs/dbraw/zinc/06/02/02/534060202.db2.gz WDQDFRSBTLUILK-OPRDCNLKSA-N 1 3 202.367 1.326 10 0 BDAEHO CCC(O)(CC)CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400336795 528976315 /nfs/dbraw/zinc/97/63/15/528976315.db2.gz DNUXVMHXSBENIX-MNOVXSKESA-N 1 3 214.353 1.125 10 0 BDAEHO CCSCCCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400509335 529178259 /nfs/dbraw/zinc/17/82/59/529178259.db2.gz ITSVFCZNSQHBOU-WDEREUQCSA-N 1 3 216.394 1.717 10 0 BDAEHO COC[C@@H](C)[N@@H+]1CCCC12CCNCC2 ZINC000757125549 582500911 /nfs/dbraw/zinc/50/09/11/582500911.db2.gz DZJACDSPBHPFAK-LLVKDONJSA-N 1 3 212.337 1.239 10 0 BDAEHO CC(C)[C@@H]1[NH2+]C2(CCNCC2)OCC1(C)C ZINC000757152695 582537362 /nfs/dbraw/zinc/53/73/62/582537362.db2.gz TZFIIFARCDWCDW-NSHDSACASA-N 1 3 226.364 1.737 10 0 BDAEHO Nc1ccc([C@H]2CCC[NH2+]C2)c2c1CNCC2 ZINC000757209335 586438202 /nfs/dbraw/zinc/43/82/02/586438202.db2.gz DQCPEBQGAVLMDH-JTQLQIEISA-N 1 3 231.343 1.382 10 0 BDAEHO CC(=O)c1ccc([C@@H]2C[NH2+]C[C@@H](CN)C2)cc1 ZINC000757214180 586440483 /nfs/dbraw/zinc/44/04/83/586440483.db2.gz LNCOSNKVFZMPIU-RISCZKNCSA-N 1 3 232.327 1.541 10 0 BDAEHO CC(=O)c1ccc([C@@H]2CNC[C@@H](C[NH3+])C2)cc1 ZINC000757214180 586440484 /nfs/dbraw/zinc/44/04/84/586440484.db2.gz LNCOSNKVFZMPIU-RISCZKNCSA-N 1 3 232.327 1.541 10 0 BDAEHO Nc1cccc([C@H]2NCCC[C@H]2C[NH3+])c1 ZINC000757215381 586440873 /nfs/dbraw/zinc/44/08/73/586440873.db2.gz NIFAOGOMKGNTLC-CMPLNLGQSA-N 1 3 205.305 1.268 10 0 BDAEHO [NH3+]C[C@H]1CCN[C@@H](c2ccc(C=O)s2)C1 ZINC000757218139 586441895 /nfs/dbraw/zinc/44/18/95/586441895.db2.gz UCXXZXRPNIWGCD-WCBMZHEXSA-N 1 3 224.329 1.560 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1CC[C@@H](N)[C@H](C)[NH2+]1 ZINC000757238627 586444425 /nfs/dbraw/zinc/44/44/25/586444425.db2.gz TUCMGAYHAHLQQB-BIMULSAOSA-N 1 3 219.332 1.718 10 0 BDAEHO C[C@H](N)[C@H]1CCCC[N@@H+]1C[C@@H]1CCCO1 ZINC000063195916 641144145 /nfs/dbraw/zinc/14/41/45/641144145.db2.gz SKQHSJQDLMYKCU-SDDRHHMPSA-N 1 3 212.337 1.367 10 0 BDAEHO C[C@H](N)[C@H]1CCCC[N@H+]1C[C@@H]1CCCO1 ZINC000063195916 641144150 /nfs/dbraw/zinc/14/41/50/641144150.db2.gz SKQHSJQDLMYKCU-SDDRHHMPSA-N 1 3 212.337 1.367 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1NCCC[C@@H]1C[NH3+] ZINC000757236368 643373849 /nfs/dbraw/zinc/37/38/49/643373849.db2.gz OJKAUUDKDVIIHE-ZWNOBZJWSA-N 1 3 219.332 1.577 10 0 BDAEHO C[C@H](NCCc1ccns1)[C@H]1CCC[NH2+]C1 ZINC000709985274 712237080 /nfs/dbraw/zinc/23/70/80/712237080.db2.gz SEZSAKXTZIXFHC-QWRGUYRKSA-N 1 3 239.388 1.663 10 0 BDAEHO COCC1CC(N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000713976392 712475673 /nfs/dbraw/zinc/47/56/73/712475673.db2.gz FJQPJWPNDMHTTK-HBIQZDMRSA-N 1 3 212.337 1.142 10 0 BDAEHO C([C@@H]1CCCO1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715014254 712504260 /nfs/dbraw/zinc/50/42/60/712504260.db2.gz UOHZXENCGOEMBW-FRRDWIJNSA-N 1 3 224.348 1.239 10 0 BDAEHO C[C@H](NC[C@H]1CCC(C)(C)CO1)[C@@H]1CC[NH2+]C1 ZINC000711248902 712291474 /nfs/dbraw/zinc/29/14/74/712291474.db2.gz JNWSUMCVKZNQGJ-YNEHKIRRSA-N 1 3 240.391 1.779 10 0 BDAEHO C(C[C@@H]1CC[C@H]2C[C@H]21)[NH2+]C1CCNCC1 ZINC000717023754 712605388 /nfs/dbraw/zinc/60/53/88/712605388.db2.gz GZQFOWVSRKIMPO-GVXVVHGQSA-N 1 3 208.349 1.764 10 0 BDAEHO CCN1CC[C@H]([NH3+])C12CCN(C1CC1)CC2 ZINC000685953825 538898876 /nfs/dbraw/zinc/89/88/76/538898876.db2.gz IVBUWOUOKKRUHF-LBPRGKRZSA-N 1 3 223.364 1.036 10 0 BDAEHO CCC(CC)(CNC1CC1)C[N@H+](C)C[C@@H](C)O ZINC000051840494 168324994 /nfs/dbraw/zinc/32/49/94/168324994.db2.gz BXFXIZHZRRPGMD-GFCCVEGCSA-N 1 3 242.407 1.857 10 0 BDAEHO CCC(CC)(CNC1CC1)C[N@@H+](C)C[C@@H](C)O ZINC000051840494 168324996 /nfs/dbraw/zinc/32/49/96/168324996.db2.gz BXFXIZHZRRPGMD-GFCCVEGCSA-N 1 3 242.407 1.857 10 0 BDAEHO C[C@@]1(C[NH2+][C@H]2CCCNCC2)CCOC1 ZINC000335034385 136214871 /nfs/dbraw/zinc/21/48/71/136214871.db2.gz QUPVPBHVJDPPHK-RYUDHWBXSA-N 1 3 212.337 1.145 10 0 BDAEHO C[C@@H]1CC[C@H](CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)O1 ZINC000381387444 398254996 /nfs/dbraw/zinc/25/49/96/398254996.db2.gz MNKXNYHXZRVWTF-NZEXEKPDSA-N 1 3 224.348 1.223 10 0 BDAEHO C[C@@H]1CC[C@H](CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)O1 ZINC000381387446 398255067 /nfs/dbraw/zinc/25/50/67/398255067.db2.gz MNKXNYHXZRVWTF-RXGFPQBGSA-N 1 3 224.348 1.223 10 0 BDAEHO Cc1ccc(C(N)=[NH2+])c(OC2CCN(C)CC2)c1 ZINC000051581375 178369428 /nfs/dbraw/zinc/36/94/28/178369428.db2.gz WRJJIGKCPFHAFN-UHFFFAOYSA-N 1 3 247.342 1.752 10 0 BDAEHO CN(C)C1(CNC2=[NH+]CCS2)CCC1 ZINC000165258527 342892570 /nfs/dbraw/zinc/89/25/70/342892570.db2.gz PEPJTILKXGXYDN-UHFFFAOYSA-N 1 3 213.350 1.163 10 0 BDAEHO C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@H]1CCCNC1 ZINC000562744792 323029778 /nfs/dbraw/zinc/02/97/78/323029778.db2.gz VZDDLNUCKDBIHK-RQJABVFESA-N 1 3 240.391 1.779 10 0 BDAEHO CC[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)C(C)(C)O ZINC000400425218 529666631 /nfs/dbraw/zinc/66/66/31/529666631.db2.gz YHKLFGGSOGHYAA-VWYCJHECSA-N 1 3 214.353 1.124 10 0 BDAEHO CC(C)(C)C(=O)CN1CCC(C[NH3+])CC1 ZINC000139170723 343788685 /nfs/dbraw/zinc/78/86/85/343788685.db2.gz BVOHYAYRWRIWGK-UHFFFAOYSA-N 1 3 212.337 1.272 10 0 BDAEHO COC[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000218547967 343793083 /nfs/dbraw/zinc/79/30/83/343793083.db2.gz QMHOARZNADZMJB-LLVKDONJSA-N 1 3 212.337 1.097 10 0 BDAEHO COC[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000218547967 343793086 /nfs/dbraw/zinc/79/30/86/343793086.db2.gz QMHOARZNADZMJB-LLVKDONJSA-N 1 3 212.337 1.097 10 0 BDAEHO COC[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000218547967 343793089 /nfs/dbraw/zinc/79/30/89/343793089.db2.gz QMHOARZNADZMJB-LLVKDONJSA-N 1 3 212.337 1.097 10 0 BDAEHO [NH3+]C[C@]12CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000409430127 343807744 /nfs/dbraw/zinc/80/77/44/343807744.db2.gz LIIHLGGEVZMUBJ-KGLIPLIRSA-N 1 3 216.328 1.857 10 0 BDAEHO NC[C@]12CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000409430127 343807746 /nfs/dbraw/zinc/80/77/46/343807746.db2.gz LIIHLGGEVZMUBJ-KGLIPLIRSA-N 1 3 216.328 1.857 10 0 BDAEHO NC[C@]12CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000409430127 343807747 /nfs/dbraw/zinc/80/77/47/343807747.db2.gz LIIHLGGEVZMUBJ-KGLIPLIRSA-N 1 3 216.328 1.857 10 0 BDAEHO CC(C)C[C@H]1CN(CCC[NH3+])CC[C@@H]1O ZINC000409435541 343833665 /nfs/dbraw/zinc/83/36/65/343833665.db2.gz VIWHNHDQQDTRCI-RYUDHWBXSA-N 1 3 214.353 1.064 10 0 BDAEHO [NH3+]CCCN1C[C@@H](c2ccccc2)[C@H](CO)C1 ZINC000409435971 343836752 /nfs/dbraw/zinc/83/67/52/343836752.db2.gz XMZWHHLUMFVWQA-KBPBESRZSA-N 1 3 234.343 1.043 10 0 BDAEHO C[C@@H]1SCC[C@H]1N1CCC[C@@H]1C[NH3+] ZINC000235368180 344894004 /nfs/dbraw/zinc/89/40/04/344894004.db2.gz ANSQGVABADWSBS-IVZWLZJFSA-N 1 3 200.351 1.304 10 0 BDAEHO COCC(C)(C)C[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000634999393 345200319 /nfs/dbraw/zinc/20/03/19/345200319.db2.gz UBAFIQWGPWAOTP-WDEREUQCSA-N 1 3 214.353 1.186 10 0 BDAEHO COCC(C)(C)C[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000634999393 345200321 /nfs/dbraw/zinc/20/03/21/345200321.db2.gz UBAFIQWGPWAOTP-WDEREUQCSA-N 1 3 214.353 1.186 10 0 BDAEHO C([NH2+][C@@H]1CCCNCC1)[C@H]1CCSC1 ZINC000228555317 345363990 /nfs/dbraw/zinc/36/39/90/345363990.db2.gz WXOCJGMGMVHACD-GHMZBOCLSA-N 1 3 214.378 1.471 10 0 BDAEHO CCCN(CC)Cc1cncc(C[NH3+])c1 ZINC000669378603 537969742 /nfs/dbraw/zinc/96/97/42/537969742.db2.gz IXTZIGMNRXZNSP-UHFFFAOYSA-N 1 3 207.321 1.772 10 0 BDAEHO Cc1cccc(CN2CCCN(CC[NH3+])CC2)c1 ZINC000037039711 179074376 /nfs/dbraw/zinc/07/43/76/179074376.db2.gz RZULWAQYOYEBNE-UHFFFAOYSA-N 1 3 247.386 1.461 10 0 BDAEHO Cc1cccc([C@H](C[NH3+])N(C)CCN(C)C)c1 ZINC000041268358 179199130 /nfs/dbraw/zinc/19/91/30/179199130.db2.gz XPMGBGKROUQEFN-AWEZNQCLSA-N 1 3 235.375 1.488 10 0 BDAEHO NC[C@@H]1CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000251023083 362833781 /nfs/dbraw/zinc/83/37/81/362833781.db2.gz FIYXWAYSURVQEF-UWVGGRQHSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@@H]1CC[N@H+]([C@H]2CCCSC2)C1 ZINC000251023083 362833784 /nfs/dbraw/zinc/83/37/84/362833784.db2.gz FIYXWAYSURVQEF-UWVGGRQHSA-N 1 3 200.351 1.163 10 0 BDAEHO CC1(C)CNCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000300846954 362930395 /nfs/dbraw/zinc/93/03/95/362930395.db2.gz NDLRDGOZXYOSFA-ZJUUUORDSA-N 1 3 214.378 1.470 10 0 BDAEHO CC1(C)C[NH2+]CC[C@@H]1N[C@@H]1CCSC1 ZINC000300846954 362930398 /nfs/dbraw/zinc/93/03/98/362930398.db2.gz NDLRDGOZXYOSFA-ZJUUUORDSA-N 1 3 214.378 1.470 10 0 BDAEHO CC1(C)CNCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000300846950 362930409 /nfs/dbraw/zinc/93/04/09/362930409.db2.gz NDLRDGOZXYOSFA-UWVGGRQHSA-N 1 3 214.378 1.470 10 0 BDAEHO CC1(C)C[NH2+]CC[C@@H]1N[C@H]1CCSC1 ZINC000300846950 362930411 /nfs/dbraw/zinc/93/04/11/362930411.db2.gz NDLRDGOZXYOSFA-UWVGGRQHSA-N 1 3 214.378 1.470 10 0 BDAEHO COC[C@@]12CCC[C@@H]1C[N@H+](CCCN)C2 ZINC000409436261 350479026 /nfs/dbraw/zinc/47/90/26/350479026.db2.gz YXFZTBPJGIGWEJ-NEPJUHHUSA-N 1 3 212.337 1.084 10 0 BDAEHO COC[C@@]12CCC[C@@H]1C[N@@H+](CCCN)C2 ZINC000409436261 350479029 /nfs/dbraw/zinc/47/90/29/350479029.db2.gz YXFZTBPJGIGWEJ-NEPJUHHUSA-N 1 3 212.337 1.084 10 0 BDAEHO C[C@@H](COCc1ccccc1)N[C@@H](C)C1C[NH2+]C1 ZINC000422795538 192472081 /nfs/dbraw/zinc/47/20/81/192472081.db2.gz VWZYBBOFKNPUQY-STQMWFEESA-N 1 3 248.370 1.789 10 0 BDAEHO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)C1CNC1 ZINC000422795538 192472083 /nfs/dbraw/zinc/47/20/83/192472083.db2.gz VWZYBBOFKNPUQY-STQMWFEESA-N 1 3 248.370 1.789 10 0 BDAEHO C[C@H]1CSC[C@@H]1[NH2+]C1CCNCC1 ZINC000307023960 351430074 /nfs/dbraw/zinc/43/00/74/351430074.db2.gz YHPZCTLTSCADRL-WPRPVWTQSA-N 1 3 200.351 1.080 10 0 BDAEHO C[C@H]1CSC[C@@H]1NC1CC[NH2+]CC1 ZINC000307023960 351430075 /nfs/dbraw/zinc/43/00/75/351430075.db2.gz YHPZCTLTSCADRL-WPRPVWTQSA-N 1 3 200.351 1.080 10 0 BDAEHO C[C@@H](CNC1=[NH+][C@@H](C)[C@H](C)S1)N(C)C ZINC000307037340 351439273 /nfs/dbraw/zinc/43/92/73/351439273.db2.gz GAXRLQFTWOPJNJ-CIUDSAMLSA-N 1 3 215.366 1.406 10 0 BDAEHO C[C@@H]1CSCCN(C2CC([NH3+])C2)C1 ZINC000307076058 351464769 /nfs/dbraw/zinc/46/47/69/351464769.db2.gz KXTDZLJPHNBLJH-IDKOKCKLSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1CSCC[N@@H+](C2CC(N)C2)C1 ZINC000307076058 351464772 /nfs/dbraw/zinc/46/47/72/351464772.db2.gz KXTDZLJPHNBLJH-IDKOKCKLSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1CSCC[N@H+](C2CC(N)C2)C1 ZINC000307076058 351464777 /nfs/dbraw/zinc/46/47/77/351464777.db2.gz KXTDZLJPHNBLJH-IDKOKCKLSA-N 1 3 200.351 1.161 10 0 BDAEHO CN(Cc1ccccc1)[C@H]1CC[C@]([NH3+])(CO)C1 ZINC000307159221 351509589 /nfs/dbraw/zinc/50/95/89/351509589.db2.gz UEIFDFMSGWKHLX-UONOGXRCSA-N 1 3 234.343 1.361 10 0 BDAEHO C[C@H]1C[C@@H]([NH2+]C2CCNCC2)CS1 ZINC000307233309 351699662 /nfs/dbraw/zinc/69/96/62/351699662.db2.gz CMQUMJYZNZVGPF-WCBMZHEXSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@H]1C[C@@H](NC2CC[NH2+]CC2)CS1 ZINC000307233309 351699665 /nfs/dbraw/zinc/69/96/65/351699665.db2.gz CMQUMJYZNZVGPF-WCBMZHEXSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@@H]1CSC[C@H]1N(C)C1CC([NH3+])C1 ZINC000307245323 351753444 /nfs/dbraw/zinc/75/34/44/351753444.db2.gz VQHOPXYJRQQHJT-SEZDTBSWSA-N 1 3 200.351 1.159 10 0 BDAEHO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000307329901 352028879 /nfs/dbraw/zinc/02/88/79/352028879.db2.gz XIKNKVPOIXBECT-VPOLOUISSA-N 1 3 214.378 1.468 10 0 BDAEHO CC(C)C[C@H](C)N(C)CC(=O)N(C)CCC[NH3+] ZINC000042562749 188293674 /nfs/dbraw/zinc/29/36/74/188293674.db2.gz LDAUSPGXEXEZOX-LBPRGKRZSA-N 1 3 243.395 1.160 10 0 BDAEHO CC(C)[N@H+](CCCO)[C@@H]1CCCCC[C@@H]1CN ZINC000042498981 188294175 /nfs/dbraw/zinc/29/41/75/188294175.db2.gz YCZXUILTYDVNLO-ZIAGYGMSSA-N 1 3 242.407 1.987 10 0 BDAEHO CC(C)[N@@H+](CCCO)[C@@H]1CCCCC[C@@H]1CN ZINC000042498981 188294177 /nfs/dbraw/zinc/29/41/77/188294177.db2.gz YCZXUILTYDVNLO-ZIAGYGMSSA-N 1 3 242.407 1.987 10 0 BDAEHO CC(C)[C@H](CN(C)C)[NH2+]CCCN1CCCC1 ZINC000049332735 188298666 /nfs/dbraw/zinc/29/86/66/188298666.db2.gz HSNYBXLWVOWOEV-AWEZNQCLSA-N 1 3 241.423 1.648 10 0 BDAEHO C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CSCCS1 ZINC000229587199 188334265 /nfs/dbraw/zinc/33/42/65/188334265.db2.gz NCYIWJMVJRIQCW-WDEREUQCSA-N 1 3 246.445 1.567 10 0 BDAEHO C([NH2+][C@H]1CCCNCC1)[C@@H]1CSCCS1 ZINC000229587199 188334267 /nfs/dbraw/zinc/33/42/67/188334267.db2.gz NCYIWJMVJRIQCW-WDEREUQCSA-N 1 3 246.445 1.567 10 0 BDAEHO NC(=[NH2+])c1ccccc1CN1CCCCC1 ZINC000019436488 181195783 /nfs/dbraw/zinc/19/57/83/181195783.db2.gz ZKFZBGOZFBSVHC-UHFFFAOYSA-N 1 3 217.316 1.957 10 0 BDAEHO CC1(C)C[N@H+](CCCN2CCCC2)CC[C@H]1O ZINC000305755172 192018209 /nfs/dbraw/zinc/01/82/09/192018209.db2.gz QVTMRPGMCCCROS-CYBMUJFWSA-N 1 3 240.391 1.565 10 0 BDAEHO CC1(C)C[N@@H+](CCCN2CCCC2)CC[C@H]1O ZINC000305755172 192018212 /nfs/dbraw/zinc/01/82/12/192018212.db2.gz QVTMRPGMCCCROS-CYBMUJFWSA-N 1 3 240.391 1.565 10 0 BDAEHO [NH3+][C@H]1C[C@H](N2CCCCC2)C12CCOCC2 ZINC000685949316 538892435 /nfs/dbraw/zinc/89/24/35/538892435.db2.gz PBYBISMCTJFCAD-RYUDHWBXSA-N 1 3 224.348 1.369 10 0 BDAEHO COC[C@H](C)C[N@H+](C)[C@@H]1CCCNCC1 ZINC000226451529 358339798 /nfs/dbraw/zinc/33/97/98/358339798.db2.gz IPGWCSUFAGNMFG-VXGBXAGGSA-N 1 3 214.353 1.343 10 0 BDAEHO COC[C@H](C)C[N@@H+](C)[C@@H]1CCCNCC1 ZINC000226451529 358339799 /nfs/dbraw/zinc/33/97/99/358339799.db2.gz IPGWCSUFAGNMFG-VXGBXAGGSA-N 1 3 214.353 1.343 10 0 BDAEHO CCN(CCC[NH+](CC)CC)C(=O)[C@@H](C)NC ZINC000230712844 358411123 /nfs/dbraw/zinc/41/11/23/358411123.db2.gz QDIKKKGITLWXIB-GFCCVEGCSA-N 1 3 243.395 1.175 10 0 BDAEHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000306165665 358974176 /nfs/dbraw/zinc/97/41/76/358974176.db2.gz VYGIQYDACBBYBB-KXUCPTDWSA-N 1 3 200.351 1.080 10 0 BDAEHO C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CCSC1 ZINC000306165665 358974177 /nfs/dbraw/zinc/97/41/77/358974177.db2.gz VYGIQYDACBBYBB-KXUCPTDWSA-N 1 3 200.351 1.080 10 0 BDAEHO C[C@H](CCO)CC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000578994699 366689745 /nfs/dbraw/zinc/68/97/45/366689745.db2.gz KOWCNZBUUQQIOQ-AVGNSLFASA-N 1 3 228.380 1.373 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000379723340 361360339 /nfs/dbraw/zinc/36/03/39/361360339.db2.gz NHWIOYURZJFRKO-FRRDWIJNSA-N 1 3 240.391 1.610 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000379723340 361360342 /nfs/dbraw/zinc/36/03/42/361360342.db2.gz NHWIOYURZJFRKO-FRRDWIJNSA-N 1 3 240.391 1.610 10 0 BDAEHO CO[C@@H]1CN(CCC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630369879 364087554 /nfs/dbraw/zinc/08/75/54/364087554.db2.gz XGHBHAXXZSOAJS-QWHCGFSZSA-N 1 3 226.364 1.615 10 0 BDAEHO Cc1cnccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000384906622 367754378 /nfs/dbraw/zinc/75/43/78/367754378.db2.gz AOVONUGZGRHLFE-MJBXVCDLSA-N 1 3 231.343 1.559 10 0 BDAEHO C[C@H]1CN([C@H]2CCCSC2)CCC[NH2+]1 ZINC000252979141 368176679 /nfs/dbraw/zinc/17/66/79/368176679.db2.gz GJEVSFWVVVHYBG-QWRGUYRKSA-N 1 3 214.378 1.566 10 0 BDAEHO C[C@H]([NH3+])c1ccc(CN2CCN(C)[C@H](C)C2)cc1 ZINC000223597479 368364573 /nfs/dbraw/zinc/36/45/73/368364573.db2.gz ZEPOQCRUBRTUSL-OLZOCXBDSA-N 1 3 247.386 1.842 10 0 BDAEHO CNC1CN(c2cc[nH+]c(NC(C)(C)C)c2)C1 ZINC000114703041 368948501 /nfs/dbraw/zinc/94/85/01/368948501.db2.gz HPRVXQDCTCTNJI-UHFFFAOYSA-N 1 3 234.347 1.700 10 0 BDAEHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)[C@@H](C)O ZINC000567639404 326237014 /nfs/dbraw/zinc/23/70/14/326237014.db2.gz NDCPTJXPKQGRSZ-KKOKHZNYSA-N 1 3 214.353 1.124 10 0 BDAEHO [NH3+]C[C@@H]1CCCCN(C2CSC2)C1 ZINC000215781522 371628699 /nfs/dbraw/zinc/62/86/99/371628699.db2.gz YLGDKIBAJCRUIE-VIFPVBQESA-N 1 3 200.351 1.163 10 0 BDAEHO C[C@H]1C[N@H+](C[Si](C)(C)C)CC[C@@H]1N ZINC000401638613 371796431 /nfs/dbraw/zinc/79/64/31/371796431.db2.gz GODILJJHBWUOJY-UWVGGRQHSA-N 1 3 200.402 1.533 10 0 BDAEHO C[C@H]1C[N@@H+](C[Si](C)(C)C)CC[C@@H]1N ZINC000401638613 371796437 /nfs/dbraw/zinc/79/64/37/371796437.db2.gz GODILJJHBWUOJY-UWVGGRQHSA-N 1 3 200.402 1.533 10 0 BDAEHO C[C@@H]1[C@H](C)SCCN1CC(C)(C)C[NH3+] ZINC000132516481 371847456 /nfs/dbraw/zinc/84/74/56/371847456.db2.gz IMUVDYHGCWHFGV-ZJUUUORDSA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(C)(C)CN ZINC000132516481 371847459 /nfs/dbraw/zinc/84/74/59/371847459.db2.gz IMUVDYHGCWHFGV-ZJUUUORDSA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@@H]1[C@H](C)SCC[N@H+]1CC(C)(C)CN ZINC000132516481 371847465 /nfs/dbraw/zinc/84/74/65/371847465.db2.gz IMUVDYHGCWHFGV-ZJUUUORDSA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@H]1SCC[N@H+](CC2(N)CC2)[C@H]1C ZINC000132489398 371838761 /nfs/dbraw/zinc/83/87/61/371838761.db2.gz NTNNFRURRBHVQK-DTWKUNHWSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@H]1SCC[N@@H+](CC2(N)CC2)[C@H]1C ZINC000132489398 371838767 /nfs/dbraw/zinc/83/87/67/371838767.db2.gz NTNNFRURRBHVQK-DTWKUNHWSA-N 1 3 200.351 1.304 10 0 BDAEHO CCCN1CCN([C@](C)(C[NH3+])CC(C)C)CC1 ZINC000019504876 169205507 /nfs/dbraw/zinc/20/55/07/169205507.db2.gz FMQQMUCZHPMJSA-AWEZNQCLSA-N 1 3 241.423 1.778 10 0 BDAEHO CCCN1CCN(CC2([NH3+])CCCC2)CC1 ZINC000037479586 169202647 /nfs/dbraw/zinc/20/26/47/169202647.db2.gz VMFROXAJGRZYQI-UHFFFAOYSA-N 1 3 225.380 1.286 10 0 BDAEHO CCCN1CCN(C[C@@H](C)C[NH2+]C(C)C)CC1 ZINC000052421800 169203151 /nfs/dbraw/zinc/20/31/51/169203151.db2.gz CBSGHHWQGOMTDY-AWEZNQCLSA-N 1 3 241.423 1.648 10 0 BDAEHO CCC[NH2+]C[C@H](C)OC1CCN(C)CC1 ZINC000052596496 169263444 /nfs/dbraw/zinc/26/34/44/169263444.db2.gz XUKUWUUUTKQUEE-NSHDSACASA-N 1 3 214.353 1.485 10 0 BDAEHO CCC[NH2+]C[C@]1(CN(C)CC(C)C)CCOC1 ZINC000051215642 169264575 /nfs/dbraw/zinc/26/45/75/169264575.db2.gz GAJFLEKORCKZRE-AWEZNQCLSA-N 1 3 242.407 1.981 10 0 BDAEHO c1ccc2c(c1)OC[C@H]2NCC1CC[NH2+]CC1 ZINC000094010497 183453272 /nfs/dbraw/zinc/45/32/72/183453272.db2.gz MCWUMTKDCYNPRA-CYBMUJFWSA-N 1 3 232.327 1.709 10 0 BDAEHO C[C@H](NC1CCC([NH3+])CC1)c1cnccn1 ZINC000070025751 384073917 /nfs/dbraw/zinc/07/39/17/384073917.db2.gz MMEXWKAMBZHGLP-WHXUTIOJSA-N 1 3 220.320 1.397 10 0 BDAEHO C(COCC1CCCC1)[NH2+]C1CCNCC1 ZINC000313254545 384164563 /nfs/dbraw/zinc/16/45/63/384164563.db2.gz PGRJXQQEHVJUTQ-UHFFFAOYSA-N 1 3 226.364 1.535 10 0 BDAEHO C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000400367484 384206132 /nfs/dbraw/zinc/20/61/32/384206132.db2.gz FRVPZUKHAKSHJS-JCIQBVFBSA-N 1 3 212.337 1.140 10 0 BDAEHO C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400367488 384206483 /nfs/dbraw/zinc/20/64/83/384206483.db2.gz FRVPZUKHAKSHJS-ZIQFBCGOSA-N 1 3 212.337 1.140 10 0 BDAEHO CCC[C@H](CN[C@@H]1CCC[NH2+]CC1)OC ZINC000356317500 384626434 /nfs/dbraw/zinc/62/64/34/384626434.db2.gz DXENGOWTEQOAIK-VXGBXAGGSA-N 1 3 214.353 1.533 10 0 BDAEHO COc1ccc(CNCC[C@H](C)[NH3+])cc1 ZINC000258690143 384931420 /nfs/dbraw/zinc/93/14/20/384931420.db2.gz FTXIINHAZXGGBD-JTQLQIEISA-N 1 3 208.305 1.522 10 0 BDAEHO Cc1c(C[NH2+][C@@H](C)CCN(C)C)cnn1C ZINC000086552019 385027031 /nfs/dbraw/zinc/02/70/31/385027031.db2.gz BZIOVEJQBLXTKQ-JTQLQIEISA-N 1 3 224.352 1.158 10 0 BDAEHO C([NH2+][C@H]1CCCNCC1)[C@@H]1CCCSC1 ZINC000336231010 385496796 /nfs/dbraw/zinc/49/67/96/385496796.db2.gz BBTGMBFWNIBQSZ-RYUDHWBXSA-N 1 3 228.405 1.861 10 0 BDAEHO FC1(F)CCC[C@H]([NH2+]C2CCNCC2)C1 ZINC000335034929 385923809 /nfs/dbraw/zinc/92/38/09/385923809.db2.gz QCXFHRPSHHECGZ-JTQLQIEISA-N 1 3 218.291 1.906 10 0 BDAEHO FC1(F)CCC[C@H](NC2CC[NH2+]CC2)C1 ZINC000335034929 385923813 /nfs/dbraw/zinc/92/38/13/385923813.db2.gz QCXFHRPSHHECGZ-JTQLQIEISA-N 1 3 218.291 1.906 10 0 BDAEHO C(N[C@@H]1CCC12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000335497783 386623293 /nfs/dbraw/zinc/62/32/93/386623293.db2.gz ZDLHTBXYWYHHDF-VXGBXAGGSA-N 1 3 208.349 1.908 10 0 BDAEHO N[C@H](CCC[NH3+])c1cccc(F)c1F ZINC000575438854 387120131 /nfs/dbraw/zinc/12/01/31/387120131.db2.gz DANAAWDSXDYBDT-SECBINFHSA-N 1 3 200.232 1.704 10 0 BDAEHO C[C@@H]1C[C@H](C2CC[NH2+]CC2)C[C@H](O)N1C ZINC000536950648 387162306 /nfs/dbraw/zinc/16/23/06/387162306.db2.gz QNJMGHVWOFZSOG-USWWRNFRSA-N 1 3 212.337 1.035 10 0 BDAEHO CC(C)n1cc([C@H]2NCC23CC[NH2+]CC3)cn1 ZINC000536957060 387170664 /nfs/dbraw/zinc/17/06/64/387170664.db2.gz BASUOQSUHZOQGG-GFCCVEGCSA-N 1 3 234.347 1.478 10 0 BDAEHO CC1(C)C[NH+](C[C@@H]2CNCCS2)C1 ZINC000575522789 387443772 /nfs/dbraw/zinc/44/37/72/387443772.db2.gz RUQJVQQKMQWVGX-VIFPVBQESA-N 1 3 200.351 1.033 10 0 BDAEHO CC1(N)CC[NH+](C[Si](C)(C)C)CC1 ZINC000575568824 387730475 /nfs/dbraw/zinc/73/04/75/387730475.db2.gz APWHUZNNARHYFS-UHFFFAOYSA-N 1 3 200.402 1.677 10 0 BDAEHO C[C@H]([NH2+]CC[C@H]1CCCO1)[C@@H]1CCCNC1 ZINC000643459714 387849306 /nfs/dbraw/zinc/84/93/06/387849306.db2.gz USYGYBLMEVSLLE-YNEHKIRRSA-N 1 3 226.364 1.533 10 0 BDAEHO Cc1ccc(CCN[C@H](C)[C@H]2CC[NH2+]C2)nc1 ZINC000423161262 387944451 /nfs/dbraw/zinc/94/44/51/387944451.db2.gz INKRFJZRKHXGFZ-OLZOCXBDSA-N 1 3 233.359 1.520 10 0 BDAEHO C([NH2+][C@@H]1CCCNCC1)[C@@H]1C[C@H]1C1CC1 ZINC000423164080 387944987 /nfs/dbraw/zinc/94/49/87/387944987.db2.gz NTXJYGNIEINXES-XQQFMLRXSA-N 1 3 208.349 1.764 10 0 BDAEHO CO[C@@H]1C[C@H](N[C@@H](C)[C@@H]2CC[NH2+]C2)C12CCC2 ZINC000423172067 387959838 /nfs/dbraw/zinc/95/98/38/387959838.db2.gz RDSKBWCRGKSWQF-QNWHQSFQSA-N 1 3 238.375 1.532 10 0 BDAEHO C[C@@H](NCCOCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400502991 387983094 /nfs/dbraw/zinc/98/30/94/387983094.db2.gz CNXVKXIBUXKDRO-HIFRSBDPSA-N 1 3 248.370 1.791 10 0 BDAEHO CCC(CC)[C@H](O)CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400509568 387986517 /nfs/dbraw/zinc/98/65/17/387986517.db2.gz FEDFAYALLYYSIK-RAIGVLPGSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@H](N[C@H](CO)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400324012 388115868 /nfs/dbraw/zinc/11/58/68/388115868.db2.gz BYSYJVHZTCDUGD-CYZMBNFOSA-N 1 3 226.364 1.125 10 0 BDAEHO CC(C)[C@@H](CN[C@H]1CC[NH2+]C1)N1CCCC1 ZINC000086725756 388108012 /nfs/dbraw/zinc/10/80/12/388108012.db2.gz COKCTRHCJQRYQH-QWHCGFSZSA-N 1 3 225.380 1.058 10 0 BDAEHO C[C@@H](Cc1cccc(Cl)c1)NCC[NH3+] ZINC000261528456 135153545 /nfs/dbraw/zinc/15/35/45/135153545.db2.gz LVCYRABJXINZRV-VIFPVBQESA-N 1 3 212.724 1.819 10 0 BDAEHO C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)CN(C)C ZINC000336720620 388469099 /nfs/dbraw/zinc/46/90/99/388469099.db2.gz SFPHKMCQZDSLDO-YVECIDJPSA-N 1 3 240.391 1.587 10 0 BDAEHO N[C@@H](CCC[NH3+])c1c(F)ccc(F)c1F ZINC000575439515 388629334 /nfs/dbraw/zinc/62/93/34/388629334.db2.gz CKNJBJDRBWVZCC-QMMMGPOBSA-N 1 3 218.222 1.843 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000530224376 388634597 /nfs/dbraw/zinc/63/45/97/388634597.db2.gz LVTWJOKFUZNQIK-NZEXEKPDSA-N 1 3 226.364 1.530 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000530224376 388634600 /nfs/dbraw/zinc/63/46/00/388634600.db2.gz LVTWJOKFUZNQIK-NZEXEKPDSA-N 1 3 226.364 1.530 10 0 BDAEHO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)[C@@H]1CCCNC1 ZINC000530225579 388635048 /nfs/dbraw/zinc/63/50/48/388635048.db2.gz OMRICHGTYBYXQR-VPCRRHSYSA-N 1 3 240.391 1.776 10 0 BDAEHO C[C@H](N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000530225579 388635050 /nfs/dbraw/zinc/63/50/50/388635050.db2.gz OMRICHGTYBYXQR-VPCRRHSYSA-N 1 3 240.391 1.776 10 0 BDAEHO CC(C)C[C@H](CO)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000566090797 388987486 /nfs/dbraw/zinc/98/74/86/388987486.db2.gz OWDXABWRDAZORL-JHJVBQTASA-N 1 3 228.380 1.371 10 0 BDAEHO CC(C)C[C@H](CO)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566090797 388987488 /nfs/dbraw/zinc/98/74/88/388987488.db2.gz OWDXABWRDAZORL-JHJVBQTASA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@@H](NCC1(CO)CCCC1)[C@H]1CC[NH2+]C1 ZINC000400576496 533358956 /nfs/dbraw/zinc/35/89/56/533358956.db2.gz PEHCBNUAYGVQEI-NEPJUHHUSA-N 1 3 226.364 1.127 10 0 BDAEHO C[C@@H](NCCc1ccco1)[C@@H]1CC[NH2+]C1 ZINC000400702035 533405784 /nfs/dbraw/zinc/40/57/84/533405784.db2.gz KFOCMDOFALTUPW-GHMZBOCLSA-N 1 3 208.305 1.410 10 0 BDAEHO C[C@@H](N[C@@H]1CS[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000306833292 533529556 /nfs/dbraw/zinc/52/95/56/533529556.db2.gz NQJCXKUWNUSONK-ZNSHCXBVSA-N 1 3 214.378 1.468 10 0 BDAEHO C[C@@H]1NC(=N)NC(=[NH2+])N1c1cccc(Cl)c1 ZINC000013488367 132293100 /nfs/dbraw/zinc/29/31/00/132293100.db2.gz CXDXEQLVIUNPDR-ZCFIWIBFSA-N 1 3 237.694 1.135 10 0 BDAEHO C[C@H](C[NH3+])CCN1CCN(c2ccccc2)CC1 ZINC000049835977 132358411 /nfs/dbraw/zinc/35/84/11/132358411.db2.gz OIRROBOMSMRYJJ-AWEZNQCLSA-N 1 3 247.386 1.794 10 0 BDAEHO NCc1cnc2ccccc2c1N1CC[NH2+]CC1 ZINC000052861007 132362705 /nfs/dbraw/zinc/36/27/05/132362705.db2.gz PQMXQARXGUSHRH-UHFFFAOYSA-N 1 3 242.326 1.103 10 0 BDAEHO CCC[C@H](CCO)C[NH2+][C@@H]1CCCNCC1 ZINC000227417133 134380726 /nfs/dbraw/zinc/38/07/26/134380726.db2.gz WERNYQHKESURDM-CHWSQXEVSA-N 1 3 228.380 1.517 10 0 BDAEHO CN(CCC[NH+](C)C)C[C@H]1CCC[C@H]1O ZINC000252459206 135090825 /nfs/dbraw/zinc/09/08/25/135090825.db2.gz WVOZSFOPEULKHG-VXGBXAGGSA-N 1 3 214.353 1.031 10 0 BDAEHO COC[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261527670 135151897 /nfs/dbraw/zinc/15/18/97/135151897.db2.gz FPYSCQJXVUOPEQ-UWVGGRQHSA-N 1 3 200.326 1.081 10 0 BDAEHO COC[C@H](C)[N@@H+]1CC[C@H](N)C(C)(C)C1 ZINC000261527670 135151899 /nfs/dbraw/zinc/15/18/99/135151899.db2.gz FPYSCQJXVUOPEQ-UWVGGRQHSA-N 1 3 200.326 1.081 10 0 BDAEHO COC[C@H](C)[N@H+]1CC[C@H](N)C(C)(C)C1 ZINC000261527670 135151900 /nfs/dbraw/zinc/15/19/00/135151900.db2.gz FPYSCQJXVUOPEQ-UWVGGRQHSA-N 1 3 200.326 1.081 10 0 BDAEHO FC1(F)CCC[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000261538290 135175463 /nfs/dbraw/zinc/17/54/63/135175463.db2.gz WOWXKQJZLJMEIF-SDDRHHMPSA-N 1 3 244.329 1.963 10 0 BDAEHO Fc1cncc(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261985329 135269754 /nfs/dbraw/zinc/26/97/54/135269754.db2.gz JROXCCRVHFRNCX-UHFFFAOYSA-N 1 3 249.333 1.796 10 0 BDAEHO O[C@@H]1C[NH2+]C[C@@H]1CNCCC1CCCCC1 ZINC000263317184 135346637 /nfs/dbraw/zinc/34/66/37/135346637.db2.gz ZQROLJWDWGROEP-QWHCGFSZSA-N 1 3 226.364 1.127 10 0 BDAEHO C[C@H](NCC[C@H]1CCCCO1)[C@@H]1CC[NH2+]C1 ZINC000400569848 398125041 /nfs/dbraw/zinc/12/50/41/398125041.db2.gz NJXUVEUAZMVXFS-YNEHKIRRSA-N 1 3 226.364 1.533 10 0 BDAEHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CNC[C@H]1O ZINC000262107143 487588659 /nfs/dbraw/zinc/58/86/59/487588659.db2.gz JSPXPFFKWPZHGA-MROQNXINSA-N 1 3 240.391 1.371 10 0 BDAEHO CC(C)NC(=[NH2+])N1CC[C@@H](N2CCCCC2)C1 ZINC000062985237 167034743 /nfs/dbraw/zinc/03/47/43/167034743.db2.gz FAEFVMJCHQCDAM-GFCCVEGCSA-N 1 3 238.379 1.479 10 0 BDAEHO C[C@H](Cc1ccccn1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000656193919 411199445 /nfs/dbraw/zinc/19/94/45/411199445.db2.gz YPOQGPOFESNZBN-MCIONIFRSA-N 1 3 247.386 1.990 10 0 BDAEHO C[C@H](Cc1ccccn1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000656193919 411199447 /nfs/dbraw/zinc/19/94/47/411199447.db2.gz YPOQGPOFESNZBN-MCIONIFRSA-N 1 3 247.386 1.990 10 0 BDAEHO Cc1cnc(CCN[C@H](C)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000656199703 411204901 /nfs/dbraw/zinc/20/49/01/411204901.db2.gz BCURUEGZONNUBU-KGLIPLIRSA-N 1 3 247.386 1.829 10 0 BDAEHO FC1(F)CCC[C@H](C[NH2+][C@@H]2CCNC2)C1 ZINC000334787613 411245536 /nfs/dbraw/zinc/24/55/36/411245536.db2.gz XCLWPJWHOFZYAK-VHSXEESVSA-N 1 3 218.291 1.763 10 0 BDAEHO C[C@H](N[C@@H]1CCS[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000307274835 411469857 /nfs/dbraw/zinc/46/98/57/411469857.db2.gz OVFNDRAZWCQRKY-XWLWVQCSSA-N 1 3 214.378 1.468 10 0 BDAEHO CCN1CC[C@H](CNC2=[NH+]CCCS2)C1 ZINC000037484489 170015629 /nfs/dbraw/zinc/01/56/29/170015629.db2.gz DVUBUEBHAOAJBF-SNVBAGLBSA-N 1 3 227.377 1.411 10 0 BDAEHO CC[NH2+]C(C)(C)CN1CCCN(C)CC1 ZINC000061299642 170107875 /nfs/dbraw/zinc/10/78/75/170107875.db2.gz LYKYVHADZBWUPN-UHFFFAOYSA-N 1 3 213.369 1.012 10 0 BDAEHO CC[NH2+]C[C@@H]1CCCN(c2ccncc2)C1 ZINC000053695999 170120085 /nfs/dbraw/zinc/12/00/85/170120085.db2.gz ALWNSWSTMDKXBQ-LBPRGKRZSA-N 1 3 219.332 1.908 10 0 BDAEHO CC[NH2+]C[C@@H]1CCCN1c1ccncc1 ZINC000053696606 170120283 /nfs/dbraw/zinc/12/02/83/170120283.db2.gz MLIVSBDCGMVTEV-LBPRGKRZSA-N 1 3 205.305 1.660 10 0 BDAEHO CC[NH2+][C@@H]1CCN(CC2CCOCC2)C[C@@H]1C ZINC000104193746 170151300 /nfs/dbraw/zinc/15/13/00/170151300.db2.gz AKSNHMJMMMDSGU-GXTWGEPZSA-N 1 3 240.391 1.733 10 0 BDAEHO CCOC1CC[NH+]([C@H]2CCCC[C@@H]2N)CC1 ZINC000040689239 170333013 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/nfs/dbraw/zinc/20/61/91/173206191.db2.gz PRUUDWSCFMHQLX-GOOCMWNKSA-N 1 3 245.370 1.839 10 0 BDAEHO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCCc1ccncc1)C2 ZINC000048261657 173206195 /nfs/dbraw/zinc/20/61/95/173206195.db2.gz PRUUDWSCFMHQLX-GOOCMWNKSA-N 1 3 245.370 1.839 10 0 BDAEHO C[N@H+]1[C@@H]2CC[C@H]1CC(NCCn1cccn1)C2 ZINC000042539263 173207180 /nfs/dbraw/zinc/20/71/80/173207180.db2.gz XMVIMCMPEKPLIS-YHWZYXNKSA-N 1 3 234.347 1.098 10 0 BDAEHO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCCn1cccn1)C2 ZINC000042539263 173207182 /nfs/dbraw/zinc/20/71/82/173207182.db2.gz XMVIMCMPEKPLIS-YHWZYXNKSA-N 1 3 234.347 1.098 10 0 BDAEHO C[NH2+]C(C)(C)CN(C)C1CCN(C)CC1 ZINC000061319486 173319090 /nfs/dbraw/zinc/31/90/90/173319090.db2.gz QUGQNHMVMFPZLG-UHFFFAOYSA-N 1 3 213.369 1.010 10 0 BDAEHO C[NH2+]CC1CCN([C@H](C)c2cnn(C)c2)CC1 ZINC000063159207 173338395 /nfs/dbraw/zinc/33/83/95/173338395.db2.gz LCZPDLSMHOKEMR-LLVKDONJSA-N 1 3 236.363 1.413 10 0 BDAEHO C[NH2+]C[C@@H](C)N1CCN(C(C)(C)C)CC1 ZINC000052571569 173364642 /nfs/dbraw/zinc/36/46/42/173364642.db2.gz YUMURYOXTSLYEQ-LLVKDONJSA-N 1 3 213.369 1.010 10 0 BDAEHO CNC[C@@]1(C[N@@H+]2CCC[C@@H](C)C2)CCCOC1 ZINC000104321314 173373516 /nfs/dbraw/zinc/37/35/16/173373516.db2.gz YDHYMBGQOLOLAX-ZIAGYGMSSA-N 1 3 240.391 1.735 10 0 BDAEHO CNC[C@@]1(C[N@H+]2CCC[C@@H](C)C2)CCCOC1 ZINC000104321314 173373518 /nfs/dbraw/zinc/37/35/18/173373518.db2.gz YDHYMBGQOLOLAX-ZIAGYGMSSA-N 1 3 240.391 1.735 10 0 BDAEHO C[NH2+]C[C@@]1(CN2CCC[C@@H](C)C2)CCCOC1 ZINC000104321314 173373519 /nfs/dbraw/zinc/37/35/19/173373519.db2.gz YDHYMBGQOLOLAX-ZIAGYGMSSA-N 1 3 240.391 1.735 10 0 BDAEHO CNC[C@@]1(C[N@H+](C)[C@@H](C)CC(C)C)CCOC1 ZINC000051258512 173373632 /nfs/dbraw/zinc/37/36/32/173373632.db2.gz VVIWTGVEEVXYGQ-UONOGXRCSA-N 1 3 242.407 1.979 10 0 BDAEHO CNC[C@@]1(C[N@@H+](C)[C@@H](C)CC(C)C)CCOC1 ZINC000051258512 173373633 /nfs/dbraw/zinc/37/36/33/173373633.db2.gz VVIWTGVEEVXYGQ-UONOGXRCSA-N 1 3 242.407 1.979 10 0 BDAEHO C[NH2+]C[C@@]1(CN(C)[C@@H](C)CC(C)C)CCOC1 ZINC000051258512 173373634 /nfs/dbraw/zinc/37/36/34/173373634.db2.gz VVIWTGVEEVXYGQ-UONOGXRCSA-N 1 3 242.407 1.979 10 0 BDAEHO CNC[C@H](O)C[N@H+](Cc1ccccc1)C(C)C ZINC000019864112 173375886 /nfs/dbraw/zinc/37/58/86/173375886.db2.gz UVTBBGUQHKYGQN-AWEZNQCLSA-N 1 3 236.359 1.477 10 0 BDAEHO CNC[C@H](O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000019864112 173375887 /nfs/dbraw/zinc/37/58/87/173375887.db2.gz UVTBBGUQHKYGQN-AWEZNQCLSA-N 1 3 236.359 1.477 10 0 BDAEHO CNCc1cccc(OC)c1OCC[NH+](C)C ZINC000019777055 173389710 /nfs/dbraw/zinc/38/97/10/173389710.db2.gz AJPFVGVFKSPTTQ-UHFFFAOYSA-N 1 3 238.331 1.355 10 0 BDAEHO CNCc1ccoc1C[N@@H+]1CC[C@@H](C)C1 ZINC000052484368 173391094 /nfs/dbraw/zinc/39/10/94/173391094.db2.gz AUHVWIIGXFIZIF-SNVBAGLBSA-N 1 3 208.305 1.841 10 0 BDAEHO CNCc1ccoc1C[N@H+]1CC[C@@H](C)C1 ZINC000052484368 173391095 /nfs/dbraw/zinc/39/10/95/173391095.db2.gz AUHVWIIGXFIZIF-SNVBAGLBSA-N 1 3 208.305 1.841 10 0 BDAEHO COC1CCN(C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000053858055 174029327 /nfs/dbraw/zinc/02/93/27/174029327.db2.gz VGTQVAWQOUOVBY-DGCLKSJQSA-N 1 3 226.364 1.615 10 0 BDAEHO COCC[N@H+](C)CC[C@H](N)c1ccccc1C ZINC000054022127 174279019 /nfs/dbraw/zinc/27/90/19/174279019.db2.gz KABOXLPHQZWXJK-AWEZNQCLSA-N 1 3 236.359 1.963 10 0 BDAEHO COCC[N@@H+](C)CC[C@H](N)c1ccccc1C ZINC000054022127 174279021 /nfs/dbraw/zinc/27/90/21/174279021.db2.gz KABOXLPHQZWXJK-AWEZNQCLSA-N 1 3 236.359 1.963 10 0 BDAEHO COCC[N@H+](C[C@@H]1CCCNC1)[C@H](C)C1CC1 ZINC000042689365 174296933 /nfs/dbraw/zinc/29/69/33/174296933.db2.gz DIQOPSPZHWKIKC-CHWSQXEVSA-N 1 3 240.391 1.733 10 0 BDAEHO COCC[N@@H+](C[C@@H]1CCCNC1)[C@H](C)C1CC1 ZINC000042689365 174296935 /nfs/dbraw/zinc/29/69/35/174296935.db2.gz DIQOPSPZHWKIKC-CHWSQXEVSA-N 1 3 240.391 1.733 10 0 BDAEHO COc1cccc(CCN2CC[C@@H](C[NH3+])C2)c1 ZINC000011891365 175252060 /nfs/dbraw/zinc/25/20/60/175252060.db2.gz OKJRFPZOILQEAF-ZDUSSCGKSA-N 1 3 234.343 1.518 10 0 BDAEHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)[C@@H]1CCCN(C)C1 ZINC000049553822 175671943 /nfs/dbraw/zinc/67/19/43/175671943.db2.gz JJKOFENTPLCLAA-MELADBBJSA-N 1 3 241.423 1.647 10 0 BDAEHO C[C@@H](c1ccc[nH]1)N1CCC(C[NH3+])CC1 ZINC000095068276 176017274 /nfs/dbraw/zinc/01/72/74/176017274.db2.gz XWEFAMMZBNAMMG-JTQLQIEISA-N 1 3 207.321 1.746 10 0 BDAEHO C[C@@H]1CCC[C@H]([NH2+]CCN(C)CCN(C)C)C1 ZINC000104202160 176143244 /nfs/dbraw/zinc/14/32/44/176143244.db2.gz NZXJDYRKXTUFOD-KGLIPLIRSA-N 1 3 241.423 1.648 10 0 BDAEHO C[C@@H]1CCN([C@@H]2CCCN(C)C2)CC[C@@H](C)[NH2+]1 ZINC000049667039 176180892 /nfs/dbraw/zinc/18/08/92/176180892.db2.gz SDKZHYDVHCKDRP-MGPQQGTHSA-N 1 3 239.407 1.543 10 0 BDAEHO C[C@@H]1CN(CCCCC[NH3+])C[C@@H](C)O1 ZINC000049580596 176287749 /nfs/dbraw/zinc/28/77/49/176287749.db2.gz CVTPSRHBNUNVFZ-GHMZBOCLSA-N 1 3 200.326 1.225 10 0 BDAEHO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCN(C)C2)S1 ZINC000044538314 176323796 /nfs/dbraw/zinc/32/37/96/176323796.db2.gz SRCNHYBCDYBNQM-ZJUUUORDSA-N 1 3 227.377 1.409 10 0 BDAEHO C[C@H]1CCC[C@H]([NH2+]CCN(C)CCN(C)C)C1 ZINC000104202161 177136851 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/nfs/dbraw/zinc/28/57/72/177285772.db2.gz VVPVEPLPDAWCHH-TXEJJXNPSA-N 1 3 210.365 1.964 10 0 BDAEHO C[C@H]1CSC(NC[C@H]2CCN(C)C2)=[NH+]1 ZINC000037485240 177303245 /nfs/dbraw/zinc/30/32/45/177303245.db2.gz MLBNXSIDYPKPNR-DTWKUNHWSA-N 1 3 213.350 1.019 10 0 BDAEHO C[C@@H](NCCOCC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400356706 226341869 /nfs/dbraw/zinc/34/18/69/226341869.db2.gz OQHHQRDJEKZVKN-OCCSQVGLSA-N 1 3 240.391 1.781 10 0 BDAEHO Cc1cccc(OCCN[C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400435503 226343547 /nfs/dbraw/zinc/34/35/47/226343547.db2.gz LCRMZRAZUNWVKM-KBPBESRZSA-N 1 3 248.370 1.961 10 0 BDAEHO C[C@@H](NCCc1cccc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000400513197 226345317 /nfs/dbraw/zinc/34/53/17/226345317.db2.gz MDLZHPVBTPMVDA-DGCLKSJQSA-N 1 3 236.334 1.956 10 0 BDAEHO CO[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400721343 226350093 /nfs/dbraw/zinc/35/00/93/226350093.db2.gz ONTQVTPYOSYLJR-IJLUTSLNSA-N 1 3 214.353 1.245 10 0 BDAEHO C[C@@H]1CN2CCCC[C@@H]2CN1C[C@H]1CC[NH2+]C1 ZINC000251603650 487775482 /nfs/dbraw/zinc/77/54/82/487775482.db2.gz DEMDAZZJOXXXPM-HZSPNIEDSA-N 1 3 237.391 1.155 10 0 BDAEHO C[C@@H](NCCOC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000569918727 323044280 /nfs/dbraw/zinc/04/42/80/323044280.db2.gz MWNGUVZRWXXNLH-RKDXNWHRSA-N 1 3 240.269 1.501 10 0 BDAEHO C[C@@H]([NH2+]CCOC(F)(F)F)[C@@H]1CCCNC1 ZINC000569918727 323044281 /nfs/dbraw/zinc/04/42/81/323044281.db2.gz MWNGUVZRWXXNLH-RKDXNWHRSA-N 1 3 240.269 1.501 10 0 BDAEHO CCOCCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000566791111 326082789 /nfs/dbraw/zinc/08/27/89/326082789.db2.gz RORFQAVBASANGD-NEPJUHHUSA-N 1 3 214.353 1.391 10 0 BDAEHO CCC[C@@H](N)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404887368 326101630 /nfs/dbraw/zinc/10/16/30/326101630.db2.gz NHQRKYLZTBNVRT-VXGBXAGGSA-N 1 3 241.379 1.057 10 0 BDAEHO CCOCCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000568987926 326385058 /nfs/dbraw/zinc/38/50/58/326385058.db2.gz VMCTVHISNYISMX-WDEREUQCSA-N 1 3 200.326 1.001 10 0 BDAEHO CCOCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000568987926 326385059 /nfs/dbraw/zinc/38/50/59/326385059.db2.gz VMCTVHISNYISMX-WDEREUQCSA-N 1 3 200.326 1.001 10 0 BDAEHO CC(C)[C@H](C)[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000304507668 487508567 /nfs/dbraw/zinc/50/85/67/487508567.db2.gz DBWWZNDKKOHXQP-STQMWFEESA-N 1 3 225.380 1.010 10 0 BDAEHO CC(C)[C@H](C)[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000304507668 487508570 /nfs/dbraw/zinc/50/85/70/487508570.db2.gz DBWWZNDKKOHXQP-STQMWFEESA-N 1 3 225.380 1.010 10 0 BDAEHO C[C@H](NCC1(CO)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400359857 490282180 /nfs/dbraw/zinc/28/21/80/490282180.db2.gz PVGYCSGAKQCFFZ-STQMWFEESA-N 1 3 240.391 1.517 10 0 BDAEHO COCC[C@H](C)N1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757125562 582500614 /nfs/dbraw/zinc/50/06/14/582500614.db2.gz FCECGHDMALYVJJ-IHRRRGAJSA-N 1 3 240.391 1.875 10 0 BDAEHO COCC[C@H](C)[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757125562 582500616 /nfs/dbraw/zinc/50/06/16/582500616.db2.gz FCECGHDMALYVJJ-IHRRRGAJSA-N 1 3 240.391 1.875 10 0 BDAEHO COCC[C@H](C)[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757125562 582500618 /nfs/dbraw/zinc/50/06/18/582500618.db2.gz FCECGHDMALYVJJ-IHRRRGAJSA-N 1 3 240.391 1.875 10 0 BDAEHO CN1CCC2(CC1)[NH2+][C@H]1CCCC[C@@H]1CO2 ZINC000757138591 582518078 /nfs/dbraw/zinc/51/80/78/582518078.db2.gz CPIOTGKNFWAKIH-NEPJUHHUSA-N 1 3 224.348 1.587 10 0 BDAEHO C[C@@H]1CC(C)(C)C[C@@]2(C1)[NH2+]CCC1(CNC1)O2 ZINC000757146331 582529744 /nfs/dbraw/zinc/52/97/44/582529744.db2.gz KFZVTQFZWKUSSM-RISCZKNCSA-N 1 3 238.375 1.881 10 0 BDAEHO CCC[C@@H]1CCOC2(CCN(CC)CC2)[NH2+]1 ZINC000757149886 582534264 /nfs/dbraw/zinc/53/42/64/582534264.db2.gz WVSXAUPIZBTKFX-GFCCVEGCSA-N 1 3 226.364 1.977 10 0 BDAEHO C[C@H]1CC(C)(C)O[C@@]2(CCCN(C)CC2)[NH2+]1 ZINC000757153712 582538528 /nfs/dbraw/zinc/53/85/28/582538528.db2.gz WYTARFGGWJKATD-WCQYABFASA-N 1 3 226.364 1.975 10 0 BDAEHO C[C@H](NCC(C)(C)C(C)(C)O)[C@@H]1CC[NH2+]C1 ZINC000400393498 533827994 /nfs/dbraw/zinc/82/79/94/533827994.db2.gz JLGMDVFPDYOFMB-WDEREUQCSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@H](NCCc1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000400535246 533874201 /nfs/dbraw/zinc/87/42/01/533874201.db2.gz SYAAGUOTFTUITH-AAEUAGOBSA-N 1 3 236.334 1.956 10 0 BDAEHO C[C@H](NC[C@@]1(C)CCCO1)[C@H]1CC[NH2+]C1 ZINC000400416653 533891747 /nfs/dbraw/zinc/89/17/47/533891747.db2.gz VOSKJJJCXOWMPU-SDDRHHMPSA-N 1 3 212.337 1.143 10 0 BDAEHO C[C@H](NC[C@H](O)CC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400560225 533899632 /nfs/dbraw/zinc/89/96/32/533899632.db2.gz HOZHGRVIBKGHKH-SDDRHHMPSA-N 1 3 228.380 1.371 10 0 BDAEHO CC(C)(C)C[C@@H](O)C[NH2+]C1CCNCC1 ZINC000226068275 534628777 /nfs/dbraw/zinc/62/87/77/534628777.db2.gz OUHOETPWJJFEGW-LLVKDONJSA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)(C)C[C@@H](O)CNC1CC[NH2+]CC1 ZINC000226068275 534628781 /nfs/dbraw/zinc/62/87/81/534628781.db2.gz OUHOETPWJJFEGW-LLVKDONJSA-N 1 3 214.353 1.125 10 0 BDAEHO C(C[NH2+][C@H]1CCCNCC1)C[C@H]1CCOC1 ZINC000401920010 527486322 /nfs/dbraw/zinc/48/63/22/527486322.db2.gz DNYOCMMEHVGCQY-STQMWFEESA-N 1 3 226.364 1.535 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000306708199 527821125 /nfs/dbraw/zinc/82/11/25/527821125.db2.gz SNDIWFIHFNNRCZ-BBBLOLIVSA-N 1 3 214.378 1.597 10 0 BDAEHO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CN ZINC000306708199 527821129 /nfs/dbraw/zinc/82/11/29/527821129.db2.gz SNDIWFIHFNNRCZ-BBBLOLIVSA-N 1 3 214.378 1.597 10 0 BDAEHO CCSCCCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400509332 529177889 /nfs/dbraw/zinc/17/78/89/529177889.db2.gz ITSVFCZNSQHBOU-MNOVXSKESA-N 1 3 216.394 1.717 10 0 BDAEHO CCSCCCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400509329 529178241 /nfs/dbraw/zinc/17/82/41/529178241.db2.gz ITSVFCZNSQHBOU-GHMZBOCLSA-N 1 3 216.394 1.717 10 0 BDAEHO CC[C@@H](C)N1CCN(c2cc[nH+]cc2N)CC1 ZINC000035368417 535566206 /nfs/dbraw/zinc/56/62/06/535566206.db2.gz NPCMPOZRBVVJJZ-LLVKDONJSA-N 1 3 234.347 1.584 10 0 BDAEHO C[NH+](C)CCCN1CCN2CCCC[C@H]2C1 ZINC000252693126 535832692 /nfs/dbraw/zinc/83/26/92/535832692.db2.gz HFOPSLFBLKDIOM-ZDUSSCGKSA-N 1 3 225.380 1.108 10 0 BDAEHO CO[C@H]1C[C@H](NC2CC[NH2+]CC2)C12CCC2 ZINC000335617279 536826817 /nfs/dbraw/zinc/82/68/17/536826817.db2.gz YGUIARPTPJWQSN-RYUDHWBXSA-N 1 3 224.348 1.286 10 0 BDAEHO CO[C@H]1C[C@H]([NH2+]C2CCNCC2)C12CCC2 ZINC000335617279 536826812 /nfs/dbraw/zinc/82/68/12/536826812.db2.gz YGUIARPTPJWQSN-RYUDHWBXSA-N 1 3 224.348 1.286 10 0 BDAEHO COCCC[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757130724 582504433 /nfs/dbraw/zinc/50/44/33/582504433.db2.gz NYPCJUOSHWJLRP-CHWSQXEVSA-N 1 3 226.364 1.629 10 0 BDAEHO COCCC[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757130724 582504436 /nfs/dbraw/zinc/50/44/36/582504436.db2.gz NYPCJUOSHWJLRP-CHWSQXEVSA-N 1 3 226.364 1.629 10 0 BDAEHO CC1(C)CCC[C@@]2(C1)[NH2+]CCC1(CNC1)O2 ZINC000757153444 582537236 /nfs/dbraw/zinc/53/72/36/582537236.db2.gz WQCZFCYMCSYRNO-CYBMUJFWSA-N 1 3 224.348 1.635 10 0 BDAEHO C[C@H]1CN2C(=N1)N=CC=C2[C@H]1CCC[NH2+]C1 ZINC000235697581 582603190 /nfs/dbraw/zinc/60/31/90/582603190.db2.gz WMHSDAPIAFKQMB-UWVGGRQHSA-N 1 3 218.304 1.014 10 0 BDAEHO CC(C)CN1CCC2(CC1)[NH2+]CC[C@H](C)O2 ZINC000757145717 586428501 /nfs/dbraw/zinc/42/85/01/586428501.db2.gz QGLKLZSUGCRFHI-LBPRGKRZSA-N 1 3 226.364 1.833 10 0 BDAEHO CCN1CCC2(CC1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757150762 586429075 /nfs/dbraw/zinc/42/90/75/586429075.db2.gz SDAYOAOQXGLIRC-GFCCVEGCSA-N 1 3 224.348 1.444 10 0 BDAEHO COC(=O)[C@H]1CCN[C@H](c2ccc(C[NH3+])cc2)C1 ZINC000757210830 586438829 /nfs/dbraw/zinc/43/88/29/586438829.db2.gz HKAJSVRONFAZJX-STQMWFEESA-N 1 3 248.326 1.359 10 0 BDAEHO [NH3+]C[C@H]1CC[C@H](c2cccc3cc[nH]c32)CN1 ZINC000757212626 586439408 /nfs/dbraw/zinc/43/94/08/586439408.db2.gz JOEYGJKCFQYAMG-NWDGAFQWSA-N 1 3 229.327 1.962 10 0 BDAEHO Nc1cccc([C@H]2NCCC[C@@H]2C[NH3+])c1 ZINC000757215397 586440734 /nfs/dbraw/zinc/44/07/34/586440734.db2.gz NIFAOGOMKGNTLC-ZYHUDNBSSA-N 1 3 205.305 1.268 10 0 BDAEHO [NH3+]C[C@@H]1CNC[C@H](c2cccc(C=O)c2)C1 ZINC000757219964 586442025 /nfs/dbraw/zinc/44/20/25/586442025.db2.gz ZLXJTMVYHDJBKB-DGCLKSJQSA-N 1 3 218.300 1.151 10 0 BDAEHO NC[C@@H]1C[NH2+]C[C@H](c2cccc(C=O)c2)C1 ZINC000757219964 586442026 /nfs/dbraw/zinc/44/20/26/586442026.db2.gz ZLXJTMVYHDJBKB-DGCLKSJQSA-N 1 3 218.300 1.151 10 0 BDAEHO C[C@H](CN[C@H]1CCC[NH2+]CC1)N1CCCCC1 ZINC000129161736 591266886 /nfs/dbraw/zinc/26/68/86/591266886.db2.gz CWAMDSHSKZRHIR-KGLIPLIRSA-N 1 3 239.407 1.593 10 0 BDAEHO [NH3+][C@@H](CC(F)F)CN1CCN2CCCC[C@H]2C1 ZINC000310082251 711707894 /nfs/dbraw/zinc/70/78/94/711707894.db2.gz KIJGZKYHWGIFKV-QWRGUYRKSA-N 1 3 247.333 1.139 10 0 BDAEHO C[C@H](NC[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1CC[NH2+]C1 ZINC000722323087 711737091 /nfs/dbraw/zinc/73/70/91/711737091.db2.gz WHCKWZVLGSLQHK-GHYVTOPFSA-N 1 3 238.375 1.532 10 0 BDAEHO Cc1ccc(OCCN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000708839366 712200710 /nfs/dbraw/zinc/20/07/10/712200710.db2.gz CWDHGJGCJISVIS-KGLIPLIRSA-N 1 3 248.370 1.900 10 0 BDAEHO Cc1ccccc1OCCN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708841593 712200753 /nfs/dbraw/zinc/20/07/53/712200753.db2.gz UFHSLZLURUIKSD-KGLIPLIRSA-N 1 3 248.370 1.900 10 0 BDAEHO C[C@H]1CN(Cc2ccc3c[nH]nc3c2)C[C@@H]1C[NH3+] ZINC000708859008 712201176 /nfs/dbraw/zinc/20/11/76/712201176.db2.gz SVTAQJMCUAKMBO-GWCFXTLKSA-N 1 3 244.342 1.590 10 0 BDAEHO NC[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000712437949 712430034 /nfs/dbraw/zinc/43/00/34/712430034.db2.gz MASLIUIWJNKMAR-NWDGAFQWSA-N 1 3 224.348 1.511 10 0 BDAEHO NC[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000712437949 712430035 /nfs/dbraw/zinc/43/00/35/712430035.db2.gz MASLIUIWJNKMAR-NWDGAFQWSA-N 1 3 224.348 1.511 10 0 BDAEHO CC(C)C1(N2CCN(C)CC2)CC[NH2+]CC1 ZINC000685960701 538907853 /nfs/dbraw/zinc/90/78/53/538907853.db2.gz AACBFKOXHVZEGI-UHFFFAOYSA-N 1 3 225.380 1.012 10 0 BDAEHO CC(C)C1([NH+]2CCN(C)CC2)CCNCC1 ZINC000685960701 538907854 /nfs/dbraw/zinc/90/78/54/538907854.db2.gz AACBFKOXHVZEGI-UHFFFAOYSA-N 1 3 225.380 1.012 10 0 BDAEHO C[C@H](C[NH3+])C1(O)CCN(Cc2ccccc2)CC1 ZINC000207166693 538962311 /nfs/dbraw/zinc/96/23/11/538962311.db2.gz PFUAECFTLQVVSI-CYBMUJFWSA-N 1 3 248.370 1.608 10 0 BDAEHO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCNC1 ZINC000580314432 346896722 /nfs/dbraw/zinc/89/67/22/346896722.db2.gz SCJNZEZNCQFKRV-NWBUJAPZSA-N 1 3 208.349 1.763 10 0 BDAEHO COC(C)(C)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000159220041 349754905 /nfs/dbraw/zinc/75/49/05/349754905.db2.gz DSDXCQGWOAKMAM-ZJUUUORDSA-N 1 3 200.326 1.081 10 0 BDAEHO c1cc(N2CCNCC2)c2c([nH+]1)CCCC2 ZINC000139211411 343075422 /nfs/dbraw/zinc/07/54/22/343075422.db2.gz MUWNISKMAGEHGA-UHFFFAOYSA-N 1 3 217.316 1.370 10 0 BDAEHO Nc1cc[nH+]c(NCCN2CCCCC2)c1 ZINC000043569230 343170667 /nfs/dbraw/zinc/17/06/67/343170667.db2.gz WVGJXYLSDNEUKX-UHFFFAOYSA-N 1 3 220.320 1.562 10 0 BDAEHO Cc1cccc(C[NH2+]CCCNCCO)c1 ZINC000032500026 343236415 /nfs/dbraw/zinc/23/64/15/343236415.db2.gz QOJSZWPNZJCWPB-UHFFFAOYSA-N 1 3 222.332 1.057 10 0 BDAEHO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@H](O)CN ZINC000033506768 343256248 /nfs/dbraw/zinc/25/62/48/343256248.db2.gz QBYBTRGJFDHZKL-CYBMUJFWSA-N 1 3 236.359 1.607 10 0 BDAEHO CC(C)(C)[N@H+](Cc1ccccc1)C[C@H](O)CN ZINC000033506768 343256250 /nfs/dbraw/zinc/25/62/50/343256250.db2.gz QBYBTRGJFDHZKL-CYBMUJFWSA-N 1 3 236.359 1.607 10 0 BDAEHO CC(C)(C)N(Cc1ccccc1)C[C@H](O)C[NH3+] ZINC000033506768 343256251 /nfs/dbraw/zinc/25/62/51/343256251.db2.gz QBYBTRGJFDHZKL-CYBMUJFWSA-N 1 3 236.359 1.607 10 0 BDAEHO CC(C)(C)[N@@H+]1CCCOC[C@H]1CCN ZINC000616646041 343530551 /nfs/dbraw/zinc/53/05/51/343530551.db2.gz SDXMLTNYMHHKSA-SNVBAGLBSA-N 1 3 200.326 1.225 10 0 BDAEHO CC(C)(C)[N@H+]1CCCOC[C@H]1CCN ZINC000616646041 343530552 /nfs/dbraw/zinc/53/05/52/343530552.db2.gz SDXMLTNYMHHKSA-SNVBAGLBSA-N 1 3 200.326 1.225 10 0 BDAEHO CC(C)(C)N1CCCOC[C@H]1CC[NH3+] ZINC000616646041 343530553 /nfs/dbraw/zinc/53/05/53/343530553.db2.gz SDXMLTNYMHHKSA-SNVBAGLBSA-N 1 3 200.326 1.225 10 0 BDAEHO CC(C)[N@@H+]1CC[C@H](N)C12CCN(C1CC1)CC2 ZINC000712057620 537783957 /nfs/dbraw/zinc/78/39/57/537783957.db2.gz DGLMUHSHIYHHNV-ZDUSSCGKSA-N 1 3 237.391 1.425 10 0 BDAEHO CC(C)[N@H+]1CC[C@H](N)C12CCN(C1CC1)CC2 ZINC000712057620 537783962 /nfs/dbraw/zinc/78/39/62/537783962.db2.gz DGLMUHSHIYHHNV-ZDUSSCGKSA-N 1 3 237.391 1.425 10 0 BDAEHO C[NH+](C)CCCNc1cc(N)nc(C2CC2)n1 ZINC000126918346 343787236 /nfs/dbraw/zinc/78/72/36/343787236.db2.gz XKZSTOFUQWRSTA-UHFFFAOYSA-N 1 3 235.335 1.300 10 0 BDAEHO FC1(F)CC[C@H]2C[N@@H+](C3CCNCC3)C[C@@H]21 ZINC000409427508 343801257 /nfs/dbraw/zinc/80/12/57/343801257.db2.gz KOJWKIWZRZVBIB-ONGXEEELSA-N 1 3 230.302 1.716 10 0 BDAEHO FC1(F)CC[C@H]2C[N@H+](C3CCNCC3)C[C@@H]21 ZINC000409427508 343801258 /nfs/dbraw/zinc/80/12/58/343801258.db2.gz KOJWKIWZRZVBIB-ONGXEEELSA-N 1 3 230.302 1.716 10 0 BDAEHO CCOCC1(C)CC[NH+](C2CCNCC2)CC1 ZINC000409435359 343833228 /nfs/dbraw/zinc/83/32/28/343833228.db2.gz UGKBOUNINFZZAT-UHFFFAOYSA-N 1 3 240.391 1.877 10 0 BDAEHO CCOCC1(C)CCN(C2CC[NH2+]CC2)CC1 ZINC000409435359 343833230 /nfs/dbraw/zinc/83/32/30/343833230.db2.gz UGKBOUNINFZZAT-UHFFFAOYSA-N 1 3 240.391 1.877 10 0 BDAEHO CCOC[C@H]1C[N@@H+](C2CCNCC2)CC1(C)C ZINC000409436150 343837354 /nfs/dbraw/zinc/83/73/54/343837354.db2.gz YJDJQNXOGWAWGS-GFCCVEGCSA-N 1 3 240.391 1.733 10 0 BDAEHO CCOC[C@H]1C[N@H+](C2CCNCC2)CC1(C)C ZINC000409436150 343837356 /nfs/dbraw/zinc/83/73/56/343837356.db2.gz YJDJQNXOGWAWGS-GFCCVEGCSA-N 1 3 240.391 1.733 10 0 BDAEHO CCOC[C@H]1CN(C2CC[NH2+]CC2)CC1(C)C ZINC000409436150 343837357 /nfs/dbraw/zinc/83/73/57/343837357.db2.gz YJDJQNXOGWAWGS-GFCCVEGCSA-N 1 3 240.391 1.733 10 0 BDAEHO C1C[C@H](N2CCNCC2)[C@@H]([NH+]2CCCCC2)C1 ZINC000409439329 343847134 /nfs/dbraw/zinc/84/71/34/343847134.db2.gz GTZPOEMCPAMOOL-KBPBESRZSA-N 1 3 237.391 1.299 10 0 BDAEHO C[C@H](NCCN1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000570507931 323061605 /nfs/dbraw/zinc/06/16/05/323061605.db2.gz UUHORMSPDROIBN-KBPBESRZSA-N 1 3 237.391 1.226 10 0 BDAEHO CCSCC[N@@H+]1C[C@@H](OC)C[C@]1(C)CN ZINC000600886928 344386308 /nfs/dbraw/zinc/38/63/08/344386308.db2.gz UPXORAGGYDOBHP-WDEREUQCSA-N 1 3 232.393 1.178 10 0 BDAEHO CCSCC[N@H+]1C[C@@H](OC)C[C@]1(C)CN ZINC000600886928 344386310 /nfs/dbraw/zinc/38/63/10/344386310.db2.gz UPXORAGGYDOBHP-WDEREUQCSA-N 1 3 232.393 1.178 10 0 BDAEHO C[C@@H]1SCC[C@@H]1N1CCC([NH3+])CC1 ZINC000235300017 344876139 /nfs/dbraw/zinc/87/61/39/344876139.db2.gz JJOWZEARAYCREZ-WPRPVWTQSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]([NH3+])[C@@H](C)CN1CCCSCC1 ZINC000165074907 346638251 /nfs/dbraw/zinc/63/82/51/346638251.db2.gz SXFQBZGVQPHRCJ-VHSXEESVSA-N 1 3 202.367 1.409 10 0 BDAEHO [NH3+][C@@H]1CNCC[C@@H]1c1ccc2c(c1)CCN2 ZINC000669381420 537996023 /nfs/dbraw/zinc/99/60/23/537996023.db2.gz JEVUKQHMHZRDPJ-VXGBXAGGSA-N 1 3 217.316 1.059 10 0 BDAEHO CC[C@@H]1CN([C@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000251753009 362906597 /nfs/dbraw/zinc/90/65/97/362906597.db2.gz LLXDNUWGLUNJEG-VWYCJHECSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@@H]1CCCN1[C@@]1(C[NH3+])CCSC1 ZINC000216244792 349988592 /nfs/dbraw/zinc/98/85/92/349988592.db2.gz ZTBWPZHMBGLQJR-NXEZZACHSA-N 1 3 200.351 1.305 10 0 BDAEHO CCSC1(CN[C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000596653601 348607140 /nfs/dbraw/zinc/60/71/40/348607140.db2.gz WGAFDCLSLGPWEG-GHMZBOCLSA-N 1 3 228.405 1.860 10 0 BDAEHO CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@H]2CO)CC1 ZINC000309379963 350361260 /nfs/dbraw/zinc/36/12/60/350361260.db2.gz RVHGFXGHOCMBAC-CMPLNLGQSA-N 1 3 226.364 1.220 10 0 BDAEHO NCC[N@@H+]1CCCC[C@H](c2cccnc2N)C1 ZINC000616629851 351101558 /nfs/dbraw/zinc/10/15/58/351101558.db2.gz UZQUOWHWVROPBT-NSHDSACASA-N 1 3 234.347 1.192 10 0 BDAEHO NCC[N@H+]1CCCC[C@H](c2cccnc2N)C1 ZINC000616629851 351101560 /nfs/dbraw/zinc/10/15/60/351101560.db2.gz UZQUOWHWVROPBT-NSHDSACASA-N 1 3 234.347 1.192 10 0 BDAEHO [NH3+]C[C@H]1CCN(Cc2ccccc2)CCO1 ZINC000616663006 351214919 /nfs/dbraw/zinc/21/49/19/351214919.db2.gz NXATYESHYGASAD-CYBMUJFWSA-N 1 3 220.316 1.236 10 0 BDAEHO C[C@@H](N)[C@@H](C)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000306972403 351395094 /nfs/dbraw/zinc/39/50/94/351395094.db2.gz VTZCRZLTVOZISO-ZYUZMQFOSA-N 1 3 202.367 1.548 10 0 BDAEHO C[C@@H]1CN(C2CSC2)C[C@]1(C)C[NH3+] ZINC000307030468 351431924 /nfs/dbraw/zinc/43/19/24/351431924.db2.gz PNHLAICTZZPUTE-SCZZXKLOSA-N 1 3 200.351 1.019 10 0 BDAEHO C[C@@H]1C[N@@H+](C2CSC2)C[C@]1(C)CN ZINC000307030468 351431927 /nfs/dbraw/zinc/43/19/27/351431927.db2.gz PNHLAICTZZPUTE-SCZZXKLOSA-N 1 3 200.351 1.019 10 0 BDAEHO C[C@@H]1C[N@H+](C2CSC2)C[C@]1(C)CN ZINC000307030468 351431930 /nfs/dbraw/zinc/43/19/30/351431930.db2.gz PNHLAICTZZPUTE-SCZZXKLOSA-N 1 3 200.351 1.019 10 0 BDAEHO C[C@@H](CNC1=[NH+][C@@H](C)[C@@H](C)S1)N(C)C ZINC000307037350 351439111 /nfs/dbraw/zinc/43/91/11/351439111.db2.gz GAXRLQFTWOPJNJ-XHNCKOQMSA-N 1 3 215.366 1.406 10 0 BDAEHO C[C@H]([NH3+])C1CCN(C2CSC2)CC1 ZINC000307500666 352627732 /nfs/dbraw/zinc/62/77/32/352627732.db2.gz MKRVIYYKMDCTBJ-QMMMGPOBSA-N 1 3 200.351 1.161 10 0 BDAEHO CN(Cc1ccc(CN)o1)[C@@H]1CCC[N@H+](C)C1 ZINC000053249420 188300442 /nfs/dbraw/zinc/30/04/42/188300442.db2.gz LSLVSDSTZKTAII-LLVKDONJSA-N 1 3 237.347 1.264 10 0 BDAEHO CN(Cc1ccc(CN)o1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053249420 188300443 /nfs/dbraw/zinc/30/04/43/188300443.db2.gz LSLVSDSTZKTAII-LLVKDONJSA-N 1 3 237.347 1.264 10 0 BDAEHO c1ccc2c(c1)CN(C1CC[NH2+]CC1)C=N2 ZINC000095079604 188319073 /nfs/dbraw/zinc/31/90/73/188319073.db2.gz CXZJHMUJXXGJBZ-UHFFFAOYSA-N 1 3 215.300 1.914 10 0 BDAEHO CN(C)CCOCc1ccc(C[NH3+])cc1 ZINC000052669627 188333935 /nfs/dbraw/zinc/33/39/35/188333935.db2.gz YKBCTYXWTYRVEF-UHFFFAOYSA-N 1 3 208.305 1.224 10 0 BDAEHO C[C@@H]1C[C@@H](NC2CC(F)(F)C2)CC[N@@H+]1C ZINC000309145447 188343500 /nfs/dbraw/zinc/34/35/00/188343500.db2.gz VCFSNICJBHDXQK-BDAKNGLRSA-N 1 3 218.291 1.856 10 0 BDAEHO C[C@@H]1C[C@@H](NC2CC(F)(F)C2)CC[N@H+]1C ZINC000309145447 188343502 /nfs/dbraw/zinc/34/35/02/188343502.db2.gz VCFSNICJBHDXQK-BDAKNGLRSA-N 1 3 218.291 1.856 10 0 BDAEHO COC(C)(C)[C@H](C)[N@@H+]1CCC[C@@H](N)C1 ZINC000301029257 363344277 /nfs/dbraw/zinc/34/42/77/363344277.db2.gz UCSZHXHGPPJPCS-VHSXEESVSA-N 1 3 200.326 1.223 10 0 BDAEHO COC(C)(C)[C@H](C)[N@H+]1CCC[C@@H](N)C1 ZINC000301029257 363344283 /nfs/dbraw/zinc/34/42/83/363344283.db2.gz UCSZHXHGPPJPCS-VHSXEESVSA-N 1 3 200.326 1.223 10 0 BDAEHO N=C(N)NC(=[NH2+])Nc1cccc2ccc(O)cc21 ZINC000035052462 181190253 /nfs/dbraw/zinc/19/02/53/181190253.db2.gz HOGDMMZTOLIYGR-UHFFFAOYSA-N 1 3 243.270 1.375 10 0 BDAEHO NC(=[NH2+])c1ccc(CN2CCCC2)c(F)c1 ZINC000019485411 181194500 /nfs/dbraw/zinc/19/45/00/181194500.db2.gz FDMMDTNBMXFOHL-UHFFFAOYSA-N 1 3 221.279 1.706 10 0 BDAEHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H](O)C(C)(C)C ZINC000324568475 356400935 /nfs/dbraw/zinc/40/09/35/356400935.db2.gz VYXBVVQWWPFWRQ-GRYCIOLGSA-N 1 3 228.380 1.514 10 0 BDAEHO C[C@@H]1CCCN(Cc2c(C[NH3+])cnn2C)[C@@H]1C ZINC000675056005 538477325 /nfs/dbraw/zinc/47/73/25/538477325.db2.gz HTNHSNVMARDLHZ-GHMZBOCLSA-N 1 3 236.363 1.499 10 0 BDAEHO C[C@@H]1C[C@@H](N2CCC[C@@H]2C[NH3+])CS1 ZINC000168799509 357236473 /nfs/dbraw/zinc/23/64/73/357236473.db2.gz CJWDONXLTOOBBX-OPRDCNLKSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1CCSC[C@@H]1C ZINC000685951751 538895409 /nfs/dbraw/zinc/89/54/09/538895409.db2.gz XHXZOFMKODQYDJ-WHOHXGKFSA-N 1 3 228.405 1.668 10 0 BDAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@@H+]1CCSC[C@@H]1C ZINC000685951751 538895411 /nfs/dbraw/zinc/89/54/11/538895411.db2.gz XHXZOFMKODQYDJ-WHOHXGKFSA-N 1 3 228.405 1.668 10 0 BDAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@H+]1CCSC[C@@H]1C ZINC000685951751 538895413 /nfs/dbraw/zinc/89/54/13/538895413.db2.gz XHXZOFMKODQYDJ-WHOHXGKFSA-N 1 3 228.405 1.668 10 0 BDAEHO C[C@@](N)(C[NH3+])CCOCc1ccc(F)c(F)c1 ZINC000584614518 358278928 /nfs/dbraw/zinc/27/89/28/358278928.db2.gz ZAMJXWYIYAQMHQ-LBPRGKRZSA-N 1 3 244.285 1.548 10 0 BDAEHO C[C@@H]1C[C@H](N2CCC[C@H]2C[NH3+])CS1 ZINC000252682553 366431068 /nfs/dbraw/zinc/43/10/68/366431068.db2.gz CJWDONXLTOOBBX-UTLUCORTSA-N 1 3 200.351 1.304 10 0 BDAEHO CN(CCC[NH+](C)C)[C@@H]1CCCC[C@H]1O ZINC000230946197 358412551 /nfs/dbraw/zinc/41/25/51/358412551.db2.gz HNZZRMZYWVCUBL-VXGBXAGGSA-N 1 3 214.353 1.173 10 0 BDAEHO C[C@@H]([NH3+])CCN1CCSC(C)(C)CC1 ZINC000231052045 358578794 /nfs/dbraw/zinc/57/87/94/358578794.db2.gz KGPUPMGVMXMBEY-SNVBAGLBSA-N 1 3 216.394 1.941 10 0 BDAEHO CC(C)Cn1cc([C@@H]2NCC23CC[NH2+]CC3)cn1 ZINC000536956831 360007594 /nfs/dbraw/zinc/00/75/94/360007594.db2.gz AKLMSAAZRSOUGU-ZDUSSCGKSA-N 1 3 248.374 1.553 10 0 BDAEHO C[C@@H](CCNCCO)[N@H+](C)Cc1ccccc1 ZINC000306584031 360483424 /nfs/dbraw/zinc/48/34/24/360483424.db2.gz FXNIQOJUKLXVBW-ZDUSSCGKSA-N 1 3 236.359 1.479 10 0 BDAEHO C[C@@H](CCNCCO)[N@@H+](C)Cc1ccccc1 ZINC000306584031 360483427 /nfs/dbraw/zinc/48/34/27/360483427.db2.gz FXNIQOJUKLXVBW-ZDUSSCGKSA-N 1 3 236.359 1.479 10 0 BDAEHO CSC1CC[NH+]([C@H]2CCC[C@@H]2N)CC1 ZINC000300838964 360532586 /nfs/dbraw/zinc/53/25/86/360532586.db2.gz LUVICCCHZDZAKD-QWRGUYRKSA-N 1 3 214.378 1.694 10 0 BDAEHO CCC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)N(C)C ZINC000162911308 361186621 /nfs/dbraw/zinc/18/66/21/361186621.db2.gz KOWOCLCICRTTSI-NSHDSACASA-N 1 3 243.395 1.221 10 0 BDAEHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000579227550 366738298 /nfs/dbraw/zinc/73/82/98/366738298.db2.gz OXTRFMRFUNNBCV-QWHCGFSZSA-N 1 3 242.407 1.715 10 0 BDAEHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)C(C)(C)C)C1 ZINC000579227550 366738304 /nfs/dbraw/zinc/73/83/04/366738304.db2.gz OXTRFMRFUNNBCV-QWHCGFSZSA-N 1 3 242.407 1.715 10 0 BDAEHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)C(C)(C)C)C1 ZINC000579227550 366738310 /nfs/dbraw/zinc/73/83/10/366738310.db2.gz OXTRFMRFUNNBCV-QWHCGFSZSA-N 1 3 242.407 1.715 10 0 BDAEHO FC1(F)C[C@H]1CC[NH2+][C@@H]1CCCNCC1 ZINC000622044060 370675721 /nfs/dbraw/zinc/67/57/21/370675721.db2.gz SZXRTCIOKAMTFO-NXEZZACHSA-N 1 3 218.291 1.763 10 0 BDAEHO [NH3+]C1CCC(CNCc2nccs2)CC1 ZINC000049539012 181341473 /nfs/dbraw/zinc/34/14/73/181341473.db2.gz WMWZGKJZMMFKPT-UHFFFAOYSA-N 1 3 225.361 1.750 10 0 BDAEHO [NH3+]C1CCC(NCc2ccc(Cl)nn2)CC1 ZINC000095072140 181341602 /nfs/dbraw/zinc/34/16/02/181341602.db2.gz JREKBTAHPHKVRN-UHFFFAOYSA-N 1 3 240.738 1.490 10 0 BDAEHO CC[C@H](C)CN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630359390 364079839 /nfs/dbraw/zinc/07/98/39/364079839.db2.gz CTJSPKXEPPLGQS-SDDRHHMPSA-N 1 3 214.353 1.471 10 0 BDAEHO C[C@]1([NH3+])CC=C(c2ccc(CN)c(F)n2)CC1 ZINC000725271718 541339600 /nfs/dbraw/zinc/33/96/00/541339600.db2.gz AYJWFRCPNCDZEA-ZDUSSCGKSA-N 1 3 235.306 1.964 10 0 BDAEHO [NH3+]CC1(CN2CCC[C@H](CO)C2)CCCCC1 ZINC000051206154 181358898 /nfs/dbraw/zinc/35/88/98/181358898.db2.gz UREPYCKCUYUGBG-ZDUSSCGKSA-N 1 3 240.391 1.600 10 0 BDAEHO NCC1(C[N@@H+]2CCC[C@@H](O)C2)CCCCC1 ZINC000051257059 181359471 /nfs/dbraw/zinc/35/94/71/181359471.db2.gz DRKDDOSNLIKJFE-GFCCVEGCSA-N 1 3 226.364 1.352 10 0 BDAEHO NCC1(C[N@H+]2CCC[C@@H](O)C2)CCCCC1 ZINC000051257059 181359475 /nfs/dbraw/zinc/35/94/75/181359475.db2.gz DRKDDOSNLIKJFE-GFCCVEGCSA-N 1 3 226.364 1.352 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)[C@H]1CCCNC1 ZINC000573555639 364858039 /nfs/dbraw/zinc/85/80/39/364858039.db2.gz LVXLQCIBXUDVPO-XDQVBPFNSA-N 1 3 240.391 1.515 10 0 BDAEHO NCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000037712271 181397657 /nfs/dbraw/zinc/39/76/57/181397657.db2.gz WIIHYNOPIXIBFD-UHFFFAOYSA-N 1 3 218.222 1.754 10 0 BDAEHO CCC[C@H](CCO)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000565769205 325953409 /nfs/dbraw/zinc/95/34/09/325953409.db2.gz QUPCGDVJTGLLLK-MGPQQGTHSA-N 1 3 242.407 1.763 10 0 BDAEHO [NH3+]C[C@H]1CNC[C@@H](COc2ccccc2)C1 ZINC000038458045 368326794 /nfs/dbraw/zinc/32/67/94/368326794.db2.gz RPHGNNWPPGODRX-RYUDHWBXSA-N 1 3 220.316 1.250 10 0 BDAEHO NC[C@H]1C[NH2+]C[C@@H](COc2ccccc2)C1 ZINC000038458045 368326798 /nfs/dbraw/zinc/32/67/98/368326798.db2.gz RPHGNNWPPGODRX-RYUDHWBXSA-N 1 3 220.316 1.250 10 0 BDAEHO CO[C@H](CN1C[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000631836832 369084555 /nfs/dbraw/zinc/08/45/55/369084555.db2.gz HQWKNAMIYXMLGD-NWANDNLSSA-N 1 3 248.370 1.901 10 0 BDAEHO CC(C)N(C)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567642383 326237286 /nfs/dbraw/zinc/23/72/86/326237286.db2.gz ROZRBJGAZYUOED-QWHCGFSZSA-N 1 3 227.396 1.304 10 0 BDAEHO C[C@H]([NH2+][C@H](CO)CC(C)(C)C)[C@H]1CCCNC1 ZINC000567647066 326238084 /nfs/dbraw/zinc/23/80/84/326238084.db2.gz QVCQXMOIBLHKML-AVGNSLFASA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@H](N[C@H](CO)CC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000567647066 326238087 /nfs/dbraw/zinc/23/80/87/326238087.db2.gz QVCQXMOIBLHKML-AVGNSLFASA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@@H]1SCCN(C/C=C/C[NH3+])[C@H]1C ZINC000132430001 371818581 /nfs/dbraw/zinc/81/85/81/371818581.db2.gz APSZLGCSQMPINC-OHINUGQQSA-N 1 3 200.351 1.327 10 0 BDAEHO C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000521858996 259554208 /nfs/dbraw/zinc/55/42/08/259554208.db2.gz MCSIPWLQBLQQJF-IRCOFANPSA-N 1 3 226.364 1.124 10 0 BDAEHO Cc1cnccc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837459 372626832 /nfs/dbraw/zinc/62/68/32/372626832.db2.gz SLRPOPNZUSZDBJ-YPMHNXCESA-N 1 3 219.332 1.417 10 0 BDAEHO COc1ccc(CC[N@@H+]2C[C@H](C)[C@@H](CN)C2)cc1 ZINC000631842784 372641444 /nfs/dbraw/zinc/64/14/44/372641444.db2.gz FSDDHOORHKTCAZ-JSGCOSHPSA-N 1 3 248.370 1.764 10 0 BDAEHO COc1ccc(CC[N@H+]2C[C@H](C)[C@@H](CN)C2)cc1 ZINC000631842784 372641447 /nfs/dbraw/zinc/64/14/47/372641447.db2.gz FSDDHOORHKTCAZ-JSGCOSHPSA-N 1 3 248.370 1.764 10 0 BDAEHO COc1ccc(CCN2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631842784 372641451 /nfs/dbraw/zinc/64/14/51/372641451.db2.gz FSDDHOORHKTCAZ-JSGCOSHPSA-N 1 3 248.370 1.764 10 0 BDAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+][C@@H](CC)CO)C1 ZINC000037221575 169198348 /nfs/dbraw/zinc/19/83/48/169198348.db2.gz XPKNHYOJXLTQIX-RDBSUJKOSA-N 1 3 242.407 1.857 10 0 BDAEHO CCC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H](CC)CO)C1 ZINC000037221575 169198350 /nfs/dbraw/zinc/19/83/50/169198350.db2.gz XPKNHYOJXLTQIX-RDBSUJKOSA-N 1 3 242.407 1.857 10 0 BDAEHO CCC[N@H+]1CCC[C@H]([C@@H](C)N[C@@H](CC)CO)C1 ZINC000037221575 169198352 /nfs/dbraw/zinc/19/83/52/169198352.db2.gz XPKNHYOJXLTQIX-RDBSUJKOSA-N 1 3 242.407 1.857 10 0 BDAEHO CCCN1CCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC000054134884 169202290 /nfs/dbraw/zinc/20/22/90/169202290.db2.gz KZHAILSDAWEEOT-CYBMUJFWSA-N 1 3 225.380 1.156 10 0 BDAEHO CCCN1CCN([C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037157875 169203621 /nfs/dbraw/zinc/20/36/21/169203621.db2.gz HLDHSCJGRDNIPD-CHWSQXEVSA-N 1 3 225.380 1.141 10 0 BDAEHO c1cc(NCCCOC2CC[NH2+]CC2)ccn1 ZINC000104388271 183356649 /nfs/dbraw/zinc/35/66/49/183356649.db2.gz NEMWMCAACNKGNI-UHFFFAOYSA-N 1 3 235.331 1.652 10 0 BDAEHO CCC[NH2+][C@H](C)CN1CCN(CC(C)C)CC1 ZINC000055079386 169286303 /nfs/dbraw/zinc/28/63/03/169286303.db2.gz SHIACWYJNKCLSZ-CQSZACIVSA-N 1 3 241.423 1.648 10 0 BDAEHO CCC[NH2+]C[C@@](C)(CC)CN(C)CCN(C)C ZINC000104189022 169263404 /nfs/dbraw/zinc/26/34/04/169263404.db2.gz CPOJPKGCHUOJPY-CQSZACIVSA-N 1 3 243.439 1.896 10 0 BDAEHO CCC[NH2+]C[C@@]1(CN(C)CC(C)C)CCOC1 ZINC000051215643 169264048 /nfs/dbraw/zinc/26/40/48/169264048.db2.gz GAJFLEKORCKZRE-CQSZACIVSA-N 1 3 242.407 1.981 10 0 BDAEHO CCC[NH2+][C@@H]1CCCC[C@H]1CN1CC[C@H](O)C1 ZINC000061712020 169281984 /nfs/dbraw/zinc/28/19/84/169281984.db2.gz ULFOZFICCKPZIP-MELADBBJSA-N 1 3 240.391 1.611 10 0 BDAEHO CCC[C@@H](N)[C@H](CC)[N@H+](C)C1CCN(C)CC1 ZINC000054320097 169392608 /nfs/dbraw/zinc/39/26/08/169392608.db2.gz OHQNAIASECKDLS-KGLIPLIRSA-N 1 3 241.423 1.918 10 0 BDAEHO CCC[C@@H](N)[C@H](CC)[N@@H+](C)C1CCN(C)CC1 ZINC000054320097 169392610 /nfs/dbraw/zinc/39/26/10/169392610.db2.gz OHQNAIASECKDLS-KGLIPLIRSA-N 1 3 241.423 1.918 10 0 BDAEHO [NH3+][C@@H]1CCCC[C@@H]1CN1CCSCC1 ZINC000060743759 383841397 /nfs/dbraw/zinc/84/13/97/383841397.db2.gz XAWAUWTUQHTTTN-GHMZBOCLSA-N 1 3 214.378 1.553 10 0 BDAEHO C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400367487 384205732 /nfs/dbraw/zinc/20/57/32/384205732.db2.gz FRVPZUKHAKSHJS-OOCWMUITSA-N 1 3 212.337 1.140 10 0 BDAEHO c1ccc2c(c1)CN([C@H]1CC[NH2+]C1)C=N2 ZINC000095081073 384357513 /nfs/dbraw/zinc/35/75/13/384357513.db2.gz PCRZVTQUCCNQDX-NSHDSACASA-N 1 3 201.273 1.524 10 0 BDAEHO CCC[C@H](CNC1CC[NH2+]CC1)OC ZINC000356324098 384623831 /nfs/dbraw/zinc/62/38/31/384623831.db2.gz SMKNKMSOJNOWOK-LLVKDONJSA-N 1 3 200.326 1.143 10 0 BDAEHO CCC[C@H](C[NH2+]C1CCNCC1)OC ZINC000356324098 384623838 /nfs/dbraw/zinc/62/38/38/384623838.db2.gz SMKNKMSOJNOWOK-LLVKDONJSA-N 1 3 200.326 1.143 10 0 BDAEHO FC1(F)CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000335034931 385923045 /nfs/dbraw/zinc/92/30/45/385923045.db2.gz QCXFHRPSHHECGZ-SNVBAGLBSA-N 1 3 218.291 1.906 10 0 BDAEHO FC1(F)CCC[C@@H](NC2CC[NH2+]CC2)C1 ZINC000335034931 385923046 /nfs/dbraw/zinc/92/30/46/385923046.db2.gz QCXFHRPSHHECGZ-SNVBAGLBSA-N 1 3 218.291 1.906 10 0 BDAEHO C[C@@H]1COC[C@@H](C)N1CCCC1CC[NH2+]CC1 ZINC000647886636 386298886 /nfs/dbraw/zinc/29/88/86/386298886.db2.gz DMHIIUHMMRLCOF-CHWSQXEVSA-N 1 3 240.391 1.875 10 0 BDAEHO CCOCCCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000519539973 386485522 /nfs/dbraw/zinc/48/55/22/386485522.db2.gz UGLBNNVTULRRHX-OLZOCXBDSA-N 1 3 228.380 1.781 10 0 BDAEHO COc1cccc(OC)c1[C@@H](N)CCC[NH3+] ZINC000575440044 387127569 /nfs/dbraw/zinc/12/75/69/387127569.db2.gz HWZFEXOTVXORLW-VIFPVBQESA-N 1 3 224.304 1.443 10 0 BDAEHO N[C@H](CCC[NH3+])c1cc(F)cc(F)c1F ZINC000575440066 387127790 /nfs/dbraw/zinc/12/77/90/387127790.db2.gz SHASXDLROCLUOC-SECBINFHSA-N 1 3 218.222 1.843 10 0 BDAEHO CC(C)[C@H](C)N1C[C@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000536955022 387167421 /nfs/dbraw/zinc/16/74/21/387167421.db2.gz OLUWZHNGYGQWGX-AVGNSLFASA-N 1 3 210.365 1.962 10 0 BDAEHO CO[C@H](C)CC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000643464088 387355486 /nfs/dbraw/zinc/35/54/86/387355486.db2.gz SOWILKAIHXIRLU-IJLUTSLNSA-N 1 3 214.353 1.389 10 0 BDAEHO CO[C@H](C)CC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000643464087 387355501 /nfs/dbraw/zinc/35/55/01/387355501.db2.gz SOWILKAIHXIRLU-GRYCIOLGSA-N 1 3 214.353 1.389 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCNC1 ZINC000643456028 387495650 /nfs/dbraw/zinc/49/56/50/387495650.db2.gz UXFAKPYKRWELRY-UMSGYPCISA-N 1 3 226.364 1.268 10 0 BDAEHO C[C@H](COCc1ccccc1)N[C@@H](C)C1C[NH2+]C1 ZINC000422795536 387696904 /nfs/dbraw/zinc/69/69/04/387696904.db2.gz VWZYBBOFKNPUQY-OLZOCXBDSA-N 1 3 248.370 1.789 10 0 BDAEHO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)C1CNC1 ZINC000422795536 387696909 /nfs/dbraw/zinc/69/69/09/387696909.db2.gz VWZYBBOFKNPUQY-OLZOCXBDSA-N 1 3 248.370 1.789 10 0 BDAEHO CCOC1CC(CC[NH2+][C@@H]2CCNC2)C1 ZINC000423074802 387874050 /nfs/dbraw/zinc/87/40/50/387874050.db2.gz VIZAVTWUZBCMKL-MOENNCHZSA-N 1 3 212.337 1.143 10 0 BDAEHO C[C@@H]1CC(C[NH2+][C@@H]2CCC[C@@H]2CN)C[C@@H](C)O1 ZINC000423108522 387894084 /nfs/dbraw/zinc/89/40/84/387894084.db2.gz TXIOGSBDYPXXRR-HBJVGIJOSA-N 1 3 240.391 1.907 10 0 BDAEHO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCNCC2)C[C@H](C)O1 ZINC000423099736 387887495 /nfs/dbraw/zinc/88/74/95/387887495.db2.gz MJUWCPNVUQCREF-XJFOESAGSA-N 1 3 240.391 1.922 10 0 BDAEHO Cc1cccnc1CCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423158958 387939895 /nfs/dbraw/zinc/93/98/95/387939895.db2.gz XOMZWGYBFOPDQX-KBPBESRZSA-N 1 3 247.386 1.910 10 0 BDAEHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000423215440 387997625 /nfs/dbraw/zinc/99/76/25/387997625.db2.gz NWCNTHXOSBNGDE-AOWPKACXSA-N 1 3 208.349 1.904 10 0 BDAEHO CN(Cc1ccccc1)[C@H]1CC[C@H]([NH3+])C1 ZINC000071509209 388096405 /nfs/dbraw/zinc/09/64/05/388096405.db2.gz SUEVMBMZZZPHAP-STQMWFEESA-N 1 3 204.317 1.998 10 0 BDAEHO C[C@@H](NC1Cc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000335044252 388448436 /nfs/dbraw/zinc/44/84/36/388448436.db2.gz XWVIEFDYFGWSFZ-BXUZGUMPSA-N 1 3 230.355 1.741 10 0 BDAEHO C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000530224848 388633725 /nfs/dbraw/zinc/63/37/25/388633725.db2.gz MQHYSVZIJPECBY-XARVFOJUSA-N 1 3 226.364 1.386 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000530224379 388634761 /nfs/dbraw/zinc/63/47/61/388634761.db2.gz LVTWJOKFUZNQIK-RXGFPQBGSA-N 1 3 226.364 1.530 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000530224379 388634764 /nfs/dbraw/zinc/63/47/64/388634764.db2.gz LVTWJOKFUZNQIK-RXGFPQBGSA-N 1 3 226.364 1.530 10 0 BDAEHO CCC[C@H](O)CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566089199 388986680 /nfs/dbraw/zinc/98/66/80/388986680.db2.gz FGDIYWIMBITZSS-TUAOUCFPSA-N 1 3 214.353 1.125 10 0 BDAEHO CCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000566089199 388986682 /nfs/dbraw/zinc/98/66/82/388986682.db2.gz FGDIYWIMBITZSS-TUAOUCFPSA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)C[C@H](CO)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000566090794 388987229 /nfs/dbraw/zinc/98/72/29/388987229.db2.gz OWDXABWRDAZORL-FRRDWIJNSA-N 1 3 228.380 1.371 10 0 BDAEHO CC(C)C[C@H](CO)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566090794 388987231 /nfs/dbraw/zinc/98/72/31/388987231.db2.gz OWDXABWRDAZORL-FRRDWIJNSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@@H](NCCCOCC1CC1)[C@@H]1CC[NH2+]C1 ZINC000400380252 533386464 /nfs/dbraw/zinc/38/64/64/533386464.db2.gz KAILHMDGQVYTJU-DGCLKSJQSA-N 1 3 226.364 1.391 10 0 BDAEHO C[C@@H](NC[C@H]1CC[C@@H](C)O1)[C@H]1CC[NH2+]C1 ZINC000400422387 533434523 /nfs/dbraw/zinc/43/45/23/533434523.db2.gz XJIHDSXURSAFAA-WISYIIOYSA-N 1 3 212.337 1.142 10 0 BDAEHO CCN1CCN(c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000019865931 132328076 /nfs/dbraw/zinc/32/80/76/132328076.db2.gz ZTHLKSUMGBZNMN-UHFFFAOYSA-N 1 3 232.331 1.113 10 0 BDAEHO C(C1CCOCC1)[N@@H+]1C[C@H]2CCCN[C@@H]2C1 ZINC000221424199 134324261 /nfs/dbraw/zinc/32/42/61/134324261.db2.gz FYQDJCQDTVUZDS-CHWSQXEVSA-N 1 3 224.348 1.097 10 0 BDAEHO C(C1CCOCC1)[N@H+]1C[C@H]2CCCN[C@@H]2C1 ZINC000221424199 134324262 /nfs/dbraw/zinc/32/42/62/134324262.db2.gz FYQDJCQDTVUZDS-CHWSQXEVSA-N 1 3 224.348 1.097 10 0 BDAEHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCO ZINC000086500702 135087331 /nfs/dbraw/zinc/08/73/31/135087331.db2.gz QBIBFCGVAPHWCB-NWDGAFQWSA-N 1 3 214.353 1.269 10 0 BDAEHO O[C@@H]1CC[C@@H]2CN(CCC[NH+]3CCCC3)C[C@H]12 ZINC000252857405 135114182 /nfs/dbraw/zinc/11/41/82/135114182.db2.gz IJRSMFUJKWIHKZ-HZSPNIEDSA-N 1 3 238.375 1.175 10 0 BDAEHO O[C@H]1C[NH2+]C[C@@H]1CNCCC1CCCCC1 ZINC000263317185 135346540 /nfs/dbraw/zinc/34/65/40/135346540.db2.gz ZQROLJWDWGROEP-STQMWFEESA-N 1 3 226.364 1.127 10 0 BDAEHO CC(C)C[C@H](CN[C@@H]1CCC[NH2+]CC1)N(C)C ZINC000128921608 398098241 /nfs/dbraw/zinc/09/82/41/398098241.db2.gz YKSBFQYETXTMBS-ZIAGYGMSSA-N 1 3 241.423 1.694 10 0 BDAEHO CC(C)C[NH2+]C[C@@H]1CCN([C@@H]2CCN(C)C2)C1 ZINC000053031644 167006182 /nfs/dbraw/zinc/00/61/82/167006182.db2.gz DPDNNBSOIIQCAC-UONOGXRCSA-N 1 3 239.407 1.258 10 0 BDAEHO CC(C)C[C@H](CN(C)C)NC(=O)C[NH2+]C(C)C ZINC000037609861 487559965 /nfs/dbraw/zinc/55/99/65/487559965.db2.gz XXGBANNFFOKRFO-GFCCVEGCSA-N 1 3 243.395 1.077 10 0 BDAEHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H]1CNC[C@H]1O ZINC000262107139 487588846 /nfs/dbraw/zinc/58/88/46/487588846.db2.gz JSPXPFFKWPZHGA-FVCCEPFGSA-N 1 3 240.391 1.371 10 0 BDAEHO C[C@H](Cc1ccccn1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000656193366 411200909 /nfs/dbraw/zinc/20/09/09/411200909.db2.gz IFMFKPZUFVINOQ-FRRDWIJNSA-N 1 3 233.359 1.600 10 0 BDAEHO CC1CCN(Cc2cc(C[NH3+])co2)CC1 ZINC000052377065 168184382 /nfs/dbraw/zinc/18/43/82/168184382.db2.gz UFCFWBZVPYWQOM-UHFFFAOYSA-N 1 3 208.305 1.970 10 0 BDAEHO CCN1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000336906988 170022291 /nfs/dbraw/zinc/02/22/91/170022291.db2.gz YKYGDMAGLMJXMK-HZSPNIEDSA-N 1 3 237.391 1.297 10 0 BDAEHO CCN1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000336906988 170022292 /nfs/dbraw/zinc/02/22/92/170022292.db2.gz YKYGDMAGLMJXMK-HZSPNIEDSA-N 1 3 237.391 1.297 10 0 BDAEHO CC[NH2+]CC(CC)(CC)CN(C)CCN(C)C ZINC000104191225 170110529 /nfs/dbraw/zinc/11/05/29/170110529.db2.gz VJUXCLOASKHZAA-UHFFFAOYSA-N 1 3 243.439 1.896 10 0 BDAEHO CC[NH2+]C[C@@H](C)N1CCN(C2CCCC2)CC1 ZINC000052573447 170118900 /nfs/dbraw/zinc/11/89/00/170118900.db2.gz VDTIYLDIWBEZBO-CYBMUJFWSA-N 1 3 239.407 1.545 10 0 BDAEHO CCNC[C@@H](O)C[N@H+](CCOC)C(CC)CC ZINC000042615902 170119226 /nfs/dbraw/zinc/11/92/26/170119226.db2.gz QYRVVEWVESJZGK-CYBMUJFWSA-N 1 3 246.395 1.094 10 0 BDAEHO CCNC[C@@H](O)C[N@@H+](CCOC)C(CC)CC ZINC000042615902 170119228 /nfs/dbraw/zinc/11/92/28/170119228.db2.gz QYRVVEWVESJZGK-CYBMUJFWSA-N 1 3 246.395 1.094 10 0 BDAEHO CC[NH2+]C[C@@H](O)CN(CCOC)C(CC)CC ZINC000042615902 170119229 /nfs/dbraw/zinc/11/92/29/170119229.db2.gz QYRVVEWVESJZGK-CYBMUJFWSA-N 1 3 246.395 1.094 10 0 BDAEHO CC[NH2+]C[C@H](C)CN(CCCOC)CCOC ZINC000052543214 170121636 /nfs/dbraw/zinc/12/16/36/170121636.db2.gz CRSBPBHKQHEISD-ZDUSSCGKSA-N 1 3 246.395 1.217 10 0 BDAEHO CC[NH2+][C@@H](C)[C@@H]1CCCN([C@@H]2CCC[C@@H]2O)C1 ZINC000104420279 170140750 /nfs/dbraw/zinc/14/07/50/170140750.db2.gz UMVHJIDKZMECFY-DGAVXFQQSA-N 1 3 240.391 1.610 10 0 BDAEHO CCOCCC[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000076519208 170380475 /nfs/dbraw/zinc/38/04/75/170380475.db2.gz MAZRGEDJWSHVIH-ZDUSSCGKSA-N 1 3 228.380 1.733 10 0 BDAEHO CC[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H](C)C[NH2+]1 ZINC000049662857 171011060 /nfs/dbraw/zinc/01/10/60/171011060.db2.gz NSOSETYSNPKYAB-MCIONIFRSA-N 1 3 240.391 1.875 10 0 BDAEHO CC[C@@H]1CN(CCC[NH2+]C(C)(C)C)CCN1C ZINC000104141460 171080650 /nfs/dbraw/zinc/08/06/50/171080650.db2.gz VNRRAXXYOGOOSQ-CYBMUJFWSA-N 1 3 241.423 1.791 10 0 BDAEHO CC[C@H](C)C[N@H+](C)C[C@]1(CNC)CCCOC1 ZINC000104317391 171275367 /nfs/dbraw/zinc/27/53/67/171275367.db2.gz XOGISDTZUIJYDY-UONOGXRCSA-N 1 3 242.407 1.981 10 0 BDAEHO CC[C@H](C)C[N@@H+](C)C[C@]1(CNC)CCCOC1 ZINC000104317391 171275368 /nfs/dbraw/zinc/27/53/68/171275368.db2.gz XOGISDTZUIJYDY-UONOGXRCSA-N 1 3 242.407 1.981 10 0 BDAEHO CC[C@H](C)CN(C)C[C@]1(C[NH2+]C)CCCOC1 ZINC000104317391 171275369 /nfs/dbraw/zinc/27/53/69/171275369.db2.gz XOGISDTZUIJYDY-UONOGXRCSA-N 1 3 242.407 1.981 10 0 BDAEHO CC[C@H](C)N1CCN(C(CC)(CC)C[NH3+])CC1 ZINC000055064712 171318535 /nfs/dbraw/zinc/31/85/35/171318535.db2.gz WRTJOALUFZQRBO-ZDUSSCGKSA-N 1 3 241.423 1.920 10 0 BDAEHO CC[C@H](C)N1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000055066976 171318736 /nfs/dbraw/zinc/31/87/36/171318736.db2.gz RSCXTZHOOIVXKU-UONOGXRCSA-N 1 3 239.407 1.402 10 0 BDAEHO C[C@H](N[C@@H]1CCN(C(C)(C)C)C1)[C@H]1CC[NH2+]C1 ZINC000665236912 412177198 /nfs/dbraw/zinc/17/71/98/412177198.db2.gz WHVFBWJWBNQOHF-RWMBFGLXSA-N 1 3 239.407 1.447 10 0 BDAEHO c1cc(CCN[C@H]2CCC[NH2+]CC2)co1 ZINC000665261834 412204549 /nfs/dbraw/zinc/20/45/49/412204549.db2.gz MNRJXEFUWCRIMS-LBPRGKRZSA-N 1 3 208.305 1.554 10 0 BDAEHO CN(C)C[C@H]1CCCN1[C@@H]1CCCC[NH2+]C1 ZINC000061655225 172495959 /nfs/dbraw/zinc/49/59/59/172495959.db2.gz OKZZOEOZYWBLFY-CHWSQXEVSA-N 1 3 225.380 1.155 10 0 BDAEHO CN1CCCC[C@H]1CC[NH2+]CCn1ccnc1 ZINC000049857922 173007649 /nfs/dbraw/zinc/00/76/49/173007649.db2.gz OGCBRRFJQJGUNB-ZDUSSCGKSA-N 1 3 236.363 1.347 10 0 BDAEHO C[N@@H+]1CCCC[C@H]1CCNCCn1ccnc1 ZINC000049857922 173007652 /nfs/dbraw/zinc/00/76/52/173007652.db2.gz OGCBRRFJQJGUNB-ZDUSSCGKSA-N 1 3 236.363 1.347 10 0 BDAEHO C[N@H+]1CCCC[C@H]1CCNCCn1ccnc1 ZINC000049857922 173007654 /nfs/dbraw/zinc/00/76/54/173007654.db2.gz OGCBRRFJQJGUNB-ZDUSSCGKSA-N 1 3 236.363 1.347 10 0 BDAEHO CN1CCCN(CC[C@H]([NH3+])C(C)(C)C)CC1 ZINC000054027331 173014434 /nfs/dbraw/zinc/01/44/34/173014434.db2.gz SAIRNYFOFVUHDD-LBPRGKRZSA-N 1 3 227.396 1.387 10 0 BDAEHO CN(CC1([NH3+])CCCC1)[C@H]1CCCN(C)C1 ZINC000053247625 173043675 /nfs/dbraw/zinc/04/36/75/173043675.db2.gz ILXVEOGVOUGCET-LBPRGKRZSA-N 1 3 225.380 1.284 10 0 BDAEHO C[N@@H+]1CCC[C@H]1CCN1CC[C@H](CCO)C1 ZINC000336697137 173052907 /nfs/dbraw/zinc/05/29/07/173052907.db2.gz HVXSSAVIFAXPEG-OLZOCXBDSA-N 1 3 226.364 1.175 10 0 BDAEHO C[N@H+]1CCC[C@H]1CCN1CC[C@H](CCO)C1 ZINC000336697137 173052908 /nfs/dbraw/zinc/05/29/08/173052908.db2.gz HVXSSAVIFAXPEG-OLZOCXBDSA-N 1 3 226.364 1.175 10 0 BDAEHO CN(Cc1ccccc1)C[C@@H]1CN(C)CC[C@H]1[NH3+] ZINC000058081895 173119861 /nfs/dbraw/zinc/11/98/61/173119861.db2.gz PZNCCKNONWHSRL-LSDHHAIUSA-N 1 3 247.386 1.397 10 0 BDAEHO CN1CC[C@H](CNC2=[NH+]CCCS2)C1 ZINC000037485223 173147557 /nfs/dbraw/zinc/14/75/57/173147557.db2.gz UHTGQBXCGVBGDT-SECBINFHSA-N 1 3 213.350 1.021 10 0 BDAEHO C[NH2+]C[C@@H]1CCCN(C2CCOCC2)C1 ZINC000040593340 173367662 /nfs/dbraw/zinc/36/76/62/173367662.db2.gz ITKOVHUSIJWGHZ-NSHDSACASA-N 1 3 212.337 1.097 10 0 BDAEHO CNC[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000040593340 173367663 /nfs/dbraw/zinc/36/76/63/173367663.db2.gz ITKOVHUSIJWGHZ-NSHDSACASA-N 1 3 212.337 1.097 10 0 BDAEHO CNC[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000040593340 173367664 /nfs/dbraw/zinc/36/76/64/173367664.db2.gz ITKOVHUSIJWGHZ-NSHDSACASA-N 1 3 212.337 1.097 10 0 BDAEHO CNC[C@@]1(C[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC000051210270 173372989 /nfs/dbraw/zinc/37/29/89/173372989.db2.gz HUTDQLIBKHZQHZ-QWHCGFSZSA-N 1 3 226.364 1.344 10 0 BDAEHO CNC[C@@]1(C[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC000051210270 173372990 /nfs/dbraw/zinc/37/29/90/173372990.db2.gz HUTDQLIBKHZQHZ-QWHCGFSZSA-N 1 3 226.364 1.344 10 0 BDAEHO C[NH2+]C[C@@]1(CN2CCC[C@H](C)C2)CCOC1 ZINC000051210270 173372992 /nfs/dbraw/zinc/37/29/92/173372992.db2.gz HUTDQLIBKHZQHZ-QWHCGFSZSA-N 1 3 226.364 1.344 10 0 BDAEHO C[NH2+]C[C@H](C(C)C)N1CCN(C(C)(C)C)CC1 ZINC000052571549 173373294 /nfs/dbraw/zinc/37/32/94/173373294.db2.gz JGUMHXUEHVZNHP-CYBMUJFWSA-N 1 3 241.423 1.647 10 0 BDAEHO CNCc1cc(OCC[C@H]2CCC[N@@H+]2C)ccn1 ZINC000051549408 173387549 /nfs/dbraw/zinc/38/75/49/173387549.db2.gz JJVOVTDTUZNRPV-CYBMUJFWSA-N 1 3 249.358 1.664 10 0 BDAEHO CNCc1cc(OCC[C@H]2CCC[N@H+]2C)ccn1 ZINC000051549408 173387551 /nfs/dbraw/zinc/38/75/51/173387551.db2.gz JJVOVTDTUZNRPV-CYBMUJFWSA-N 1 3 249.358 1.664 10 0 BDAEHO C[NH2+]Cc1ccoc1CN1CCCCC1 ZINC000052421184 173391584 /nfs/dbraw/zinc/39/15/84/173391584.db2.gz VPRBJWLDECYTCR-UHFFFAOYSA-N 1 3 208.305 1.985 10 0 BDAEHO COC1CCN(CC2(C[NH3+])CCCC2)CC1 ZINC000051216247 174028096 /nfs/dbraw/zinc/02/80/96/174028096.db2.gz UDHFPCHHILGZRP-UHFFFAOYSA-N 1 3 226.364 1.616 10 0 BDAEHO COCCN(C)C[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000053971837 174278646 /nfs/dbraw/zinc/27/86/46/174278646.db2.gz PHBRIUHVNBYQGQ-OCCSQVGLSA-N 1 3 236.359 1.901 10 0 BDAEHO COCC[N@H+](C)C[C@@H](C)[C@H](N)c1ccccc1 ZINC000053971837 174278648 /nfs/dbraw/zinc/27/86/48/174278648.db2.gz PHBRIUHVNBYQGQ-OCCSQVGLSA-N 1 3 236.359 1.901 10 0 BDAEHO COCC[N@@H+](C)C[C@@H](C)[C@H](N)c1ccccc1 ZINC000053971837 174278650 /nfs/dbraw/zinc/27/86/50/174278650.db2.gz PHBRIUHVNBYQGQ-OCCSQVGLSA-N 1 3 236.359 1.901 10 0 BDAEHO COCC[N@H+]([C@H](C)COC)[C@@H]1CCCC[C@@H]1N ZINC000042607149 174303028 /nfs/dbraw/zinc/30/30/28/174303028.db2.gz RPWRTSRMAVMUOO-FRRDWIJNSA-N 1 3 244.379 1.240 10 0 BDAEHO COCC[N@@H+]([C@H](C)COC)[C@@H]1CCCC[C@@H]1N ZINC000042607149 174303030 /nfs/dbraw/zinc/30/30/30/174303030.db2.gz RPWRTSRMAVMUOO-FRRDWIJNSA-N 1 3 244.379 1.240 10 0 BDAEHO COCCNCCC[N@H+](C)Cc1ccccc1 ZINC000020048131 174332858 /nfs/dbraw/zinc/33/28/58/174332858.db2.gz OPNXCAFXFQNISG-UHFFFAOYSA-N 1 3 236.359 1.745 10 0 BDAEHO COCCNCCC[N@@H+](C)Cc1ccccc1 ZINC000020048131 174332860 /nfs/dbraw/zinc/33/28/60/174332860.db2.gz OPNXCAFXFQNISG-UHFFFAOYSA-N 1 3 236.359 1.745 10 0 BDAEHO COCCNCc1ccc(C[NH+](C)C)cc1 ZINC000045206704 174336244 /nfs/dbraw/zinc/33/62/44/174336244.db2.gz ZBJLBOJYYFIWCM-UHFFFAOYSA-N 1 3 222.332 1.484 10 0 BDAEHO C[C@@H]([NH3+])[C@H](C)N1CCN(C2CCCC2)CC1 ZINC000052061053 176010949 /nfs/dbraw/zinc/01/09/49/176010949.db2.gz SRJHYVUOZKCSFV-NEPJUHHUSA-N 1 3 225.380 1.282 10 0 BDAEHO C[C@@H]1CCN(Cc2ccccc2)C[C@H](O)[C@H]1[NH3+] ZINC000245204377 176175232 /nfs/dbraw/zinc/17/52/32/176175232.db2.gz AKYCYJKHFYEHSO-XBFCOCLRSA-N 1 3 234.343 1.217 10 0 BDAEHO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H](O)[C@H]1N ZINC000245204377 176175233 /nfs/dbraw/zinc/17/52/33/176175233.db2.gz AKYCYJKHFYEHSO-XBFCOCLRSA-N 1 3 234.343 1.217 10 0 BDAEHO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H](O)[C@H]1N ZINC000245204377 176175235 /nfs/dbraw/zinc/17/52/35/176175235.db2.gz AKYCYJKHFYEHSO-XBFCOCLRSA-N 1 3 234.343 1.217 10 0 BDAEHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H](O)[C@@H]1[NH3+] ZINC000021994301 176175781 /nfs/dbraw/zinc/17/57/81/176175781.db2.gz AKYCYJKHFYEHSO-MRVWCRGKSA-N 1 3 234.343 1.217 10 0 BDAEHO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H](O)[C@@H]1N ZINC000021994301 176175783 /nfs/dbraw/zinc/17/57/83/176175783.db2.gz AKYCYJKHFYEHSO-MRVWCRGKSA-N 1 3 234.343 1.217 10 0 BDAEHO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H](O)[C@@H]1N ZINC000021994301 176175785 /nfs/dbraw/zinc/17/57/85/176175785.db2.gz AKYCYJKHFYEHSO-MRVWCRGKSA-N 1 3 234.343 1.217 10 0 BDAEHO C[C@@H]1CN(Cc2ccc(C(N)=[NH2+])cc2)CCN1C ZINC000104135923 176302766 /nfs/dbraw/zinc/30/27/66/176302766.db2.gz YTWYTDQXOQKDHM-LLVKDONJSA-N 1 3 246.358 1.107 10 0 BDAEHO C[C@H]1CCC[C@](C[NH3+])(N2CCCOCC2)C1 ZINC000061916617 177143750 /nfs/dbraw/zinc/14/37/50/177143750.db2.gz FGWJJXRXLQCEHY-STQMWFEESA-N 1 3 226.364 1.616 10 0 BDAEHO C[C@H]1CN(C2(C[NH3+])CCCC2)CCCO1 ZINC000061916234 177240061 /nfs/dbraw/zinc/24/00/61/177240061.db2.gz ZZMCEFKWJBEAAZ-NSHDSACASA-N 1 3 212.337 1.369 10 0 BDAEHO C[C@H]1CN([C@@](C)(C[NH3+])C2CC2)CCCO1 ZINC000061915168 177275713 /nfs/dbraw/zinc/27/57/13/177275713.db2.gz VZOLMKMGUYIHNG-JQWIXIFHSA-N 1 3 212.337 1.225 10 0 BDAEHO C[C@H]1C[NH2+]CCN(C[C@@H]2CCCCN2C)C1 ZINC000044564206 177282354 /nfs/dbraw/zinc/28/23/54/177282354.db2.gz HSSPRCBDGMSDRF-STQMWFEESA-N 1 3 225.380 1.012 10 0 BDAEHO C[C@H](CN1CCCCC1)NC1=[NH+][C@@H](C)CS1 ZINC000049502359 177303065 /nfs/dbraw/zinc/30/30/65/177303065.db2.gz ZNOLHQBULNBZNM-MNOVXSKESA-N 1 3 241.404 1.942 10 0 BDAEHO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@@H]1CCCNC1 ZINC000667007663 487927707 /nfs/dbraw/zinc/92/77/07/487927707.db2.gz NCXAGDQSOMNRDF-TUAOUCFPSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@H](NC[C@H](O)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000667007663 487927715 /nfs/dbraw/zinc/92/77/15/487927715.db2.gz NCXAGDQSOMNRDF-TUAOUCFPSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@@H](CNC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000398338608 323006758 /nfs/dbraw/zinc/00/67/58/323006758.db2.gz FHGMPCODHFJEMK-STQMWFEESA-N 1 3 218.344 1.989 10 0 BDAEHO C[C@H](NCCc1ccc(O)cc1)[C@@H]1CC[NH2+]C1 ZINC000400779911 324168289 /nfs/dbraw/zinc/16/82/89/324168289.db2.gz PBLASQLRQKKGMC-WCQYABFASA-N 1 3 234.343 1.522 10 0 BDAEHO CN(C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCSC2)C1 ZINC000131779450 325183010 /nfs/dbraw/zinc/18/30/10/325183010.db2.gz FDDMZRGGPSWUGO-MXWKQRLJSA-N 1 3 214.378 1.564 10 0 BDAEHO C[NH+](C)[C@H]1CC[C@@H](N[C@@H]2CCSC2)C1 ZINC000131779450 325183011 /nfs/dbraw/zinc/18/30/11/325183011.db2.gz FDDMZRGGPSWUGO-MXWKQRLJSA-N 1 3 214.378 1.564 10 0 BDAEHO CCC[C@H](N)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404887365 326102035 /nfs/dbraw/zinc/10/20/35/326102035.db2.gz NHQRKYLZTBNVRT-NEPJUHHUSA-N 1 3 241.379 1.057 10 0 BDAEHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCCNC1 ZINC000569228116 326396345 /nfs/dbraw/zinc/39/63/45/326396345.db2.gz DOPXBHVXYHATOM-RFQIPJPRSA-N 1 3 240.391 1.515 10 0 BDAEHO C[C@@H]1NCCC[C@]12CCC[N@@H+]2CCCF ZINC000757130803 582504873 /nfs/dbraw/zinc/50/48/73/582504873.db2.gz OCKQSXDDTRLZSL-RYUDHWBXSA-N 1 3 214.328 1.953 10 0 BDAEHO C[C@@H]1NCCC[C@]12CCC[N@H+]2CCCF ZINC000757130803 582504874 /nfs/dbraw/zinc/50/48/74/582504874.db2.gz OCKQSXDDTRLZSL-RYUDHWBXSA-N 1 3 214.328 1.953 10 0 BDAEHO CC[C@@H]1CCC[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000262176360 535821985 /nfs/dbraw/zinc/82/19/85/535821985.db2.gz VZEHTXYUWAAMSS-MROQNXINSA-N 1 3 226.364 1.125 10 0 BDAEHO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)C1 ZINC000262176360 535821986 /nfs/dbraw/zinc/82/19/86/535821986.db2.gz VZEHTXYUWAAMSS-MROQNXINSA-N 1 3 226.364 1.125 10 0 BDAEHO C(C[NH2+][C@@H]1CCCNCC1)C[C@H]1CCOC1 ZINC000401920008 527486080 /nfs/dbraw/zinc/48/60/80/527486080.db2.gz DNYOCMMEHVGCQY-QWHCGFSZSA-N 1 3 226.364 1.535 10 0 BDAEHO CCC[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)OC ZINC000400356858 528155448 /nfs/dbraw/zinc/15/54/48/528155448.db2.gz AUJHEZJGOHKVQF-GRYCIOLGSA-N 1 3 214.353 1.389 10 0 BDAEHO CC(C)C[C@H](CN(C)C)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400353308 528502159 /nfs/dbraw/zinc/50/21/59/528502159.db2.gz LCFDAWWGMOUGBL-HZSPNIEDSA-N 1 3 241.423 1.550 10 0 BDAEHO CCCN(C)[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080513 537904174 /nfs/dbraw/zinc/90/41/74/537904174.db2.gz SGOZIZRFZGRWIC-QWRGUYRKSA-N 1 3 212.337 1.225 10 0 BDAEHO C[C@@H]1CC[C@@]2(CCCN2CCN(C)C)C[NH2+]1 ZINC000757127988 582503194 /nfs/dbraw/zinc/50/31/94/582503194.db2.gz IMWLYRMQYQRHDL-OLZOCXBDSA-N 1 3 225.380 1.155 10 0 BDAEHO FCCC[N@@H+]1CCCC12CCNCC2 ZINC000757132588 582507957 /nfs/dbraw/zinc/50/79/57/582507957.db2.gz RMMAUXSEAGOSNF-UHFFFAOYSA-N 1 3 200.301 1.564 10 0 BDAEHO FCCC[N@H+]1CCCC12CCNCC2 ZINC000757132588 582507958 /nfs/dbraw/zinc/50/79/58/582507958.db2.gz RMMAUXSEAGOSNF-UHFFFAOYSA-N 1 3 200.301 1.564 10 0 BDAEHO [NH3+]C[C@@H]1CCN([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000250827191 635498271 /nfs/dbraw/zinc/49/82/71/635498271.db2.gz YIGJNWGQFWEZSG-YUTCNCBUSA-N 1 3 216.328 1.823 10 0 BDAEHO C[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000253236130 642633216 /nfs/dbraw/zinc/63/32/16/642633216.db2.gz NJTQQHIHIUDOBZ-IJLUTSLNSA-N 1 3 212.337 1.082 10 0 BDAEHO Cc1ccc(N)cc1[C@H]1NCCC[C@H]1C[NH3+] ZINC000757236362 643373814 /nfs/dbraw/zinc/37/38/14/643373814.db2.gz OJKAUUDKDVIIHE-GWCFXTLKSA-N 1 3 219.332 1.577 10 0 BDAEHO [NH3+][C@H](CC(F)F)CN1CCN2CCCC[C@@H]2C1 ZINC000310082249 711708148 /nfs/dbraw/zinc/70/81/48/711708148.db2.gz KIJGZKYHWGIFKV-GHMZBOCLSA-N 1 3 247.333 1.139 10 0 BDAEHO C[C@@H]1CN(C[C@H]2CC(C)(C)OC2(C)C)C[C@@H]1[NH3+] ZINC000709695127 712215954 /nfs/dbraw/zinc/21/59/54/712215954.db2.gz BYHNRJXVVNKKOP-UTUOFQBUSA-N 1 3 240.391 1.859 10 0 BDAEHO COCC1CC([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000713930049 712473573 /nfs/dbraw/zinc/47/35/73/712473573.db2.gz ZDEBDNPSONXBKF-POOIEITISA-N 1 3 226.364 1.519 10 0 BDAEHO C[C@H](NC[C@@H]1CC[C@@H](C2CC2)O1)[C@H]1CC[NH2+]C1 ZINC000722323088 711737029 /nfs/dbraw/zinc/73/70/29/711737029.db2.gz WHCKWZVLGSLQHK-PYJNHQTQSA-N 1 3 238.375 1.532 10 0 BDAEHO Cc1ccccc1OCCN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708841595 712200832 /nfs/dbraw/zinc/20/08/32/712200832.db2.gz UFHSLZLURUIKSD-UONOGXRCSA-N 1 3 248.370 1.900 10 0 BDAEHO COCC1CC([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000714004594 712476861 /nfs/dbraw/zinc/47/68/61/712476861.db2.gz DAQNDAJZPDFTDA-ADPBJBESSA-N 1 3 212.337 1.128 10 0 BDAEHO CCN1CC[C@@H]([NH3+])[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955184 538900591 /nfs/dbraw/zinc/90/05/91/538900591.db2.gz VRJQPRHZDHCKMB-KXNHARMFSA-N 1 3 212.337 1.366 10 0 BDAEHO Cc1cc(C)n(CCN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000386772762 398219706 /nfs/dbraw/zinc/21/97/06/398219706.db2.gz KSQWGZLAIZVLTE-MELADBBJSA-N 1 3 248.374 1.169 10 0 BDAEHO C[C@H]1OCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378756792 346825089 /nfs/dbraw/zinc/82/50/89/346825089.db2.gz YMSOLVLADSQKEY-MROQNXINSA-N 1 3 224.348 1.380 10 0 BDAEHO C[C@H]1OCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378756792 346825094 /nfs/dbraw/zinc/82/50/94/346825094.db2.gz YMSOLVLADSQKEY-MROQNXINSA-N 1 3 224.348 1.380 10 0 BDAEHO CC(F)(F)CCN[C@H]1CCC[NH2+]CC1 ZINC000214740126 342840631 /nfs/dbraw/zinc/84/06/31/342840631.db2.gz DILYTLSVBYLUKO-VIFPVBQESA-N 1 3 206.280 1.763 10 0 BDAEHO CC[C@@H](C[NH2+][C@@H]1CCNC1)CC(F)(F)F ZINC000402698970 529495027 /nfs/dbraw/zinc/49/50/27/529495027.db2.gz RHRPICVSZIGAFQ-RKDXNWHRSA-N 1 3 224.270 1.917 10 0 BDAEHO Nc1cc(N2CCN(C3CCCC3)CC2)cc[nH+]1 ZINC000143131749 343197549 /nfs/dbraw/zinc/19/75/49/343197549.db2.gz UQPRCBNOPCOTSX-UHFFFAOYSA-N 1 3 246.358 1.728 10 0 BDAEHO CO[C@H]1C[C@@H]([NH2+]C2CCNCC2)C12CCC2 ZINC000335617265 136296601 /nfs/dbraw/zinc/29/66/01/136296601.db2.gz YGUIARPTPJWQSN-NEPJUHHUSA-N 1 3 224.348 1.286 10 0 BDAEHO CO[C@H]1C[C@@H](NC2CC[NH2+]CC2)C12CCC2 ZINC000335617265 136296602 /nfs/dbraw/zinc/29/66/02/136296602.db2.gz YGUIARPTPJWQSN-NEPJUHHUSA-N 1 3 224.348 1.286 10 0 BDAEHO COC[C@]12C[N@H+](CCCN)C[C@H]1CCCC2 ZINC000409435567 343834172 /nfs/dbraw/zinc/83/41/72/343834172.db2.gz VLJFTZXUAKUAJC-OLZOCXBDSA-N 1 3 226.364 1.474 10 0 BDAEHO COC[C@]12C[N@@H+](CCCN)C[C@H]1CCCC2 ZINC000409435567 343834173 /nfs/dbraw/zinc/83/41/73/343834173.db2.gz VLJFTZXUAKUAJC-OLZOCXBDSA-N 1 3 226.364 1.474 10 0 BDAEHO [NH3+]CCCN1C[C@H](CO)[C@H](c2ccccc2)C1 ZINC000409435972 343836607 /nfs/dbraw/zinc/83/66/07/343836607.db2.gz XMZWHHLUMFVWQA-KGLIPLIRSA-N 1 3 234.343 1.043 10 0 BDAEHO CCOC[C@H]1C[N@H+](CCCN)CC1(C)C ZINC000409436363 343838720 /nfs/dbraw/zinc/83/87/20/343838720.db2.gz ZNCOCINHBPCPRU-LLVKDONJSA-N 1 3 214.353 1.330 10 0 BDAEHO CCOC[C@H]1C[N@@H+](CCCN)CC1(C)C ZINC000409436363 343838722 /nfs/dbraw/zinc/83/87/22/343838722.db2.gz ZNCOCINHBPCPRU-LLVKDONJSA-N 1 3 214.353 1.330 10 0 BDAEHO CCOC[C@H]1CN(CCC[NH3+])CC1(C)C ZINC000409436363 343838725 /nfs/dbraw/zinc/83/87/25/343838725.db2.gz ZNCOCINHBPCPRU-LLVKDONJSA-N 1 3 214.353 1.330 10 0 BDAEHO CCOCC1(C)CCN(CCC[NH3+])CC1 ZINC000409435888 343840564 /nfs/dbraw/zinc/84/05/64/343840564.db2.gz XCIGOBDBZFIGFK-UHFFFAOYSA-N 1 3 214.353 1.474 10 0 BDAEHO C1=CC[N@H+](CC[C@H]2CSCCN2)CC1 ZINC000166125004 344742560 /nfs/dbraw/zinc/74/25/60/344742560.db2.gz BYGUNHNGBNAJHY-NSHDSACASA-N 1 3 212.362 1.343 10 0 BDAEHO C1=CC[N@@H+](CC[C@H]2CSCCN2)CC1 ZINC000166125004 344742561 /nfs/dbraw/zinc/74/25/61/344742561.db2.gz BYGUNHNGBNAJHY-NSHDSACASA-N 1 3 212.362 1.343 10 0 BDAEHO C[C@H]1CN(C2CCSCC2)C[C@@H]1[NH3+] ZINC000235640454 344961416 /nfs/dbraw/zinc/96/14/16/344961416.db2.gz LQBKOHAIGIWYFC-WPRPVWTQSA-N 1 3 200.351 1.161 10 0 BDAEHO CSCCCC[NH2+][C@@H]1CCCNCC1 ZINC000229211501 345453280 /nfs/dbraw/zinc/45/32/80/345453280.db2.gz ZDENUMHARONSCV-LLVKDONJSA-N 1 3 216.394 1.861 10 0 BDAEHO C[C@H](N[C@H](CO)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400748320 345727323 /nfs/dbraw/zinc/72/73/23/345727323.db2.gz UZFHLXSNXULGDQ-FPMFFAJLSA-N 1 3 240.391 1.515 10 0 BDAEHO [NH3+][C@H]1CC[C@H](NCC(=O)c2ccc[nH]2)CC1 ZINC000257351884 345773823 /nfs/dbraw/zinc/77/38/23/345773823.db2.gz HRKRHXHZODRKNS-MGCOHNPYSA-N 1 3 221.304 1.057 10 0 BDAEHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000563434076 323125353 /nfs/dbraw/zinc/12/53/53/323125353.db2.gz UZNIWKDFHOQWIM-REWJHTLYSA-N 1 3 240.391 1.752 10 0 BDAEHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCCC[C@H]2O)C1 ZINC000563434076 323125354 /nfs/dbraw/zinc/12/53/54/323125354.db2.gz UZNIWKDFHOQWIM-REWJHTLYSA-N 1 3 240.391 1.752 10 0 BDAEHO CCN1CCC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250228492 349168835 /nfs/dbraw/zinc/16/88/35/349168835.db2.gz FTRAGLXJAYIQHV-AGIUHOORSA-N 1 3 225.380 1.330 10 0 BDAEHO CCCN1C(CN)=CC=C(C[NH3+])N1CCC ZINC000222926153 350255935 /nfs/dbraw/zinc/25/59/35/350255935.db2.gz LJGQIYVQHWKICR-UHFFFAOYSA-N 1 3 224.352 1.024 10 0 BDAEHO C(CN1CC[C@@]2(CCOC2)C1)C[NH+]1CCCC1 ZINC000163263970 350513837 /nfs/dbraw/zinc/51/38/37/350513837.db2.gz KHDXVRSNFQJWHY-CQSZACIVSA-N 1 3 238.375 1.585 10 0 BDAEHO NCC[N@@H+]1CCC[C@H](c2ccc(CCO)cc2)C1 ZINC000616620646 350945392 /nfs/dbraw/zinc/94/53/92/350945392.db2.gz JLPGEOCLIZPBEP-HNNXBMFYSA-N 1 3 248.370 1.360 10 0 BDAEHO NCC[N@H+]1CCC[C@H](c2ccc(CCO)cc2)C1 ZINC000616620646 350945394 /nfs/dbraw/zinc/94/53/94/350945394.db2.gz JLPGEOCLIZPBEP-HNNXBMFYSA-N 1 3 248.370 1.360 10 0 BDAEHO NCC[N@@H+]1CCC[C@H](c2ccccc2N)C1 ZINC000616621557 351043966 /nfs/dbraw/zinc/04/39/66/351043966.db2.gz SMHKQIIZWLUGQW-NSHDSACASA-N 1 3 219.332 1.407 10 0 BDAEHO NCC[N@H+]1CCC[C@H](c2ccccc2N)C1 ZINC000616621557 351043970 /nfs/dbraw/zinc/04/39/70/351043970.db2.gz SMHKQIIZWLUGQW-NSHDSACASA-N 1 3 219.332 1.407 10 0 BDAEHO [NH3+]CC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000616651589 351182530 /nfs/dbraw/zinc/18/25/30/351182530.db2.gz CIYOZIKZBUOMOP-CQSZACIVSA-N 1 3 234.343 1.626 10 0 BDAEHO C[NH2+]C[C@@H]1CCN([C@H]2CSC2(C)C)C1 ZINC000307147501 351500660 /nfs/dbraw/zinc/50/06/60/351500660.db2.gz IBIVVSRILBBTMQ-UWVGGRQHSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@@H]1[C@@H](N)CC[N@@H+]1CC1CC(F)(F)C1 ZINC000307254570 351789115 /nfs/dbraw/zinc/78/91/15/351789115.db2.gz XZXDHQDSMGBNAX-APPZFPTMSA-N 1 3 204.264 1.453 10 0 BDAEHO C[C@@H]1[C@@H](N)CC[N@H+]1CC1CC(F)(F)C1 ZINC000307254570 351789116 /nfs/dbraw/zinc/78/91/16/351789116.db2.gz XZXDHQDSMGBNAX-APPZFPTMSA-N 1 3 204.264 1.453 10 0 BDAEHO COC(C)(C)[C@H](C)N1CCC([NH3+])CC1 ZINC000300937864 363169493 /nfs/dbraw/zinc/16/94/93/363169493.db2.gz GCNCHFPLUAJCPV-VIFPVBQESA-N 1 3 200.326 1.223 10 0 BDAEHO CC(C)N1CCN([C@H]2CCCC[NH2+]C2)CC1 ZINC000054135054 188300082 /nfs/dbraw/zinc/30/00/82/188300082.db2.gz VMUIXXRAGFONRZ-ZDUSSCGKSA-N 1 3 225.380 1.155 10 0 BDAEHO [NH3+]Cc1ccccc1CN1CCCOCC1 ZINC000061914885 188302619 /nfs/dbraw/zinc/30/26/19/188302619.db2.gz MHCDSGOQVFFRQG-UHFFFAOYSA-N 1 3 220.316 1.368 10 0 BDAEHO CC(C)N1CCN([C@@H](C[NH3+])CC(C)(C)C)CC1 ZINC000061839805 188302683 /nfs/dbraw/zinc/30/26/83/188302683.db2.gz SJHVRPFEPXGJAL-CYBMUJFWSA-N 1 3 241.423 1.776 10 0 BDAEHO c1ccc2c(c1)CN([C@H]1CCC[NH2+]C1)C=N2 ZINC000095082677 188318681 /nfs/dbraw/zinc/31/86/81/188318681.db2.gz HMIMBFCKNCOGTD-LBPRGKRZSA-N 1 3 215.300 1.914 10 0 BDAEHO CN1CCC[C@@H](CNC2=[NH+]CCCS2)C1 ZINC000044538296 188326378 /nfs/dbraw/zinc/32/63/78/188326378.db2.gz FXPQYMINNYZHQK-JTQLQIEISA-N 1 3 227.377 1.411 10 0 BDAEHO C([NH2+][C@H]1CCCNCC1)[C@H]1CCCSC1 ZINC000336231008 188338139 /nfs/dbraw/zinc/33/81/39/188338139.db2.gz BBTGMBFWNIBQSZ-NEPJUHHUSA-N 1 3 228.405 1.861 10 0 BDAEHO CC(C)(C)[C@H]([NH3+])CCN1CCC(O)CC1 ZINC000054026906 188352393 /nfs/dbraw/zinc/35/23/93/188352393.db2.gz ICQBWUHBTGPFER-LLVKDONJSA-N 1 3 214.353 1.207 10 0 BDAEHO CC[C@H](CCN)[N@@H+]1CCCO[C@H](C)C1 ZINC000061914811 188360202 /nfs/dbraw/zinc/36/02/02/188360202.db2.gz MXOFMHBPQCGZOW-GHMZBOCLSA-N 1 3 200.326 1.225 10 0 BDAEHO CC[C@H](CCN)[N@H+]1CCCO[C@H](C)C1 ZINC000061914811 188360204 /nfs/dbraw/zinc/36/02/04/188360204.db2.gz MXOFMHBPQCGZOW-GHMZBOCLSA-N 1 3 200.326 1.225 10 0 BDAEHO CC[C@H](CC[NH3+])N1CCCO[C@H](C)C1 ZINC000061914811 188360205 /nfs/dbraw/zinc/36/02/05/188360205.db2.gz MXOFMHBPQCGZOW-GHMZBOCLSA-N 1 3 200.326 1.225 10 0 BDAEHO [NH3+][C@@H]1C=C(C[C@H]2CCCC2(F)F)CNC1 ZINC000675078840 538515822 /nfs/dbraw/zinc/51/58/22/538515822.db2.gz URNNAOKQCKSRIQ-NXEZZACHSA-N 1 3 216.275 1.669 10 0 BDAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+]1CCCSCC1 ZINC000685950552 538893990 /nfs/dbraw/zinc/89/39/90/538893990.db2.gz BARYPZGQTZXZRA-GHMZBOCLSA-N 1 3 228.405 1.669 10 0 BDAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+]1CCCSCC1 ZINC000685950552 538893991 /nfs/dbraw/zinc/89/39/91/538893991.db2.gz BARYPZGQTZXZRA-GHMZBOCLSA-N 1 3 228.405 1.669 10 0 BDAEHO C[C@@H]1CCC[N@@H+](C2[C@@H](C)CNC[C@@H]2C)C1 ZINC000685950936 538894677 /nfs/dbraw/zinc/89/46/77/538894677.db2.gz IPOPEUXOCIBEIZ-WOPDTQHZSA-N 1 3 210.365 1.962 10 0 BDAEHO C[C@@H]1CCC[N@H+](C2[C@@H](C)CNC[C@@H]2C)C1 ZINC000685950936 538894678 /nfs/dbraw/zinc/89/46/78/538894678.db2.gz IPOPEUXOCIBEIZ-WOPDTQHZSA-N 1 3 210.365 1.962 10 0 BDAEHO COCCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000584577791 358092617 /nfs/dbraw/zinc/09/26/17/358092617.db2.gz XTMIAVCBEVUSLM-GHMZBOCLSA-N 1 3 200.326 1.001 10 0 BDAEHO COCCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000584577792 358092818 /nfs/dbraw/zinc/09/28/18/358092818.db2.gz XTMIAVCBEVUSLM-MNOVXSKESA-N 1 3 200.326 1.001 10 0 BDAEHO NC1(C[NH3+])CC2(C1)Cc1ccccc1C2 ZINC000038951310 358212928 /nfs/dbraw/zinc/21/29/28/358212928.db2.gz NFZCTKHCIYTYPS-UHFFFAOYSA-N 1 3 202.301 1.222 10 0 BDAEHO C[C@H](NCCOCC(F)F)[C@H]1CCC[NH2+]C1 ZINC000578314079 366497148 /nfs/dbraw/zinc/49/71/48/366497148.db2.gz ZQZFKXHTBIIARD-UWVGGRQHSA-N 1 3 236.306 1.246 10 0 BDAEHO C[C@H]([NH2+]CCOCC(F)F)[C@H]1CCCNC1 ZINC000578314079 366497153 /nfs/dbraw/zinc/49/71/53/366497153.db2.gz ZQZFKXHTBIIARD-UWVGGRQHSA-N 1 3 236.306 1.246 10 0 BDAEHO COC1(C)CC[NH+](CC(C)(C)N)CC1 ZINC000306251924 359465728 /nfs/dbraw/zinc/46/57/28/359465728.db2.gz LUHIELHUZKWVPR-UHFFFAOYSA-N 1 3 200.326 1.225 10 0 BDAEHO CC(C)C[C@@H]([NH3+])CN1CCN2CCCC[C@@H]2C1 ZINC000094440677 360308228 /nfs/dbraw/zinc/30/82/28/360308228.db2.gz NSRZJTPUUCNZHM-ZIAGYGMSSA-N 1 3 239.407 1.530 10 0 BDAEHO CSC1CC[NH+]([C@H]2CCC[C@H]2N)CC1 ZINC000300838963 360532210 /nfs/dbraw/zinc/53/22/10/360532210.db2.gz LUVICCCHZDZAKD-MNOVXSKESA-N 1 3 214.378 1.694 10 0 BDAEHO C[C@H](CCO)CC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000578994703 366689962 /nfs/dbraw/zinc/68/99/62/366689962.db2.gz KOWCNZBUUQQIOQ-RWMBFGLXSA-N 1 3 228.380 1.373 10 0 BDAEHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCCNCC2)C1 ZINC000629555589 361447007 /nfs/dbraw/zinc/44/70/07/361447007.db2.gz YLBCRCOQJDCTCG-UTUOFQBUSA-N 1 3 212.337 1.143 10 0 BDAEHO CO[C@H]1CN(CCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630356696 364077595 /nfs/dbraw/zinc/07/75/95/364077595.db2.gz TVWSCADFCNKHTD-VXGBXAGGSA-N 1 3 214.353 1.471 10 0 BDAEHO CO[C@H]1CN(CC2CC(C)(C)C2)[C@@](C)(C[NH3+])C1 ZINC000630366298 364086216 /nfs/dbraw/zinc/08/62/16/364086216.db2.gz KALHALIMQXGIER-TZMCWYRMSA-N 1 3 240.391 1.861 10 0 BDAEHO [NH3+]CCCNCc1ccc(-n2cccn2)cc1 ZINC000037713834 181383214 /nfs/dbraw/zinc/38/32/14/181383214.db2.gz BWMVNOMFGSJIEZ-UHFFFAOYSA-N 1 3 230.315 1.311 10 0 BDAEHO CO[C@@H]([C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1)C1CC1 ZINC000579822391 367023765 /nfs/dbraw/zinc/02/37/65/367023765.db2.gz GVKHLIROASEFIM-IMIFBBOLSA-N 1 3 240.391 1.778 10 0 BDAEHO CO[C@@H]([C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000579822391 367023768 /nfs/dbraw/zinc/02/37/68/367023768.db2.gz GVKHLIROASEFIM-IMIFBBOLSA-N 1 3 240.391 1.778 10 0 BDAEHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(O)c1 ZINC000383914917 367658923 /nfs/dbraw/zinc/65/89/23/367658923.db2.gz GDUYLLXNSBWQBX-WCQYABFASA-N 1 3 220.316 1.609 10 0 BDAEHO C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H]1CCCNC1 ZINC000581661073 367661743 /nfs/dbraw/zinc/66/17/43/367661743.db2.gz JAWFUAKRVNVRTO-KKOKHZNYSA-N 1 3 228.405 1.716 10 0 BDAEHO CC(C)COCCN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838665 369120119 /nfs/dbraw/zinc/12/01/19/369120119.db2.gz SMWIZYVRIVSOGD-NEPJUHHUSA-N 1 3 214.353 1.186 10 0 BDAEHO CCOCCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000568987925 326384992 /nfs/dbraw/zinc/38/49/92/326384992.db2.gz VMCTVHISNYISMX-QWRGUYRKSA-N 1 3 200.326 1.001 10 0 BDAEHO CCOCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000568987925 326384994 /nfs/dbraw/zinc/38/49/94/326384994.db2.gz VMCTVHISNYISMX-QWRGUYRKSA-N 1 3 200.326 1.001 10 0 BDAEHO C[C@H]1SCCN(CCC(C)(C)[NH3+])[C@@H]1C ZINC000132465873 371830648 /nfs/dbraw/zinc/83/06/48/371830648.db2.gz XPKGBSJKBVHKTI-NXEZZACHSA-N 1 3 216.394 1.940 10 0 BDAEHO C[C@H](CNC1=[NH+][C@H](C)CCS1)N(C)C ZINC000133594611 372080476 /nfs/dbraw/zinc/08/04/76/372080476.db2.gz DTGHJEQRGYPRGI-RKDXNWHRSA-N 1 3 215.366 1.408 10 0 BDAEHO COc1cccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838942 372634595 /nfs/dbraw/zinc/63/45/95/372634595.db2.gz XHXREPUQNAOPIU-AAEUAGOBSA-N 1 3 234.343 1.722 10 0 BDAEHO Cc1ncsc1CCN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840331 372635641 /nfs/dbraw/zinc/63/56/41/372635641.db2.gz RMXGIDPUNDRNSU-KOLCDFICSA-N 1 3 239.388 1.521 10 0 BDAEHO OCC[N@H+](CCCNC1CC1)C1CCCCC1 ZINC000042513796 183065508 /nfs/dbraw/zinc/06/55/08/183065508.db2.gz SRBVBMNHDWXVTJ-UHFFFAOYSA-N 1 3 240.391 1.756 10 0 BDAEHO OCC[N@@H+](CCCNC1CC1)C1CCCCC1 ZINC000042513796 183065509 /nfs/dbraw/zinc/06/55/09/183065509.db2.gz SRBVBMNHDWXVTJ-UHFFFAOYSA-N 1 3 240.391 1.756 10 0 BDAEHO OCCN(CCC[NH2+]C1CC1)C1CCCCC1 ZINC000042513796 183065510 /nfs/dbraw/zinc/06/55/10/183065510.db2.gz SRBVBMNHDWXVTJ-UHFFFAOYSA-N 1 3 240.391 1.756 10 0 BDAEHO CCCN1CCN([C@@H](C[NH3+])CC(C)C)CC1 ZINC000022173174 169203086 /nfs/dbraw/zinc/20/30/86/169203086.db2.gz RJVCCLXFXDMGTP-CYBMUJFWSA-N 1 3 227.396 1.387 10 0 BDAEHO CCC[NH2+]CCNCCN1CCCCCC1 ZINC000049478424 169259696 /nfs/dbraw/zinc/25/96/96/169259696.db2.gz FFVUFBMIFGJADC-UHFFFAOYSA-N 1 3 227.396 1.452 10 0 BDAEHO CCC[NH2+]C[C@@H]1CC[C@H](COCCN(C)C)O1 ZINC000052669849 169262142 /nfs/dbraw/zinc/26/21/42/169262142.db2.gz AJLSMPHHPIPJDX-QWHCGFSZSA-N 1 3 244.379 1.112 10 0 BDAEHO CCC[NH2+]C[C@H](C)N1CCN([C@H](C)CC)CC1 ZINC000055074068 169263087 /nfs/dbraw/zinc/26/30/87/169263087.db2.gz KBLZTBMOBHIGDX-KGLIPLIRSA-N 1 3 241.423 1.791 10 0 BDAEHO c1ccc(C[NH+]2CCC3(CC2)CNCCO3)cc1 ZINC000028521492 183397077 /nfs/dbraw/zinc/39/70/77/183397077.db2.gz JSIZRGCCLBWJOQ-UHFFFAOYSA-N 1 3 246.354 1.641 10 0 BDAEHO CCC[NH2+][C@@H]1CCN([C@@H]2CCCN(C)C2)C1 ZINC000040715858 169283449 /nfs/dbraw/zinc/28/34/49/169283449.db2.gz PSNFSOTYRUOTQR-CHWSQXEVSA-N 1 3 225.380 1.155 10 0 BDAEHO CCC[C@@H](CN)[N@H+](C)C1CCN(C)CC1 ZINC000022162791 169384063 /nfs/dbraw/zinc/38/40/63/169384063.db2.gz NPBFPPNOIUOKLU-LBPRGKRZSA-N 1 3 213.369 1.140 10 0 BDAEHO CCC[C@@H](CN)[N@@H+](C)C1CCN(C)CC1 ZINC000022162791 169384064 /nfs/dbraw/zinc/38/40/64/169384064.db2.gz NPBFPPNOIUOKLU-LBPRGKRZSA-N 1 3 213.369 1.140 10 0 BDAEHO C[C@@H]1CC[N@H+](CCCN2CCCC2)C[C@@H]1O ZINC000221432247 134324121 /nfs/dbraw/zinc/32/41/21/134324121.db2.gz WHTVQZKFMLVFOV-OLZOCXBDSA-N 1 3 226.364 1.175 10 0 BDAEHO C[C@@H]1CC[N@@H+](CCCN2CCCC2)C[C@@H]1O ZINC000221432247 134324122 /nfs/dbraw/zinc/32/41/22/134324122.db2.gz WHTVQZKFMLVFOV-OLZOCXBDSA-N 1 3 226.364 1.175 10 0 BDAEHO CC[NH+](CC)CCNc1cc(N)nc(C)n1 ZINC000087807641 383866713 /nfs/dbraw/zinc/86/67/13/383866713.db2.gz QUVNSPOUVNNGAA-UHFFFAOYSA-N 1 3 223.324 1.121 10 0 BDAEHO [NH3+][C@H](CCO)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000095077234 384352856 /nfs/dbraw/zinc/35/28/56/384352856.db2.gz PYWOWVDBIHYQJK-HUUCEWRRSA-N 1 3 248.370 1.608 10 0 BDAEHO CN(C)CCOc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044745019 384353750 /nfs/dbraw/zinc/35/37/50/384353750.db2.gz FUSVWMCWZZVJML-AWEZNQCLSA-N 1 3 234.343 1.963 10 0 BDAEHO c1ccc2c(c1)CN(C[C@@H]1CCC[NH2+]1)C=N2 ZINC000095080707 384359031 /nfs/dbraw/zinc/35/90/31/384359031.db2.gz LICHQFNMUOYTPQ-LBPRGKRZSA-N 1 3 215.300 1.914 10 0 BDAEHO FC1(F)CCC[C@@H]1C[NH2+]C1CCNCC1 ZINC000335659921 384462403 /nfs/dbraw/zinc/46/24/03/384462403.db2.gz AMCQFBGLYBUWBG-SECBINFHSA-N 1 3 218.291 1.763 10 0 BDAEHO FC1(F)CCC[C@@H]1CNC1CC[NH2+]CC1 ZINC000335659921 384462409 /nfs/dbraw/zinc/46/24/09/384462409.db2.gz AMCQFBGLYBUWBG-SECBINFHSA-N 1 3 218.291 1.763 10 0 BDAEHO NC[C@@H]1CC[N@@H+](C2CCSCC2)C1 ZINC000050245539 384608957 /nfs/dbraw/zinc/60/89/57/384608957.db2.gz QAFCTUSMHXOKLU-VIFPVBQESA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@@H]1CC[N@H+](C2CCSCC2)C1 ZINC000050245539 384608963 /nfs/dbraw/zinc/60/89/63/384608963.db2.gz QAFCTUSMHXOKLU-VIFPVBQESA-N 1 3 200.351 1.163 10 0 BDAEHO CO[C@H]1CCC[N@H+](C[C@H]2CCCNC2)CC1 ZINC000647538427 384666362 /nfs/dbraw/zinc/66/63/62/384666362.db2.gz RCPNLTSOEXQKGK-STQMWFEESA-N 1 3 226.364 1.487 10 0 BDAEHO CO[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)CC1 ZINC000647538427 384666370 /nfs/dbraw/zinc/66/63/70/384666370.db2.gz RCPNLTSOEXQKGK-STQMWFEESA-N 1 3 226.364 1.487 10 0 BDAEHO CO[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)CC1 ZINC000647538424 384667762 /nfs/dbraw/zinc/66/77/62/384667762.db2.gz RCPNLTSOEXQKGK-CHWSQXEVSA-N 1 3 226.364 1.487 10 0 BDAEHO CO[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)CC1 ZINC000647538424 384667767 /nfs/dbraw/zinc/66/77/67/384667767.db2.gz RCPNLTSOEXQKGK-CHWSQXEVSA-N 1 3 226.364 1.487 10 0 BDAEHO CO[C@H](C)CC[NH2+][C@@H]1CCCNCC1 ZINC000308549429 384797688 /nfs/dbraw/zinc/79/76/88/384797688.db2.gz SUHWQGLQQVLQLQ-GHMZBOCLSA-N 1 3 200.326 1.143 10 0 BDAEHO COc1ccc(CNCC[C@@H](C)[NH3+])cc1 ZINC000258690149 384930986 /nfs/dbraw/zinc/93/09/86/384930986.db2.gz FTXIINHAZXGGBD-SNVBAGLBSA-N 1 3 208.305 1.522 10 0 BDAEHO FC1(F)CC(C[NH2+][C@H]2CCCNCC2)C1 ZINC000336232823 385056855 /nfs/dbraw/zinc/05/68/55/385056855.db2.gz ZPROITKAIHTXMM-JTQLQIEISA-N 1 3 218.291 1.763 10 0 BDAEHO CCOC[C@@H]1CCC[N@@H+]1C1CCNCC1 ZINC000409428967 385328580 /nfs/dbraw/zinc/32/85/80/385328580.db2.gz NKLIPFPYZMEGRL-LBPRGKRZSA-N 1 3 212.337 1.239 10 0 BDAEHO CCOC[C@@H]1CCC[N@H+]1C1CCNCC1 ZINC000409428967 385328583 /nfs/dbraw/zinc/32/85/83/385328583.db2.gz NKLIPFPYZMEGRL-LBPRGKRZSA-N 1 3 212.337 1.239 10 0 BDAEHO CCOC[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000409428967 385328587 /nfs/dbraw/zinc/32/85/87/385328587.db2.gz NKLIPFPYZMEGRL-LBPRGKRZSA-N 1 3 212.337 1.239 10 0 BDAEHO c1cnc(N2CC[NH2+]CC2)c(CN2CCCC2)c1 ZINC000253567003 385683414 /nfs/dbraw/zinc/68/34/14/385683414.db2.gz JPXQGEHFESMDPL-UHFFFAOYSA-N 1 3 246.358 1.087 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)[C@@H]1CCCNC1 ZINC000647803749 385839362 /nfs/dbraw/zinc/83/93/62/385839362.db2.gz AMHLRWRHEPPBDX-NNYUYHANSA-N 1 3 228.405 1.858 10 0 BDAEHO [NH3+][C@@H]1CC[C@@H]2CN(C[C@@H]3CCCCO3)C[C@H]12 ZINC000309405458 386007815 /nfs/dbraw/zinc/00/78/15/386007815.db2.gz VWBOUHQPOBLXMQ-MROQNXINSA-N 1 3 224.348 1.225 10 0 BDAEHO CC1(C)SC[C@H]1[NH2+]C1CCNCC1 ZINC000307165979 386010294 /nfs/dbraw/zinc/01/02/94/386010294.db2.gz NTXMRULNTZMFBG-SECBINFHSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@H](NC[C@@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000519693488 386529003 /nfs/dbraw/zinc/52/90/03/386529003.db2.gz QUFFYZURDRWWOJ-AVGNSLFASA-N 1 3 226.364 1.533 10 0 BDAEHO COc1cccc(F)c1[C@H](N)CCC[NH3+] ZINC000575438628 387131063 /nfs/dbraw/zinc/13/10/63/387131063.db2.gz MJVCQNHLDGNLNJ-SECBINFHSA-N 1 3 212.268 1.573 10 0 BDAEHO C[C@@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000400578352 387136788 /nfs/dbraw/zinc/13/67/88/387136788.db2.gz PRVYCXAZVJTPIO-SRVKXCTJSA-N 1 3 225.380 1.057 10 0 BDAEHO CCN1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2N)C1 ZINC000575601545 387360101 /nfs/dbraw/zinc/36/01/01/387360101.db2.gz HKRGHGVKRMLJMQ-XQQFMLRXSA-N 1 3 225.380 1.330 10 0 BDAEHO CCN1CCC[C@H](N[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000575601545 387360103 /nfs/dbraw/zinc/36/01/03/387360103.db2.gz HKRGHGVKRMLJMQ-XQQFMLRXSA-N 1 3 225.380 1.330 10 0 BDAEHO CN(CCC[NH+]1CCCC1)[C@@H]1CCC[C@@H]1O ZINC000352668003 387430531 /nfs/dbraw/zinc/43/05/31/387430531.db2.gz OVTQRPRNFKMBHH-OLZOCXBDSA-N 1 3 226.364 1.318 10 0 BDAEHO CN(CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[C@@H]1O ZINC000352669587 387432246 /nfs/dbraw/zinc/43/22/46/387432246.db2.gz BBJDJFMQACOZJA-RDBSUJKOSA-N 1 3 240.391 1.706 10 0 BDAEHO CN(CC[C@H]1CCCC[N@H+]1C)[C@H]1CCC[C@@H]1O ZINC000352669587 387432251 /nfs/dbraw/zinc/43/22/51/387432251.db2.gz BBJDJFMQACOZJA-RDBSUJKOSA-N 1 3 240.391 1.706 10 0 BDAEHO CO[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)C12CCC2 ZINC000423171303 387957285 /nfs/dbraw/zinc/95/72/85/387957285.db2.gz OBAQOIRKXZPSQC-FRRDWIJNSA-N 1 3 238.375 1.676 10 0 BDAEHO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCNCC2)C12CCC2 ZINC000423171303 387957289 /nfs/dbraw/zinc/95/72/89/387957289.db2.gz OBAQOIRKXZPSQC-FRRDWIJNSA-N 1 3 238.375 1.676 10 0 BDAEHO C[C@@H](NCCc1ccccc1F)[C@@H]1CC[NH2+]C1 ZINC000400535250 388012082 /nfs/dbraw/zinc/01/20/82/388012082.db2.gz SYAAGUOTFTUITH-DGCLKSJQSA-N 1 3 236.334 1.956 10 0 BDAEHO C1C[C@@H]([NH2+][C@H]2CCCSCC2)CN1 ZINC000575518827 388356501 /nfs/dbraw/zinc/35/65/01/388356501.db2.gz VZDMCGLUXFCMFT-VHSXEESVSA-N 1 3 200.351 1.224 10 0 BDAEHO C[C@H](N[C@H]1CCCSC1)[C@H]1CC[NH2+]C1 ZINC000307227388 388422394 /nfs/dbraw/zinc/42/23/94/388422394.db2.gz DLKPQKAYOJNJCX-DCAQKATOSA-N 1 3 214.378 1.470 10 0 BDAEHO CC(C)(C)C[C@@H](CO)[NH2+]C1CCNCC1 ZINC000393470617 388431509 /nfs/dbraw/zinc/43/15/09/388431509.db2.gz NALDWVJDQWWHRN-NSHDSACASA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)(C)C[C@@H](CO)NC1CC[NH2+]CC1 ZINC000393470617 388431511 /nfs/dbraw/zinc/43/15/11/388431511.db2.gz NALDWVJDQWWHRN-NSHDSACASA-N 1 3 214.353 1.125 10 0 BDAEHO C[C@H]([NH2+]C[C@H]1CCCS1)[C@H]1CCCNC1 ZINC000573234934 388435316 /nfs/dbraw/zinc/43/53/16/388435316.db2.gz WWVJRWSUGYAQFC-SDDRHHMPSA-N 1 3 228.405 1.860 10 0 BDAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NCC2=CCCOC2)C1 ZINC000127854744 388733260 /nfs/dbraw/zinc/73/32/60/388733260.db2.gz YSTANZRNDZXVRM-OCCSQVGLSA-N 1 3 238.375 1.651 10 0 BDAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NCC2=CCCOC2)C1 ZINC000127854744 388733263 /nfs/dbraw/zinc/73/32/63/388733263.db2.gz YSTANZRNDZXVRM-OCCSQVGLSA-N 1 3 238.375 1.651 10 0 BDAEHO CCN(CC)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566089602 388986482 /nfs/dbraw/zinc/98/64/82/388986482.db2.gz VOOCMBUFWYKNQI-CHWSQXEVSA-N 1 3 227.396 1.306 10 0 BDAEHO C[C@@H](NCCOc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400736780 533401843 /nfs/dbraw/zinc/40/18/43/533401843.db2.gz KCQIJEWOSPBMOP-CHWSQXEVSA-N 1 3 234.343 1.653 10 0 BDAEHO CCCCN1CCN(c2cc[nH+]cc2N)CC1 ZINC000035368374 132338092 /nfs/dbraw/zinc/33/80/92/132338092.db2.gz YUAACURWNXLASX-UHFFFAOYSA-N 1 3 234.347 1.586 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CC[C@@H](N(C)C)C1)[C@@H]1CCOC1 ZINC000222739163 134333895 /nfs/dbraw/zinc/33/38/95/134333895.db2.gz KATGBLLHJQNQQZ-UMSGYPCISA-N 1 3 226.364 1.484 10 0 BDAEHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000261582401 135223050 /nfs/dbraw/zinc/22/30/50/135223050.db2.gz RDQUMQPTINBFQJ-HLTSFMKQSA-N 1 3 248.330 1.243 10 0 BDAEHO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000231294118 135590629 /nfs/dbraw/zinc/59/06/29/135590629.db2.gz ZRXLDCMZQYVEOU-XQQFMLRXSA-N 1 3 226.364 1.269 10 0 BDAEHO C[C@H]1C[C@H]([NH3+])CN1[C@H]1CCS[C@H]1C ZINC000575592407 397990867 /nfs/dbraw/zinc/99/08/67/397990867.db2.gz RLPISWKGEPOMSZ-XKNYDFJKSA-N 1 3 200.351 1.302 10 0 BDAEHO C[C@@H]([NH3+])CC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000040809206 410893097 /nfs/dbraw/zinc/89/30/97/410893097.db2.gz WAYNNTYYIRGAJX-DGCLKSJQSA-N 1 3 249.358 1.143 10 0 BDAEHO CC(C)NC[C@@H](O)C[NH+]1CCCCCC1 ZINC000001847089 167110970 /nfs/dbraw/zinc/11/09/70/167110970.db2.gz FWNWRFZEXUTZTD-GFCCVEGCSA-N 1 3 214.353 1.221 10 0 BDAEHO CC(C)[C@@H](CN(C)C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000054243589 167395851 /nfs/dbraw/zinc/39/58/51/167395851.db2.gz JEECUTQFMMOFFM-ZIAGYGMSSA-N 1 3 241.423 1.504 10 0 BDAEHO C[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000656782769 411360526 /nfs/dbraw/zinc/36/05/26/411360526.db2.gz JPNAMBMQTFXTGT-AGIUHOORSA-N 1 3 233.359 1.773 10 0 BDAEHO CCC(C)(C)[NH2+]C[C@@H](C)N1CCCN(C)CC1 ZINC000053487759 168298673 /nfs/dbraw/zinc/29/86/73/168298673.db2.gz GWDMLNQJMKYABX-CYBMUJFWSA-N 1 3 241.423 1.791 10 0 BDAEHO C[C@H](N[C@@H]1CCS[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000307274834 411469664 /nfs/dbraw/zinc/46/96/64/411469664.db2.gz OVFNDRAZWCQRKY-UKKRHICBSA-N 1 3 214.378 1.468 10 0 BDAEHO CC[NH2+]CC1(CN2CC[C@@H](C)C2)CCOCC1 ZINC000052182182 170110220 /nfs/dbraw/zinc/11/02/20/170110220.db2.gz DZOFWJNSHFLJRV-CYBMUJFWSA-N 1 3 240.391 1.735 10 0 BDAEHO CCNCC1(C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC000052182182 170110222 /nfs/dbraw/zinc/11/02/22/170110222.db2.gz DZOFWJNSHFLJRV-CYBMUJFWSA-N 1 3 240.391 1.735 10 0 BDAEHO CCNCC1(C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC000052182182 170110224 /nfs/dbraw/zinc/11/02/24/170110224.db2.gz DZOFWJNSHFLJRV-CYBMUJFWSA-N 1 3 240.391 1.735 10 0 BDAEHO CC[NH2+][C@@H]1CCC[C@H]1CN1CCCC[C@@H]1CO ZINC000053877173 170151714 /nfs/dbraw/zinc/15/17/14/170151714.db2.gz GZJUWNKFJJDCKU-BFHYXJOUSA-N 1 3 240.391 1.611 10 0 BDAEHO CCOC1CC[NH+]([C@@H]2CCC[C@@H]2N)CC1 ZINC000040689308 170332818 /nfs/dbraw/zinc/33/28/18/170332818.db2.gz VHXCRSYSYGZXKK-NWDGAFQWSA-N 1 3 212.337 1.367 10 0 BDAEHO CCOCCN(CC)C(CC)(CC)C[NH3+] ZINC000050092467 170395188 /nfs/dbraw/zinc/39/51/88/170395188.db2.gz CITUUNFQFZUYNR-UHFFFAOYSA-N 1 3 216.369 1.862 10 0 BDAEHO CC[C@@H]1C[N@@H+](C2CCN(C)CC2)[C@H](CC)CN1 ZINC000083367469 171075977 /nfs/dbraw/zinc/07/59/77/171075977.db2.gz LZRUMWRVKOKQJJ-CHWSQXEVSA-N 1 3 239.407 1.543 10 0 BDAEHO CC[C@@H]1C[N@H+](C2CCN(C)CC2)[C@H](CC)CN1 ZINC000083367469 171075978 /nfs/dbraw/zinc/07/59/78/171075978.db2.gz LZRUMWRVKOKQJJ-CHWSQXEVSA-N 1 3 239.407 1.543 10 0 BDAEHO CC[C@@]1(C[NH2+]CC[C@@H]2CCCO2)CCCNC1 ZINC000062862894 171210992 /nfs/dbraw/zinc/21/09/92/171210992.db2.gz ZMWWEUIPXGMLMS-UONOGXRCSA-N 1 3 240.391 1.925 10 0 BDAEHO CC[C@H](C)C[N@@H+]1CCC[C@H](CNCCOC)C1 ZINC000053658793 171281083 /nfs/dbraw/zinc/28/10/83/171281083.db2.gz XSPILYUAKKEUHF-UONOGXRCSA-N 1 3 242.407 1.981 10 0 BDAEHO CC[C@H](C)C[N@H+]1CCC[C@H](CNCCOC)C1 ZINC000053658793 171281085 /nfs/dbraw/zinc/28/10/85/171281085.db2.gz XSPILYUAKKEUHF-UONOGXRCSA-N 1 3 242.407 1.981 10 0 BDAEHO CC[C@H](C)[NH2+]C[C@@H](C)N1CCN(CC)[C@H](C)C1 ZINC000104136221 171341305 /nfs/dbraw/zinc/34/13/05/171341305.db2.gz GUHZONHIUUYLHR-BFHYXJOUSA-N 1 3 241.423 1.789 10 0 BDAEHO C[C@@H](NCCC(C)(C)F)[C@@H]1CC[NH2+]C1 ZINC000665261642 412203358 /nfs/dbraw/zinc/20/33/58/412203358.db2.gz IQLJVCJRLGYJAF-NXEZZACHSA-N 1 3 202.317 1.712 10 0 BDAEHO C[C@]1(C[NH2+]C2CCNCC2)CC1(F)F ZINC000665264598 412208025 /nfs/dbraw/zinc/20/80/25/412208025.db2.gz DHAKBXBUORVYEC-SECBINFHSA-N 1 3 204.264 1.373 10 0 BDAEHO C[C@]1(CNC2CC[NH2+]CC2)CC1(F)F ZINC000665264598 412208029 /nfs/dbraw/zinc/20/80/29/412208029.db2.gz DHAKBXBUORVYEC-SECBINFHSA-N 1 3 204.264 1.373 10 0 BDAEHO CO[C@H](CN[C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000665276160 412219961 /nfs/dbraw/zinc/21/99/61/412219961.db2.gz ZKMWSFYBJDILEC-UONOGXRCSA-N 1 3 240.391 1.923 10 0 BDAEHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H](CCO)C1 ZINC000336697134 173029467 /nfs/dbraw/zinc/02/94/67/173029467.db2.gz HVXSSAVIFAXPEG-CHWSQXEVSA-N 1 3 226.364 1.175 10 0 BDAEHO C[N@H+]1CCC[C@@H]1CCN1CC[C@H](CCO)C1 ZINC000336697134 173029468 /nfs/dbraw/zinc/02/94/68/173029468.db2.gz HVXSSAVIFAXPEG-CHWSQXEVSA-N 1 3 226.364 1.175 10 0 BDAEHO CN(C)c1ccncc1NC[C@H]1CCC[N@H+](C)C1 ZINC000054240946 173041185 /nfs/dbraw/zinc/04/11/85/173041185.db2.gz RCSZHTLNPOFPTQ-GFCCVEGCSA-N 1 3 248.374 1.901 10 0 BDAEHO CN(C)c1ccncc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000054240946 173041186 /nfs/dbraw/zinc/04/11/86/173041186.db2.gz RCSZHTLNPOFPTQ-GFCCVEGCSA-N 1 3 248.374 1.901 10 0 BDAEHO CN1CCC[C@H]([N@H+](C)C2(CN)CCCC2)C1 ZINC000053206365 173043814 /nfs/dbraw/zinc/04/38/14/173043814.db2.gz QPTRDPKPSPBRLL-LBPRGKRZSA-N 1 3 225.380 1.284 10 0 BDAEHO CN1CCC[C@H]([N@@H+](C)C2(CN)CCCC2)C1 ZINC000053206365 173043815 /nfs/dbraw/zinc/04/38/15/173043815.db2.gz QPTRDPKPSPBRLL-LBPRGKRZSA-N 1 3 225.380 1.284 10 0 BDAEHO CN1CCC[C@H](Nc2cc(N)cc[nH+]2)C1 ZINC000043569041 173046575 /nfs/dbraw/zinc/04/65/75/173046575.db2.gz KQRBLWCIABTRDB-JTQLQIEISA-N 1 3 206.293 1.170 10 0 BDAEHO CN1CCN(C[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000053861669 173085613 /nfs/dbraw/zinc/08/56/13/173085613.db2.gz ULIGJCBISDVBBF-QWHCGFSZSA-N 1 3 225.380 1.141 10 0 BDAEHO CN1CC[C@@H](C[NH2+]C[C@@H]2CCCCN2C)C1 ZINC000054242803 173114662 /nfs/dbraw/zinc/11/46/62/173114662.db2.gz ZFRNHSWXLFXSFQ-STQMWFEESA-N 1 3 225.380 1.012 10 0 BDAEHO CN1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000037484657 173117525 /nfs/dbraw/zinc/11/75/25/173117525.db2.gz XMHYPQQLDKYWSH-JTQLQIEISA-N 1 3 210.346 1.789 10 0 BDAEHO CN1CC[C@@H]([NH2+]CC[C@@H]2CCCCN2C)C1 ZINC000052205875 173123050 /nfs/dbraw/zinc/12/30/50/173123050.db2.gz GBUSRENRHXZMSQ-OLZOCXBDSA-N 1 3 225.380 1.155 10 0 BDAEHO Cn1ccnc1CNCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000051923942 173206956 /nfs/dbraw/zinc/20/69/56/173206956.db2.gz PYELOVUXXWOBEB-YHWZYXNKSA-N 1 3 248.374 1.383 10 0 BDAEHO Cn1ccnc1CNCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000051923942 173206960 /nfs/dbraw/zinc/20/69/60/173206960.db2.gz PYELOVUXXWOBEB-YHWZYXNKSA-N 1 3 248.374 1.383 10 0 BDAEHO CNCC1(C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC000052182205 173337330 /nfs/dbraw/zinc/33/73/30/173337330.db2.gz FVUWHMIHOPMHJL-GFCCVEGCSA-N 1 3 226.364 1.344 10 0 BDAEHO CNCC1(C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC000052182205 173337332 /nfs/dbraw/zinc/33/73/32/173337332.db2.gz FVUWHMIHOPMHJL-GFCCVEGCSA-N 1 3 226.364 1.344 10 0 BDAEHO C[NH2+]CC1(CN2CC[C@@H](C)C2)CCOCC1 ZINC000052182205 173337333 /nfs/dbraw/zinc/33/73/33/173337333.db2.gz FVUWHMIHOPMHJL-GFCCVEGCSA-N 1 3 226.364 1.344 10 0 BDAEHO CNCC1(C[N@@H+]2CCC[C@@H]2C)CCOCC1 ZINC000052180464 173337510 /nfs/dbraw/zinc/33/75/10/173337510.db2.gz XCCBMCOCWKGERK-LBPRGKRZSA-N 1 3 226.364 1.487 10 0 BDAEHO CNCC1(C[N@H+]2CCC[C@@H]2C)CCOCC1 ZINC000052180464 173337511 /nfs/dbraw/zinc/33/75/11/173337511.db2.gz XCCBMCOCWKGERK-LBPRGKRZSA-N 1 3 226.364 1.487 10 0 BDAEHO C[NH2+]CC1(CN2CCC[C@@H]2C)CCOCC1 ZINC000052180464 173337512 /nfs/dbraw/zinc/33/75/12/173337512.db2.gz XCCBMCOCWKGERK-LBPRGKRZSA-N 1 3 226.364 1.487 10 0 BDAEHO C[NH2+]CCCC(=O)Nc1ccccc1CN(C)C ZINC000037610790 173345257 /nfs/dbraw/zinc/34/52/57/173345257.db2.gz WONOBQURUJYKOQ-UHFFFAOYSA-N 1 3 249.358 1.686 10 0 BDAEHO C[NH2+]C[C@@]1(CN2CCC(C)CC2)CCOC1 ZINC000051207914 173373007 /nfs/dbraw/zinc/37/30/07/173373007.db2.gz VEGLXKQUDZPAQR-CYBMUJFWSA-N 1 3 226.364 1.344 10 0 BDAEHO CNC[C@@]1(C[NH+]2CCC(C)CC2)CCOC1 ZINC000051207914 173373009 /nfs/dbraw/zinc/37/30/09/173373009.db2.gz VEGLXKQUDZPAQR-CYBMUJFWSA-N 1 3 226.364 1.344 10 0 BDAEHO CNC[C@@]1(C[N@H+](C)C2CCCCC2)CCOC1 ZINC000051213210 173373246 /nfs/dbraw/zinc/37/32/46/173373246.db2.gz UNUSWYBGSQDWEW-CQSZACIVSA-N 1 3 240.391 1.877 10 0 BDAEHO CNC[C@@]1(C[N@@H+](C)C2CCCCC2)CCOC1 ZINC000051213210 173373247 /nfs/dbraw/zinc/37/32/47/173373247.db2.gz UNUSWYBGSQDWEW-CQSZACIVSA-N 1 3 240.391 1.877 10 0 BDAEHO C[NH2+]C[C@@]1(CN(C)C2CCCCC2)CCOC1 ZINC000051213210 173373248 /nfs/dbraw/zinc/37/32/48/173373248.db2.gz UNUSWYBGSQDWEW-CQSZACIVSA-N 1 3 240.391 1.877 10 0 BDAEHO C[NH2+]Cc1ccoc1CN(C)[C@H]1CCSC1 ZINC000052453157 173391680 /nfs/dbraw/zinc/39/16/80/173391680.db2.gz XKNXONNCCXQLDF-NSHDSACASA-N 1 3 240.372 1.936 10 0 BDAEHO C[NH2+]Cc1coc(CN2CCCSCC2)c1 ZINC000052371104 173393484 /nfs/dbraw/zinc/39/34/84/173393484.db2.gz VCQUISSPJSZJNR-UHFFFAOYSA-N 1 3 240.372 1.938 10 0 BDAEHO COCCC[N@H+]1CCCN[C@H](C)CC1 ZINC000049665795 174229145 /nfs/dbraw/zinc/22/91/45/174229145.db2.gz IFFBBJFVFTZXDA-LLVKDONJSA-N 1 3 200.326 1.097 10 0 BDAEHO COCCCN1CCC[NH2+][C@H](C)CC1 ZINC000049665795 174229139 /nfs/dbraw/zinc/22/91/39/174229139.db2.gz IFFBBJFVFTZXDA-LLVKDONJSA-N 1 3 200.326 1.097 10 0 BDAEHO COCCC[N@@H+]1CCCN[C@H](C)CC1 ZINC000049665795 174229142 /nfs/dbraw/zinc/22/91/42/174229142.db2.gz IFFBBJFVFTZXDA-LLVKDONJSA-N 1 3 200.326 1.097 10 0 BDAEHO COCCN(Cc1ccccc1C[NH3+])C1CC1 ZINC000042517589 174300022 /nfs/dbraw/zinc/30/00/22/174300022.db2.gz XGMSEYQNJDABEK-UHFFFAOYSA-N 1 3 234.343 1.756 10 0 BDAEHO COc1ccc(CN(C)C)cc1C[C@@H](C)[NH3+] ZINC000044462990 175094641 /nfs/dbraw/zinc/09/46/41/175094641.db2.gz NEZRDFZJIWGYJB-SNVBAGLBSA-N 1 3 222.332 1.647 10 0 BDAEHO COc1ccccc1C[C@@](C)(C[NH3+])CN(C)C ZINC000011800566 175332581 /nfs/dbraw/zinc/33/25/81/175332581.db2.gz IPPBWMPGJQMKHK-AWEZNQCLSA-N 1 3 236.359 1.764 10 0 BDAEHO COc1ccccc1C[C@@](C)(CN)C[NH+](C)C ZINC000011800566 175332583 /nfs/dbraw/zinc/33/25/83/175332583.db2.gz IPPBWMPGJQMKHK-AWEZNQCLSA-N 1 3 236.359 1.764 10 0 BDAEHO COc1ccccc1C[C@](C)(C[NH3+])CN(C)C ZINC000011800568 175333624 /nfs/dbraw/zinc/33/36/24/175333624.db2.gz IPPBWMPGJQMKHK-CQSZACIVSA-N 1 3 236.359 1.764 10 0 BDAEHO COc1ccccc1C[C@](C)(CN)C[NH+](C)C ZINC000011800568 175333625 /nfs/dbraw/zinc/33/36/25/175333625.db2.gz IPPBWMPGJQMKHK-CQSZACIVSA-N 1 3 236.359 1.764 10 0 BDAEHO C[C@@H]1CCN([C@]2(C[NH3+])CCSC2)C1 ZINC000040717266 176180673 /nfs/dbraw/zinc/18/06/73/176180673.db2.gz QDWJCWZVZIOOBA-ZJUUUORDSA-N 1 3 200.351 1.163 10 0 BDAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1CC1CCOCC1 ZINC000052173160 177200506 /nfs/dbraw/zinc/20/05/06/177200506.db2.gz FOCBECLADCKFDF-WCQYABFASA-N 1 3 226.364 1.472 10 0 BDAEHO C[C@H]1CC[C@H](CN)C[N@H+]1CC1CCOCC1 ZINC000052173160 177200507 /nfs/dbraw/zinc/20/05/07/177200507.db2.gz FOCBECLADCKFDF-WCQYABFASA-N 1 3 226.364 1.472 10 0 BDAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1CCCn1ccnc1 ZINC000042427520 177201392 /nfs/dbraw/zinc/20/13/92/177201392.db2.gz NSKIDNQVPWKJAO-QWHCGFSZSA-N 1 3 236.363 1.332 10 0 BDAEHO C[C@H]1CC[C@H](CN)C[N@H+]1CCCn1ccnc1 ZINC000042427520 177201394 /nfs/dbraw/zinc/20/13/94/177201394.db2.gz NSKIDNQVPWKJAO-QWHCGFSZSA-N 1 3 236.363 1.332 10 0 BDAEHO C[C@H]1CC[C@H](C[NH3+])CN1CCCn1ccnc1 ZINC000042427520 177201396 /nfs/dbraw/zinc/20/13/96/177201396.db2.gz NSKIDNQVPWKJAO-QWHCGFSZSA-N 1 3 236.363 1.332 10 0 BDAEHO C[C@H]1C[NH2+]CCCN(C[C@@H]2CCCO2)C1 ZINC000049662871 177281319 /nfs/dbraw/zinc/28/13/19/177281319.db2.gz BGRDTBHFVXRNGV-RYUDHWBXSA-N 1 3 212.337 1.097 10 0 BDAEHO C[C@H]1C[NH2+]C[C@@H]1CN1CCN(C(C)(C)C)CC1 ZINC000104214926 177285666 /nfs/dbraw/zinc/28/56/66/177285666.db2.gz SNMGLSODZBPWBL-QWHCGFSZSA-N 1 3 239.407 1.258 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@H](C)CN(CCc2cccnc2)C1 ZINC000049666870 177285756 /nfs/dbraw/zinc/28/57/56/177285756.db2.gz FQRSGEUEXURTQU-OKILXGFUSA-N 1 3 247.386 1.802 10 0 BDAEHO C[C@H]1COCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000051919008 177292281 /nfs/dbraw/zinc/29/22/81/177292281.db2.gz DGLNBRMGYRDOSQ-RYUDHWBXSA-N 1 3 212.337 1.097 10 0 BDAEHO C[C@@H](NCC(C)(C)C(C)(C)O)[C@H]1CC[NH2+]C1 ZINC000400393496 226342753 /nfs/dbraw/zinc/34/27/53/226342753.db2.gz JLGMDVFPDYOFMB-MNOVXSKESA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@H](NC[C@@H](O)CC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400560230 226346214 /nfs/dbraw/zinc/34/62/14/226346214.db2.gz HOZHGRVIBKGHKH-TUAOUCFPSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@@H]([NH3+])CNc1ccnc2ccccc21 ZINC000082575423 487677480 /nfs/dbraw/zinc/67/74/80/487677480.db2.gz LUFJFBWSYDVVGH-SECBINFHSA-N 1 3 201.273 1.994 10 0 BDAEHO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@H]1CCCNC1 ZINC000667007661 487927927 /nfs/dbraw/zinc/92/79/27/487927927.db2.gz NCXAGDQSOMNRDF-SDDRHHMPSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@H](NC[C@@H](O)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000667007661 487927933 /nfs/dbraw/zinc/92/79/33/487927933.db2.gz NCXAGDQSOMNRDF-SDDRHHMPSA-N 1 3 228.380 1.371 10 0 BDAEHO CC(C)[N@H+]1C[C@H](NCC2=CCCOC2)[C@@H](C)C1 ZINC000127854989 323005814 /nfs/dbraw/zinc/00/58/14/323005814.db2.gz YSTANZRNDZXVRM-JSGCOSHPSA-N 1 3 238.375 1.651 10 0 BDAEHO CC(C)[N@@H+]1C[C@H](NCC2=CCCOC2)[C@@H](C)C1 ZINC000127854989 323005815 /nfs/dbraw/zinc/00/58/15/323005815.db2.gz YSTANZRNDZXVRM-JSGCOSHPSA-N 1 3 238.375 1.651 10 0 BDAEHO CO[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000562956990 323035065 /nfs/dbraw/zinc/03/50/65/323035065.db2.gz DQTPEZOMEBKYMZ-WCFLWFBJSA-N 1 3 226.364 1.389 10 0 BDAEHO CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)C1CC1 ZINC000562956990 323035066 /nfs/dbraw/zinc/03/50/66/323035066.db2.gz DQTPEZOMEBKYMZ-WCFLWFBJSA-N 1 3 226.364 1.389 10 0 BDAEHO COCC(C)(C)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000562957098 323035109 /nfs/dbraw/zinc/03/51/09/323035109.db2.gz WEEHMXYAHDKGSJ-NEPJUHHUSA-N 1 3 228.380 1.637 10 0 BDAEHO COCCCCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000562958357 323035249 /nfs/dbraw/zinc/03/52/49/323035249.db2.gz AYMKCRWYYAUHQF-STQMWFEESA-N 1 3 228.380 1.781 10 0 BDAEHO CC(C)N(C)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000567642382 326237692 /nfs/dbraw/zinc/23/76/92/326237692.db2.gz ROZRBJGAZYUOED-OLZOCXBDSA-N 1 3 227.396 1.304 10 0 BDAEHO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000569093363 326389213 /nfs/dbraw/zinc/38/92/13/326389213.db2.gz LMITWSWNPQHFAG-WOPDTQHZSA-N 1 3 228.380 1.514 10 0 BDAEHO C[C@H](CC(C)(C)O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000569093363 326389214 /nfs/dbraw/zinc/38/92/14/326389214.db2.gz LMITWSWNPQHFAG-WOPDTQHZSA-N 1 3 228.380 1.514 10 0 BDAEHO COC[C@@H](C)NCC[C@@H]1CCCC[N@@H+]1C ZINC000049799934 488027450 /nfs/dbraw/zinc/02/74/50/488027450.db2.gz JBUFIYIOIDQKNW-NEPJUHHUSA-N 1 3 214.353 1.485 10 0 BDAEHO COC[C@@H](C)NCC[C@@H]1CCCC[N@H+]1C ZINC000049799934 488027453 /nfs/dbraw/zinc/02/74/53/488027453.db2.gz JBUFIYIOIDQKNW-NEPJUHHUSA-N 1 3 214.353 1.485 10 0 BDAEHO CO[C@H](C[NH2+]C1CCNCC1)C1CCCCC1 ZINC000665283058 490096372 /nfs/dbraw/zinc/09/63/72/490096372.db2.gz GQCNNPODBVWYPR-CQSZACIVSA-N 1 3 240.391 1.923 10 0 BDAEHO CO[C@H](CNC1CC[NH2+]CC1)C1CCCCC1 ZINC000665283058 490096365 /nfs/dbraw/zinc/09/63/65/490096365.db2.gz GQCNNPODBVWYPR-CQSZACIVSA-N 1 3 240.391 1.923 10 0 BDAEHO C[C@@H](NCC1(CO)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400359853 490282193 /nfs/dbraw/zinc/28/21/93/490282193.db2.gz PVGYCSGAKQCFFZ-OLZOCXBDSA-N 1 3 240.391 1.517 10 0 BDAEHO COC[C@H](C)C[N@@H+]1CCC[C@]12CCCNC2 ZINC000757129265 582504658 /nfs/dbraw/zinc/50/46/58/582504658.db2.gz LAYRDXDLGLKRDM-OLZOCXBDSA-N 1 3 226.364 1.487 10 0 BDAEHO COC[C@H](C)C[N@H+]1CCC[C@]12CCCNC2 ZINC000757129265 582504659 /nfs/dbraw/zinc/50/46/59/582504659.db2.gz LAYRDXDLGLKRDM-OLZOCXBDSA-N 1 3 226.364 1.487 10 0 BDAEHO COC[C@H](C)CN1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757132652 582508011 /nfs/dbraw/zinc/50/80/11/582508011.db2.gz RPUHSDKTTIIYPQ-BFHYXJOUSA-N 1 3 240.391 1.733 10 0 BDAEHO COC[C@H](C)C[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757132652 582508012 /nfs/dbraw/zinc/50/80/12/582508012.db2.gz RPUHSDKTTIIYPQ-BFHYXJOUSA-N 1 3 240.391 1.733 10 0 BDAEHO COC[C@H](C)C[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757132652 582508014 /nfs/dbraw/zinc/50/80/14/582508014.db2.gz RPUHSDKTTIIYPQ-BFHYXJOUSA-N 1 3 240.391 1.733 10 0 BDAEHO C[C@H](NCCOCC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400356703 533860136 /nfs/dbraw/zinc/86/01/36/533860136.db2.gz OQHHQRDJEKZVKN-GXTWGEPZSA-N 1 3 240.391 1.781 10 0 BDAEHO C[C@H](NCCc1ccco1)[C@H]1CC[NH2+]C1 ZINC000400702047 533874126 /nfs/dbraw/zinc/87/41/26/533874126.db2.gz KFOCMDOFALTUPW-QWRGUYRKSA-N 1 3 208.305 1.410 10 0 BDAEHO C[C@H](NC[C@@H]1CCCCO1)[C@@H]1CC[NH2+]C1 ZINC000400456606 533880645 /nfs/dbraw/zinc/88/06/45/533880645.db2.gz QEALQUYKCRYCAJ-TUAOUCFPSA-N 1 3 212.337 1.143 10 0 BDAEHO C[C@H](NC[C@@H]1CCCCS1)[C@@H]1CC[NH2+]C1 ZINC000400341727 533881332 /nfs/dbraw/zinc/88/13/32/533881332.db2.gz GWQIJGXDNHTFLF-TUAOUCFPSA-N 1 3 228.405 1.860 10 0 BDAEHO CS[C@H](C)CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400466436 534060526 /nfs/dbraw/zinc/06/05/26/534060526.db2.gz WDQDFRSBTLUILK-KXUCPTDWSA-N 1 3 202.367 1.326 10 0 BDAEHO CC(C)C[C@H](CN(C)C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400720591 528502179 /nfs/dbraw/zinc/50/21/79/528502179.db2.gz OGVDQHSTVGMRHD-MJBXVCDLSA-N 1 3 241.423 1.693 10 0 BDAEHO CC(C)C[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)N(C)C ZINC000400350163 528532853 /nfs/dbraw/zinc/53/28/53/528532853.db2.gz JRFYCFGKHUAAIM-MGPQQGTHSA-N 1 3 241.423 1.550 10 0 BDAEHO CC[C@H]1CC[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000226745166 536094068 /nfs/dbraw/zinc/09/40/68/536094068.db2.gz AEKKJFUNZDMRPU-QWHCGFSZSA-N 1 3 228.380 1.733 10 0 BDAEHO CN(CCC[NH+]1CCCC1)CC1CC(O)C1 ZINC000084454011 536346348 /nfs/dbraw/zinc/34/63/48/536346348.db2.gz UZIKUASOSOPVEM-UHFFFAOYSA-N 1 3 226.364 1.175 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@]2(CCCN2CC2CC2)C1 ZINC000757135108 582514058 /nfs/dbraw/zinc/51/40/58/582514058.db2.gz YVOWYHYXNWAPAQ-AAEUAGOBSA-N 1 3 208.349 1.860 10 0 BDAEHO C[C@@H]1CNC[C@]2(CCC[N@@H+]2CC2CC2)C1 ZINC000757135108 582514059 /nfs/dbraw/zinc/51/40/59/582514059.db2.gz YVOWYHYXNWAPAQ-AAEUAGOBSA-N 1 3 208.349 1.860 10 0 BDAEHO C[C@@H]1CNC[C@]2(CCC[N@H+]2CC2CC2)C1 ZINC000757135108 582514060 /nfs/dbraw/zinc/51/40/60/582514060.db2.gz YVOWYHYXNWAPAQ-AAEUAGOBSA-N 1 3 208.349 1.860 10 0 BDAEHO CCC[C@H]1CC[NH2+]C2(CCN(CC)CC2)O1 ZINC000757151206 582535552 /nfs/dbraw/zinc/53/55/52/582535552.db2.gz QBNAPSAPLMGTRQ-LBPRGKRZSA-N 1 3 226.364 1.977 10 0 BDAEHO C[C@@H]1C[C@H](N)C[NH2+][C@H]1c1cccc(N)c1 ZINC000757208646 586437889 /nfs/dbraw/zinc/43/78/89/586437889.db2.gz AKIQZIONGWSEJP-JFUSQASVSA-N 1 3 205.305 1.267 10 0 BDAEHO Nc1cccc([C@@H]2CCN[C@@H](C[NH3+])C2)c1 ZINC000757213371 586439222 /nfs/dbraw/zinc/43/92/22/586439222.db2.gz JRUBCPXZXHHPHJ-ZYHUDNBSSA-N 1 3 205.305 1.063 10 0 BDAEHO CC(=O)c1cccc([C@H]2CNCC[C@H]2[NH3+])c1 ZINC000757219025 586442036 /nfs/dbraw/zinc/44/20/36/586442036.db2.gz XSZUJEUUVVCCQC-CHWSQXEVSA-N 1 3 218.300 1.293 10 0 BDAEHO CC(=O)c1cccc([C@H]2C[NH2+]CC[C@H]2N)c1 ZINC000757219025 586442037 /nfs/dbraw/zinc/44/20/37/586442037.db2.gz XSZUJEUUVVCCQC-CHWSQXEVSA-N 1 3 218.300 1.293 10 0 BDAEHO C[C@H]1CN2CCCC[C@H]2CN1C[C@H]1CCC[NH2+]1 ZINC000299933490 634401884 /nfs/dbraw/zinc/40/18/84/634401884.db2.gz GPMYQYDMYDTXTA-MJBXVCDLSA-N 1 3 237.391 1.297 10 0 BDAEHO COCC(C)(C)CC[NH2+]C1CCNCC1 ZINC000718777512 712782622 /nfs/dbraw/zinc/78/26/22/712782622.db2.gz YHTKCGXXLVSOPW-UHFFFAOYSA-N 1 3 214.353 1.391 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@H]1CNc1ccnc2ccccc21 ZINC000723793474 710731649 /nfs/dbraw/zinc/73/16/49/710731649.db2.gz RKQDHWRBDZWSBA-NEPJUHHUSA-N 1 3 241.338 1.924 10 0 BDAEHO CN(C[C@@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000051253023 711636809 /nfs/dbraw/zinc/63/68/09/711636809.db2.gz YOCKBBWSSMATTH-JTQLQIEISA-N 1 3 200.326 1.082 10 0 BDAEHO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1CCNCC1 ZINC000716665303 712569111 /nfs/dbraw/zinc/56/91/11/712569111.db2.gz HCTPTLJRATWRSL-RSLMWUCJSA-N 1 3 208.349 1.620 10 0 BDAEHO C[C@H](NC[C@@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]C1 ZINC000717627770 712662110 /nfs/dbraw/zinc/66/21/10/712662110.db2.gz VOQYHJXSPGKDSN-AVGNSLFASA-N 1 3 240.391 1.779 10 0 BDAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3ccns3)C[C@@H]12 ZINC000719833993 712824072 /nfs/dbraw/zinc/82/40/72/712824072.db2.gz UPPTZLDTZFQZHU-YUSALJHKSA-N 1 3 237.372 1.355 10 0 BDAEHO C(COCC1CCCC1)N[C@H]1CCC[NH2+]CC1 ZINC000313282161 398185070 /nfs/dbraw/zinc/18/50/70/398185070.db2.gz MPXLVNGHCALOPB-AWEZNQCLSA-N 1 3 240.391 1.925 10 0 BDAEHO C[C@H]1CCSCCN1CC1C[NH2+]C1 ZINC000306643036 361775916 /nfs/dbraw/zinc/77/59/16/361775916.db2.gz VOPHJHJPYFBIOO-VIFPVBQESA-N 1 3 200.351 1.033 10 0 BDAEHO C[C@H]1CCSCC[N@@H+]1CC1CNC1 ZINC000306643036 361775920 /nfs/dbraw/zinc/77/59/20/361775920.db2.gz VOPHJHJPYFBIOO-VIFPVBQESA-N 1 3 200.351 1.033 10 0 BDAEHO C[C@H]1CCSCC[N@H+]1CC1CNC1 ZINC000306643036 361775923 /nfs/dbraw/zinc/77/59/23/361775923.db2.gz VOPHJHJPYFBIOO-VIFPVBQESA-N 1 3 200.351 1.033 10 0 BDAEHO Cc1cc2nc(N)n(CC[NH+](C)C)c2cc1C ZINC000075415134 178302316 /nfs/dbraw/zinc/30/23/16/178302316.db2.gz GFPSNVIJVQTOSG-UHFFFAOYSA-N 1 3 232.331 1.797 10 0 BDAEHO [NH3+]C/C=C1\CCN(Cc2ccccc2)C1 ZINC000214924367 342919734 /nfs/dbraw/zinc/91/97/34/342919734.db2.gz APDCWTQURUEFOP-AWNIVKPZSA-N 1 3 202.301 1.777 10 0 BDAEHO CC1(C)COC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000313015181 343732283 /nfs/dbraw/zinc/73/22/83/343732283.db2.gz FHUXZWYBJABPIE-WDEREUQCSA-N 1 3 212.337 1.143 10 0 BDAEHO [NH3+]CCCN1C[C@H]2[C@H](CCC2(F)F)C1 ZINC000409433108 343826643 /nfs/dbraw/zinc/82/66/43/343826643.db2.gz XJCCDWVBOGRTHB-BDAKNGLRSA-N 1 3 204.264 1.312 10 0 BDAEHO [NH3+]CCCN1C[C@@H](CO)[C@@H](c2ccccc2)C1 ZINC000409435973 343836895 /nfs/dbraw/zinc/83/68/95/343836895.db2.gz XMZWHHLUMFVWQA-UONOGXRCSA-N 1 3 234.343 1.043 10 0 BDAEHO C[C@@H](CC[NH3+])N1C[C@@H](C)S[C@@H](C)C1 ZINC000069908131 343944699 /nfs/dbraw/zinc/94/46/99/343944699.db2.gz BIFJZLQQNHZCBM-LPEHRKFASA-N 1 3 202.367 1.550 10 0 BDAEHO CCSCC[C@H](C)[NH2+]C1CCNCC1 ZINC000133778050 344322145 /nfs/dbraw/zinc/32/21/45/344322145.db2.gz JUCVGJOAOVGXER-JTQLQIEISA-N 1 3 216.394 1.860 10 0 BDAEHO CS[C@H]1CCC[C@@H]1N1CCC([NH3+])CC1 ZINC000235083707 344774912 /nfs/dbraw/zinc/77/49/12/344774912.db2.gz XQUJUONLZGFRQJ-QWRGUYRKSA-N 1 3 214.378 1.694 10 0 BDAEHO CS[C@H]1CCC[C@@H]1[NH+]1CCC(N)CC1 ZINC000235083707 344774914 /nfs/dbraw/zinc/77/49/14/344774914.db2.gz XQUJUONLZGFRQJ-QWRGUYRKSA-N 1 3 214.378 1.694 10 0 BDAEHO C[C@H]1SCC[C@@]1(C[NH3+])N1CCCC1 ZINC000235621656 344959007 /nfs/dbraw/zinc/95/90/07/344959007.db2.gz AAKJVOSNXWLKGZ-ZJUUUORDSA-N 1 3 200.351 1.305 10 0 BDAEHO CO[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000570953498 323082823 /nfs/dbraw/zinc/08/28/23/323082823.db2.gz GIUWDHJQPQNUQB-JHJVBQTASA-N 1 3 228.380 1.635 10 0 BDAEHO CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCNC1)C(C)C ZINC000570953498 323082824 /nfs/dbraw/zinc/08/28/24/323082824.db2.gz GIUWDHJQPQNUQB-JHJVBQTASA-N 1 3 228.380 1.635 10 0 BDAEHO C([NH2+][C@@H]1CCCC12CC2)[C@H]1CCCNC1 ZINC000634998652 345198371 /nfs/dbraw/zinc/19/83/71/345198371.db2.gz JDFAICYFLKSVOO-NWDGAFQWSA-N 1 3 208.349 1.908 10 0 BDAEHO [NH3+]C1CCN(CC2CCSCC2)CC1 ZINC000229284466 345481093 /nfs/dbraw/zinc/48/10/93/345481093.db2.gz CYBBZQVLLSMRGA-UHFFFAOYSA-N 1 3 214.378 1.553 10 0 BDAEHO [NH3+][C@H]1CC[C@H](NCc2ccc(Cl)nn2)CC1 ZINC000257352190 345773841 /nfs/dbraw/zinc/77/38/41/345773841.db2.gz JREKBTAHPHKVRN-KYZUINATSA-N 1 3 240.738 1.490 10 0 BDAEHO C[C@H](N[C@H]1CC[C@H]([NH3+])CC1)c1cnccn1 ZINC000257352652 345774151 /nfs/dbraw/zinc/77/41/51/345774151.db2.gz MMEXWKAMBZHGLP-DCAQKATOSA-N 1 3 220.320 1.397 10 0 BDAEHO COC[C@@H](C)C[N@H+](C)[C@H]1CCCNCC1 ZINC000300232875 346420631 /nfs/dbraw/zinc/42/06/31/346420631.db2.gz IPGWCSUFAGNMFG-RYUDHWBXSA-N 1 3 214.353 1.343 10 0 BDAEHO COC[C@@H](C)C[N@@H+](C)[C@H]1CCCNCC1 ZINC000300232875 346420633 /nfs/dbraw/zinc/42/06/33/346420633.db2.gz IPGWCSUFAGNMFG-RYUDHWBXSA-N 1 3 214.353 1.343 10 0 BDAEHO COCCCN[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241368 537979012 /nfs/dbraw/zinc/97/90/12/537979012.db2.gz DXJJSZAFPLDZGD-RYUDHWBXSA-N 1 3 212.337 1.239 10 0 BDAEHO COCCCN[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000725241368 537979016 /nfs/dbraw/zinc/97/90/16/537979016.db2.gz DXJJSZAFPLDZGD-RYUDHWBXSA-N 1 3 212.337 1.239 10 0 BDAEHO Nc1cnccc1[C@@H]1CCC2(CC[NH2+]CC2)CN1 ZINC000585681316 346653748 /nfs/dbraw/zinc/65/37/48/346653748.db2.gz AXCPOGHWWDCOJE-ZDUSSCGKSA-N 1 3 246.358 1.458 10 0 BDAEHO C[C@H](CN[C@@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000390644073 259396492 /nfs/dbraw/zinc/39/64/92/259396492.db2.gz LSBYSHRGHQETBZ-UKRRQHHQSA-N 1 3 247.386 1.458 10 0 BDAEHO C[C@H](NCCc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000577267875 365908548 /nfs/dbraw/zinc/90/85/48/365908548.db2.gz PDKAGVVSBVSGFF-STQMWFEESA-N 1 3 233.359 1.602 10 0 BDAEHO CSCCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000591567837 347670595 /nfs/dbraw/zinc/67/05/95/347670595.db2.gz VWWHJLHAHHMCDG-UWVGGRQHSA-N 1 3 202.367 1.327 10 0 BDAEHO CSCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000591567837 347670598 /nfs/dbraw/zinc/67/05/98/347670598.db2.gz VWWHJLHAHHMCDG-UWVGGRQHSA-N 1 3 202.367 1.327 10 0 BDAEHO Cc1nccn1CC[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000049330236 180260496 /nfs/dbraw/zinc/26/04/96/180260496.db2.gz CAZZULDTTGQSOB-CYBMUJFWSA-N 1 3 248.374 1.265 10 0 BDAEHO C(CN1CC[C@]2(CCOC2)C1)C[NH+]1CCCC1 ZINC000163263848 350513228 /nfs/dbraw/zinc/51/32/28/350513228.db2.gz KHDXVRSNFQJWHY-AWEZNQCLSA-N 1 3 238.375 1.585 10 0 BDAEHO Cc1nn(CCN(C)C)c(C)c1C[NH2+]C(C)C ZINC000036868772 180387539 /nfs/dbraw/zinc/38/75/39/180387539.db2.gz ZOSMIMDJJPKBOW-UHFFFAOYSA-N 1 3 238.379 1.560 10 0 BDAEHO NCC[N@@H+]1CCC[C@@H](c2ccccn2)CC1 ZINC000616602051 350790753 /nfs/dbraw/zinc/79/07/53/350790753.db2.gz QMUPQQSOXSTQMX-GFCCVEGCSA-N 1 3 219.332 1.610 10 0 BDAEHO NCC[N@H+]1CCC[C@@H](c2ccccn2)CC1 ZINC000616602051 350790758 /nfs/dbraw/zinc/79/07/58/350790758.db2.gz QMUPQQSOXSTQMX-GFCCVEGCSA-N 1 3 219.332 1.610 10 0 BDAEHO [NH3+]C[C@@H]1CCN(Cc2ccccc2)CCO1 ZINC000616664105 351215824 /nfs/dbraw/zinc/21/58/24/351215824.db2.gz NXATYESHYGASAD-ZDUSSCGKSA-N 1 3 220.316 1.236 10 0 BDAEHO C[C@H]([C@H](C)N)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000306972401 351395010 /nfs/dbraw/zinc/39/50/10/351395010.db2.gz VTZCRZLTVOZISO-QCLAVDOMSA-N 1 3 202.367 1.548 10 0 BDAEHO C[C@H]([C@H](C)N)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000306972401 351395011 /nfs/dbraw/zinc/39/50/11/351395011.db2.gz VTZCRZLTVOZISO-QCLAVDOMSA-N 1 3 202.367 1.548 10 0 BDAEHO CS[C@@H]1CCCN([C@H]2CC[C@@H]2C[NH3+])C1 ZINC000307253206 351783910 /nfs/dbraw/zinc/78/39/10/351783910.db2.gz UUGSFUIBMVXFIU-MXWKQRLJSA-N 1 3 214.378 1.551 10 0 BDAEHO CS[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H]2CN)C1 ZINC000307253206 351783912 /nfs/dbraw/zinc/78/39/12/351783912.db2.gz UUGSFUIBMVXFIU-MXWKQRLJSA-N 1 3 214.378 1.551 10 0 BDAEHO CS[C@@H]1CCC[N@H+]([C@H]2CC[C@@H]2CN)C1 ZINC000307253206 351783913 /nfs/dbraw/zinc/78/39/13/351783913.db2.gz UUGSFUIBMVXFIU-MXWKQRLJSA-N 1 3 214.378 1.551 10 0 BDAEHO CS[C@@H]1CCCN(C2CC([NH3+])C2)C1 ZINC000307352147 352259156 /nfs/dbraw/zinc/25/91/56/352259156.db2.gz BSEJFKSVHPVXFL-UDNWOFFPSA-N 1 3 200.351 1.304 10 0 BDAEHO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000049557806 188298581 /nfs/dbraw/zinc/29/85/81/188298581.db2.gz NLMDVEGOYMEWAH-RYUDHWBXSA-N 1 3 243.395 1.077 10 0 BDAEHO CN([C@H](C[NH3+])C(C)(C)C)[C@@H]1CCCN(C)C1 ZINC000053205482 188300872 /nfs/dbraw/zinc/30/08/72/188300872.db2.gz LHDQTZFXXXWALW-VXGBXAGGSA-N 1 3 227.396 1.386 10 0 BDAEHO CN1CCC[C@@H]([N@H+](C)[C@H](CN)C(C)(C)C)C1 ZINC000053205482 188300873 /nfs/dbraw/zinc/30/08/73/188300873.db2.gz LHDQTZFXXXWALW-VXGBXAGGSA-N 1 3 227.396 1.386 10 0 BDAEHO CN1CCC[C@@H]([N@@H+](C)[C@H](CN)C(C)(C)C)C1 ZINC000053205482 188300874 /nfs/dbraw/zinc/30/08/74/188300874.db2.gz LHDQTZFXXXWALW-VXGBXAGGSA-N 1 3 227.396 1.386 10 0 BDAEHO CN(CC[C@@H]1CCC[NH2+]1)[C@@H]1CCCN(C)C1 ZINC000053247499 188300902 /nfs/dbraw/zinc/30/09/02/188300902.db2.gz JFFBTIYMEFGAPY-QWHCGFSZSA-N 1 3 225.380 1.155 10 0 BDAEHO C(C[C@@H]1CCC[NH2+]1)CN1CCSCC1 ZINC000052764563 188334156 /nfs/dbraw/zinc/33/41/56/188334156.db2.gz ZLIYEZMBRMMWKE-NSHDSACASA-N 1 3 214.378 1.567 10 0 BDAEHO COCC1(C[NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000656200476 538784418 /nfs/dbraw/zinc/78/44/18/538784418.db2.gz NBIABZXUMDCAJO-VXGBXAGGSA-N 1 3 226.364 1.391 10 0 BDAEHO CCOc1ccc([C@H]2CCNC[C@H]2[NH3+])cc1 ZINC000685948585 538891119 /nfs/dbraw/zinc/89/11/19/538891119.db2.gz QRAFEXXOVXNDQE-CHWSQXEVSA-N 1 3 220.316 1.490 10 0 BDAEHO Cc1cnn(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192968908 357862441 /nfs/dbraw/zinc/86/24/41/357862441.db2.gz IOSZLJKRRWJOAJ-AGUYFDCRSA-N 1 3 248.374 1.406 10 0 BDAEHO Cc1cnn(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192968908 357862437 /nfs/dbraw/zinc/86/24/37/357862437.db2.gz IOSZLJKRRWJOAJ-AGUYFDCRSA-N 1 3 248.374 1.406 10 0 BDAEHO NCCC[NH2+][C@H]1C[C@H](OCc2ccccc2)C1 ZINC000584614769 358279657 /nfs/dbraw/zinc/27/96/57/358279657.db2.gz CEQSRZVYWOOWQH-HDJSIYSDSA-N 1 3 234.343 1.673 10 0 BDAEHO [NH3+]CCCN[C@H]1C[C@H](OCc2ccccc2)C1 ZINC000584614769 358279658 /nfs/dbraw/zinc/27/96/58/358279658.db2.gz CEQSRZVYWOOWQH-HDJSIYSDSA-N 1 3 234.343 1.673 10 0 BDAEHO C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)CN1CCCC1 ZINC000226229862 358336250 /nfs/dbraw/zinc/33/62/50/358336250.db2.gz RLUUGCCWFIPHCH-BFHYXJOUSA-N 1 3 240.391 1.611 10 0 BDAEHO CC(C)Cn1cc([C@H]2NCC23CC[NH2+]CC3)cn1 ZINC000536956809 360007632 /nfs/dbraw/zinc/00/76/32/360007632.db2.gz AKLMSAAZRSOUGU-CYBMUJFWSA-N 1 3 248.374 1.553 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000379723343 361359909 /nfs/dbraw/zinc/35/99/09/361359909.db2.gz NHWIOYURZJFRKO-YNEHKIRRSA-N 1 3 240.391 1.610 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000379723343 361359914 /nfs/dbraw/zinc/35/99/14/361359914.db2.gz NHWIOYURZJFRKO-YNEHKIRRSA-N 1 3 240.391 1.610 10 0 BDAEHO C1CC1[C@H]1C[C@@H](N[C@@H]2CCC[NH2+]CC2)CO1 ZINC000629547806 361431509 /nfs/dbraw/zinc/43/15/09/361431509.db2.gz LUVDVKVEZLYUOD-JHJVBQTASA-N 1 3 224.348 1.286 10 0 BDAEHO CC[C@H](C)CN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630359389 364078663 /nfs/dbraw/zinc/07/86/63/364078663.db2.gz CTJSPKXEPPLGQS-QJPTWQEYSA-N 1 3 214.353 1.471 10 0 BDAEHO NCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1C=C[C@H]2CC1 ZINC000072236211 181380752 /nfs/dbraw/zinc/38/07/52/181380752.db2.gz WBGQAEYRFILPQR-YVECIDJPSA-N 1 3 206.333 1.479 10 0 BDAEHO NCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1C=C[C@H]2CC1 ZINC000072236211 181380754 /nfs/dbraw/zinc/38/07/54/181380754.db2.gz WBGQAEYRFILPQR-YVECIDJPSA-N 1 3 206.333 1.479 10 0 BDAEHO C[C@H](NC[C@H](O)CC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000574391319 365051605 /nfs/dbraw/zinc/05/16/05/365051605.db2.gz QERUVCLSARSOQO-RWMBFGLXSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@H]1CCCNC1 ZINC000574391319 365051607 /nfs/dbraw/zinc/05/16/07/365051607.db2.gz QERUVCLSARSOQO-RWMBFGLXSA-N 1 3 242.407 1.761 10 0 BDAEHO C[NH2+]Cc1cccc(OC2CCN(C)CC2)c1 ZINC000075171496 368336897 /nfs/dbraw/zinc/33/68/97/368336897.db2.gz JVCPFNWIDQJUQD-UHFFFAOYSA-N 1 3 234.343 1.879 10 0 BDAEHO [NH3+][C@@H]1CCCCC[C@H]1CN1CCC(O)CC1 ZINC000053860617 181573310 /nfs/dbraw/zinc/57/33/10/181573310.db2.gz LEFKXCCBCQXEMY-WCQYABFASA-N 1 3 226.364 1.351 10 0 BDAEHO [NH3+][C@H]1CC[C@H](NCC(=O)c2cccs2)CC1 ZINC000100267951 181591433 /nfs/dbraw/zinc/59/14/33/181591433.db2.gz SGLJTTMBSZYKFG-AOOOYVTPSA-N 1 3 238.356 1.790 10 0 BDAEHO C[C@@H](C[NH3+])CN1CCSC(C)(C)C1 ZINC000133276260 372017278 /nfs/dbraw/zinc/01/72/78/372017278.db2.gz FEWVIRLUUBVGRT-VIFPVBQESA-N 1 3 202.367 1.409 10 0 BDAEHO CCCN(CC[NH2+]C1CCCC1)CCN(C)C ZINC000041681608 169159740 /nfs/dbraw/zinc/15/97/40/169159740.db2.gz XYQHPHVYJXUMNK-UHFFFAOYSA-N 1 3 241.423 1.792 10 0 BDAEHO CCC[NH+]1CCC(NC2=NC[C@@H](C)S2)CC1 ZINC000049559146 169188237 /nfs/dbraw/zinc/18/82/37/169188237.db2.gz WZPTULMALMMAHN-SNVBAGLBSA-N 1 3 241.404 1.942 10 0 BDAEHO CCCN1CCN(CC[C@H]2CCC[NH2+]2)CC1 ZINC000042171896 169203173 /nfs/dbraw/zinc/20/31/73/169203173.db2.gz JWAZSWIQTQGVMJ-CYBMUJFWSA-N 1 3 225.380 1.156 10 0 BDAEHO CCCN1CCN([C@H](C[NH3+])CC(C)C)CC1 ZINC000022173178 169203534 /nfs/dbraw/zinc/20/35/34/169203534.db2.gz RJVCCLXFXDMGTP-ZDUSSCGKSA-N 1 3 227.396 1.387 10 0 BDAEHO c1cc(CCN[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000049565122 183338638 /nfs/dbraw/zinc/33/86/38/183338638.db2.gz YTOBVQDSVVTULV-HUUCEWRRSA-N 1 3 245.370 1.841 10 0 BDAEHO c1cc(CCN[C@@H]2CC[N@H+]3CCCC[C@H]23)ccn1 ZINC000049565122 183338639 /nfs/dbraw/zinc/33/86/39/183338639.db2.gz YTOBVQDSVVTULV-HUUCEWRRSA-N 1 3 245.370 1.841 10 0 BDAEHO CCCNCc1ccc(COCC[NH+](C)C)o1 ZINC000052669563 169266517 /nfs/dbraw/zinc/26/65/17/169266517.db2.gz MIQMZUKJTCGMHC-UHFFFAOYSA-N 1 3 240.347 1.857 10 0 BDAEHO CCC[C@@H](N)C[N@@H+]1CCCSCC1 ZINC000042444950 169392835 /nfs/dbraw/zinc/39/28/35/169392835.db2.gz HQKCAEKGFMQSIA-SNVBAGLBSA-N 1 3 202.367 1.553 10 0 BDAEHO CCC[C@@H](N)C[N@H+]1CCCSCC1 ZINC000042444950 169392836 /nfs/dbraw/zinc/39/28/36/169392836.db2.gz HQKCAEKGFMQSIA-SNVBAGLBSA-N 1 3 202.367 1.553 10 0 BDAEHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000068590911 384001646 /nfs/dbraw/zinc/00/16/46/384001646.db2.gz CZRLDAXSBGABDL-KBPBESRZSA-N 1 3 218.344 1.946 10 0 BDAEHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1 ZINC000068590911 384001648 /nfs/dbraw/zinc/00/16/48/384001648.db2.gz CZRLDAXSBGABDL-KBPBESRZSA-N 1 3 218.344 1.946 10 0 BDAEHO CS[C@H]1CCC[C@@H]1[NH2+]C1CC(N)C1 ZINC000235138063 384206964 /nfs/dbraw/zinc/20/69/64/384206964.db2.gz ZHAAROBWYUVSAF-QLEHZGMVSA-N 1 3 200.351 1.350 10 0 BDAEHO CS[C@H]1CCC[C@@H]1NC1CC([NH3+])C1 ZINC000235138063 384206966 /nfs/dbraw/zinc/20/69/66/384206966.db2.gz ZHAAROBWYUVSAF-QLEHZGMVSA-N 1 3 200.351 1.350 10 0 BDAEHO NC[C@H]1CC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000061590684 384518707 /nfs/dbraw/zinc/51/87/07/384518707.db2.gz FIYXWAYSURVQEF-NXEZZACHSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@H]1CC[N@H+]([C@@H]2CCCSC2)C1 ZINC000061590684 384518714 /nfs/dbraw/zinc/51/87/14/384518714.db2.gz FIYXWAYSURVQEF-NXEZZACHSA-N 1 3 200.351 1.163 10 0 BDAEHO C[C@@H]1C[C@@]2(CCN1C)[NH2+]C(C)(C)CS2 ZINC000156990321 385479980 /nfs/dbraw/zinc/47/99/80/385479980.db2.gz MVMGRQSXKKYAPO-KOLCDFICSA-N 1 3 214.378 1.912 10 0 BDAEHO C[C@H]1CNCC[N@@H+]([C@H]2CCSC2)C1 ZINC000258093466 385537886 /nfs/dbraw/zinc/53/78/86/385537886.db2.gz KJGDTWZLCFUXGF-UWVGGRQHSA-N 1 3 200.351 1.033 10 0 BDAEHO C[C@H]1CNCC[N@H+]([C@H]2CCSC2)C1 ZINC000258093466 385537888 /nfs/dbraw/zinc/53/78/88/385537888.db2.gz KJGDTWZLCFUXGF-UWVGGRQHSA-N 1 3 200.351 1.033 10 0 BDAEHO C[C@@H]1CSC[C@H]1[N@@H+]1CCC[C@H](N)C1 ZINC000306445653 387165641 /nfs/dbraw/zinc/16/56/41/387165641.db2.gz QZGVGLCNNAOBLE-KXUCPTDWSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1CSC[C@H]1[N@H+]1CCC[C@H](N)C1 ZINC000306445653 387165647 /nfs/dbraw/zinc/16/56/47/387165647.db2.gz QZGVGLCNNAOBLE-KXUCPTDWSA-N 1 3 200.351 1.161 10 0 BDAEHO CC1C[NH+]([C@]2(CN)CS[C@@H](C)C2)C1 ZINC000575494428 387277982 /nfs/dbraw/zinc/27/79/82/387277982.db2.gz RLYJZYNNDZYXLC-VHSXEESVSA-N 1 3 200.351 1.161 10 0 BDAEHO CC1C[NH+]([C@@]2(CN)CS[C@H](C)C2)C1 ZINC000575494430 387278000 /nfs/dbraw/zinc/27/80/00/387278000.db2.gz RLYJZYNNDZYXLC-ZJUUUORDSA-N 1 3 200.351 1.161 10 0 BDAEHO [NH3+][C@H]1CCC[C@@H]1CN1CCSCC1 ZINC000053864452 387517284 /nfs/dbraw/zinc/51/72/84/387517284.db2.gz BRGSVQIQYYJGBQ-ZJUUUORDSA-N 1 3 200.351 1.163 10 0 BDAEHO C[C@H](C[NH2+]C1CCNCC1)CC(F)(F)F ZINC000396934155 387521568 /nfs/dbraw/zinc/52/15/68/387521568.db2.gz PUSBYSZDGUVATD-QMMMGPOBSA-N 1 3 224.270 1.917 10 0 BDAEHO C[C@H](NCCN1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643456761 387692707 /nfs/dbraw/zinc/69/27/07/387692707.db2.gz WWRGXHUBBQVPMT-QWHCGFSZSA-N 1 3 225.380 1.060 10 0 BDAEHO Cc1csc(CCN[C@@H]2CCC[NH2+]CC2)n1 ZINC000168750202 387909466 /nfs/dbraw/zinc/90/94/66/387909466.db2.gz RFTWNUIKVDOKJD-LLVKDONJSA-N 1 3 239.388 1.726 10 0 BDAEHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCNCC2)[C@H](C)O1 ZINC000423174928 387962401 /nfs/dbraw/zinc/96/24/01/387962401.db2.gz DCLZDNICVXOIGW-YVECIDJPSA-N 1 3 226.364 1.532 10 0 BDAEHO CC(C)[C@@H](CN[C@@H]1CC[NH2+]C1)N1CCCC1 ZINC000086725750 388107751 /nfs/dbraw/zinc/10/77/51/388107751.db2.gz COKCTRHCJQRYQH-CHWSQXEVSA-N 1 3 225.380 1.058 10 0 BDAEHO CC[C@@H]([NH2+][C@H]1CCCNCC1)C(C)(C)O ZINC000394005864 388448727 /nfs/dbraw/zinc/44/87/27/388448727.db2.gz UWBCHPIDISVBAJ-WDEREUQCSA-N 1 3 214.353 1.268 10 0 BDAEHO C[C@H](N[C@@H]1C[C@H](O)C1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000521858998 388634506 /nfs/dbraw/zinc/63/45/06/388634506.db2.gz MCSIPWLQBLQQJF-QCNOEVLYSA-N 1 3 226.364 1.124 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CCCNC1 ZINC000566088885 388986727 /nfs/dbraw/zinc/98/67/27/388986727.db2.gz GRELXANPIOKREB-KXNHARMFSA-N 1 3 228.405 1.858 10 0 BDAEHO C[C@H](N[C@@H]1CS[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000566088885 388986729 /nfs/dbraw/zinc/98/67/29/388986729.db2.gz GRELXANPIOKREB-KXNHARMFSA-N 1 3 228.405 1.858 10 0 BDAEHO C[NH2+][C@@H]1CO[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000575508169 388993806 /nfs/dbraw/zinc/99/38/06/388993806.db2.gz OOMUTXJGFMZXGF-GJZGRUSLSA-N 1 3 246.354 1.639 10 0 BDAEHO CO[C@H](C)[C@H](C)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000222740294 134333977 /nfs/dbraw/zinc/33/39/77/134333977.db2.gz NTHXGKWLTCSAOI-IRCOFANPSA-N 1 3 214.353 1.482 10 0 BDAEHO CN(CCC[NH+](C)C)C[C@@H]1CCCC[C@H]1O ZINC000250342828 135052983 /nfs/dbraw/zinc/05/29/83/135052983.db2.gz DLQDDIJWNPFESR-QWHCGFSZSA-N 1 3 228.380 1.421 10 0 BDAEHO CC[C@@H]1CCC[C@H](CNC[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000263205602 135339250 /nfs/dbraw/zinc/33/92/50/135339250.db2.gz JQDFDNOIJXMAQX-RFGFWPKPSA-N 1 3 240.391 1.373 10 0 BDAEHO CC[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CNC[C@@H]2O)C1 ZINC000263205602 135339251 /nfs/dbraw/zinc/33/92/51/135339251.db2.gz JQDFDNOIJXMAQX-RFGFWPKPSA-N 1 3 240.391 1.373 10 0 BDAEHO O[C@@H]1C[NH2+]C[C@H]1CNCCC1CCCCC1 ZINC000263317179 135346757 /nfs/dbraw/zinc/34/67/57/135346757.db2.gz ZQROLJWDWGROEP-CHWSQXEVSA-N 1 3 226.364 1.127 10 0 BDAEHO CCCN1CC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000665274084 410742617 /nfs/dbraw/zinc/74/26/17/410742617.db2.gz JKSPTKRLEWKOFV-MJBXVCDLSA-N 1 3 239.407 1.448 10 0 BDAEHO CC(C)NCc1ccoc1COCC[NH+](C)C ZINC000052669537 167120721 /nfs/dbraw/zinc/12/07/21/167120721.db2.gz ZBURBONCTIUQNB-UHFFFAOYSA-N 1 3 240.347 1.856 10 0 BDAEHO CC(C)[C@@H](C[NH3+])OC1CCN(C)CC1 ZINC000052596732 167396713 /nfs/dbraw/zinc/39/67/13/167396713.db2.gz NHBKRIBVHCGSEN-LLVKDONJSA-N 1 3 200.326 1.081 10 0 BDAEHO C1[C@@H]2CC[C@@H]([NH2+][C@@H]3CCCNCC3)C[C@H]12 ZINC000403687555 411353901 /nfs/dbraw/zinc/35/39/01/411353901.db2.gz RKNQTGXIMDTHBS-WUHRBBMRSA-N 1 3 208.349 1.907 10 0 BDAEHO C[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000656782775 411360463 /nfs/dbraw/zinc/36/04/63/411360463.db2.gz JPNAMBMQTFXTGT-UPJWGTAASA-N 1 3 233.359 1.773 10 0 BDAEHO CC[NH2+]CCCCCN(C)Cc1cnn(C)c1 ZINC000052570402 170111809 /nfs/dbraw/zinc/11/18/09/170111809.db2.gz OIZNTFSLRCTZNW-UHFFFAOYSA-N 1 3 238.379 1.632 10 0 BDAEHO CCNC[C@H](O)C[N@H+](CCOC)C(CC)CC ZINC000042615904 170121665 /nfs/dbraw/zinc/12/16/65/170121665.db2.gz QYRVVEWVESJZGK-ZDUSSCGKSA-N 1 3 246.395 1.094 10 0 BDAEHO CCNC[C@H](O)C[N@@H+](CCOC)C(CC)CC ZINC000042615904 170121667 /nfs/dbraw/zinc/12/16/67/170121667.db2.gz QYRVVEWVESJZGK-ZDUSSCGKSA-N 1 3 246.395 1.094 10 0 BDAEHO CC[NH2+]C[C@H](O)CN(CCOC)C(CC)CC ZINC000042615904 170121670 /nfs/dbraw/zinc/12/16/70/170121670.db2.gz QYRVVEWVESJZGK-ZDUSSCGKSA-N 1 3 246.395 1.094 10 0 BDAEHO CCN[C@H](CC[N@H+](C)CCO)c1ccccc1 ZINC000053933775 170161282 /nfs/dbraw/zinc/16/12/82/170161282.db2.gz AEURTMITPOWWEK-CQSZACIVSA-N 1 3 236.359 1.651 10 0 BDAEHO CCN[C@H](CC[N@@H+](C)CCO)c1ccccc1 ZINC000053933775 170161284 /nfs/dbraw/zinc/16/12/84/170161284.db2.gz AEURTMITPOWWEK-CQSZACIVSA-N 1 3 236.359 1.651 10 0 BDAEHO CCOC1CC[NH+]([C@@H]2CCC[C@H]2CN)CC1 ZINC000040678531 170332414 /nfs/dbraw/zinc/33/24/14/170332414.db2.gz IPIBOGPMRXLMMQ-WCQYABFASA-N 1 3 226.364 1.615 10 0 BDAEHO CCOC1CCN([C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000040678531 170332415 /nfs/dbraw/zinc/33/24/15/170332415.db2.gz IPIBOGPMRXLMMQ-WCQYABFASA-N 1 3 226.364 1.615 10 0 BDAEHO CC[C@@H]1CCN(C[C@@H]2CCCOC2)CC[NH2+]1 ZINC000044982824 171012966 /nfs/dbraw/zinc/01/29/66/171012966.db2.gz IJKGSIYYRJNINR-QWHCGFSZSA-N 1 3 226.364 1.487 10 0 BDAEHO CC[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)CCN1 ZINC000044982824 171012970 /nfs/dbraw/zinc/01/29/70/171012970.db2.gz IJKGSIYYRJNINR-QWHCGFSZSA-N 1 3 226.364 1.487 10 0 BDAEHO CC[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)CCN1 ZINC000044982824 171012972 /nfs/dbraw/zinc/01/29/72/171012972.db2.gz IJKGSIYYRJNINR-QWHCGFSZSA-N 1 3 226.364 1.487 10 0 BDAEHO CC[C@@H]1CCN([C@@H]2CCCN(C)C2)CC[NH2+]1 ZINC000049662305 171014492 /nfs/dbraw/zinc/01/44/92/171014492.db2.gz GOSJWSVBTNGORX-CHWSQXEVSA-N 1 3 225.380 1.155 10 0 BDAEHO CC[C@@H]1CC[C@@H]([NH3+])[C@H](CN(CCO)C2CC2)C1 ZINC000053880322 171041125 /nfs/dbraw/zinc/04/11/25/171041125.db2.gz PJPLCCFFPHBDGV-MBNYWOFBSA-N 1 3 240.391 1.597 10 0 BDAEHO CC[C@@](C)(C[NH3+])CN1CCN(C(C)(C)C)CC1 ZINC000051257986 171166740 /nfs/dbraw/zinc/16/67/40/171166740.db2.gz RZBUCLXHOAOHGO-AWEZNQCLSA-N 1 3 241.423 1.778 10 0 BDAEHO CC[C@H](C)[N@H+](C)C1(CN)CCN(C)CC1 ZINC000037109853 171304380 /nfs/dbraw/zinc/30/43/80/171304380.db2.gz ZUSYHTNEIHVIOR-NSHDSACASA-N 1 3 213.369 1.140 10 0 BDAEHO CC[C@H](C)[N@@H+](C)C1(CN)CCN(C)CC1 ZINC000037109853 171304382 /nfs/dbraw/zinc/30/43/82/171304382.db2.gz ZUSYHTNEIHVIOR-NSHDSACASA-N 1 3 213.369 1.140 10 0 BDAEHO CC[C@H](C)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000055066897 171318510 /nfs/dbraw/zinc/31/85/10/171318510.db2.gz SHFOVTHUEOYENR-STQMWFEESA-N 1 3 225.380 1.012 10 0 BDAEHO CC[C@H](C)N1CCN([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055065348 171319350 /nfs/dbraw/zinc/31/93/50/171319350.db2.gz VREDHVDEEULBQZ-MELADBBJSA-N 1 3 239.407 1.672 10 0 BDAEHO CC[C@H](CC[NH3+])N1CCN([C@@H](C)CC)CC1 ZINC000037049596 171319407 /nfs/dbraw/zinc/31/94/07/171319407.db2.gz HJIHYWWEYCPSDI-QWHCGFSZSA-N 1 3 227.396 1.530 10 0 BDAEHO CC[C@H](C)[C@H](CN)[N@H+](CCN(C)C)CC(C)C ZINC000042744423 171392536 /nfs/dbraw/zinc/39/25/36/171392536.db2.gz LZPOOJCYIPVUJT-KBPBESRZSA-N 1 3 243.439 1.879 10 0 BDAEHO CC[C@H](C)[C@H](CN)[N@@H+](CCN(C)C)CC(C)C ZINC000042744423 171392538 /nfs/dbraw/zinc/39/25/38/171392538.db2.gz LZPOOJCYIPVUJT-KBPBESRZSA-N 1 3 243.439 1.879 10 0 BDAEHO CC[C@H](C)[C@H](CN[C@H]1CCC[NH2+]CC1)OC ZINC000362975359 171393596 /nfs/dbraw/zinc/39/35/96/171393596.db2.gz FCYDMKDRLFAJPW-AVGNSLFASA-N 1 3 228.380 1.779 10 0 BDAEHO CO[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000665276130 412219380 /nfs/dbraw/zinc/21/93/80/412219380.db2.gz YWAXWVCVNILZBX-MRVWCRGKSA-N 1 3 240.391 1.779 10 0 BDAEHO CN1CCCN([C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000034676256 173017192 /nfs/dbraw/zinc/01/71/92/173017192.db2.gz GITCWTVYIMNOLM-HNNXBMFYSA-N 1 3 247.386 1.194 10 0 BDAEHO CN(C[C@@H](O)C(C)(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000336721917 173042512 /nfs/dbraw/zinc/04/25/12/173042512.db2.gz XRKZAEXRZSVLCL-QWHCGFSZSA-N 1 3 242.407 1.667 10 0 BDAEHO CN(C[C@@H](O)C(C)(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336721917 173042514 /nfs/dbraw/zinc/04/25/14/173042514.db2.gz XRKZAEXRZSVLCL-QWHCGFSZSA-N 1 3 242.407 1.667 10 0 BDAEHO CN1CCC[C@H](C[NH2+]C[C@H](O)c2ccco2)C1 ZINC000070141787 173043010 /nfs/dbraw/zinc/04/30/10/173043010.db2.gz KQQQYSQNYMNFLV-NEPJUHHUSA-N 1 3 238.331 1.244 10 0 BDAEHO C[NH2+]Cc1ccoc1CN(C)[C@@H]1CCSC1 ZINC000052453155 173390924 /nfs/dbraw/zinc/39/09/24/173390924.db2.gz XKNXONNCCXQLDF-LLVKDONJSA-N 1 3 240.372 1.936 10 0 BDAEHO C[NH2+][C@@H]1CCCC[C@@H]1CN(C)C1CCOCC1 ZINC000053858328 173431186 /nfs/dbraw/zinc/43/11/86/173431186.db2.gz MEBAQTJBCJEMHO-TZMCWYRMSA-N 1 3 240.391 1.875 10 0 BDAEHO COC1CC[NH+]([C@H]2CCCC[C@@H]2CN)CC1 ZINC000037265716 174030302 /nfs/dbraw/zinc/03/03/02/174030302.db2.gz RJRVJLOHYBBLAW-YPMHNXCESA-N 1 3 226.364 1.615 10 0 BDAEHO COC1CC[NH+]([C@@H]2C[C@@H](C)CC[C@@H]2CN)CC1 ZINC000037265708 174030417 /nfs/dbraw/zinc/03/04/17/174030417.db2.gz VDRYGTSWQQTUEM-OUCADQQQSA-N 1 3 240.391 1.861 10 0 BDAEHO COCCC[NH2+]CCCN1CCCC1 ZINC000041210386 174247140 /nfs/dbraw/zinc/24/71/40/174247140.db2.gz DALOUQUDWYVHON-UHFFFAOYSA-N 1 3 200.326 1.098 10 0 BDAEHO COCC[N@H+](C)CC[C@H](N)c1ccc(F)cc1 ZINC000053984527 174278988 /nfs/dbraw/zinc/27/89/88/174278988.db2.gz UTVPWPVYCZQDNA-ZDUSSCGKSA-N 1 3 240.322 1.794 10 0 BDAEHO COCC[N@@H+](C)CC[C@H](N)c1ccc(F)cc1 ZINC000053984527 174278990 /nfs/dbraw/zinc/27/89/90/174278990.db2.gz UTVPWPVYCZQDNA-ZDUSSCGKSA-N 1 3 240.322 1.794 10 0 BDAEHO COCC[N@H+](C[C@@H]1CCCNC1)[C@@H](C)C1CC1 ZINC000042689363 174298316 /nfs/dbraw/zinc/29/83/16/174298316.db2.gz DIQOPSPZHWKIKC-QWHCGFSZSA-N 1 3 240.391 1.733 10 0 BDAEHO COCC[N@@H+](C[C@@H]1CCCNC1)[C@@H](C)C1CC1 ZINC000042689363 174298318 /nfs/dbraw/zinc/29/83/18/174298318.db2.gz DIQOPSPZHWKIKC-QWHCGFSZSA-N 1 3 240.391 1.733 10 0 BDAEHO COCCN([C@H](C)COC)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042602059 174302215 /nfs/dbraw/zinc/30/22/15/174302215.db2.gz SWULTYLWHGYBCP-JHJVBQTASA-N 1 3 244.379 1.097 10 0 BDAEHO COc1ccc(C[C@H](CN)C[NH+]2CCCC2)cc1 ZINC000011800183 175117290 /nfs/dbraw/zinc/11/72/90/175117290.db2.gz AQCNSUVWEINQFV-CQSZACIVSA-N 1 3 248.370 1.908 10 0 BDAEHO COc1cccc(C[C@H](C[NH3+])CN(C)C)c1 ZINC000011799975 175271389 /nfs/dbraw/zinc/27/13/89/175271389.db2.gz GXUUCPPWYPXOGN-GFCCVEGCSA-N 1 3 222.332 1.374 10 0 BDAEHO COc1ccccc1C[C@H](C[NH3+])CN(C)C ZINC000011799971 175333543 /nfs/dbraw/zinc/33/35/43/175333543.db2.gz LKOWEPPRGNLLDT-LLVKDONJSA-N 1 3 222.332 1.374 10 0 BDAEHO C[C@@H]([NH3+])[C@H](C)N1CCN(C(C)(C)C)CC1 ZINC000042462030 176011452 /nfs/dbraw/zinc/01/14/52/176011452.db2.gz YCMXRNRNWXXJEZ-MNOVXSKESA-N 1 3 213.369 1.138 10 0 BDAEHO C[C@@H]1CN(C2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000055144215 176281283 /nfs/dbraw/zinc/28/12/83/176281283.db2.gz SPUNAZQUSHKSBT-QYNFOATHSA-N 1 3 212.337 1.366 10 0 BDAEHO C[C@H]1CCCC[N@@H+]1C1(CN)CCN(C)CC1 ZINC000019482420 177073789 /nfs/dbraw/zinc/07/37/89/177073789.db2.gz QJVDBKMTGANEHE-LBPRGKRZSA-N 1 3 225.380 1.284 10 0 BDAEHO C[C@H]1CCCC[N@H+]1C1(CN)CCN(C)CC1 ZINC000019482420 177073790 /nfs/dbraw/zinc/07/37/90/177073790.db2.gz QJVDBKMTGANEHE-LBPRGKRZSA-N 1 3 225.380 1.284 10 0 BDAEHO C[C@H]1CN(C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000055144212 177241539 /nfs/dbraw/zinc/24/15/39/177241539.db2.gz SPUNAZQUSHKSBT-JYBOHDQNSA-N 1 3 212.337 1.366 10 0 BDAEHO C[C@H](NC[C@@H]1CCCC[C@H]1O)[C@H]1CC[NH2+]C1 ZINC000400382465 225107260 /nfs/dbraw/zinc/10/72/60/225107260.db2.gz KSBHVODMMJASLK-ZDEQEGDKSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@@H](C[NH2+]C1CCNCC1)CC(F)(F)F ZINC000396934151 262828557 /nfs/dbraw/zinc/82/85/57/262828557.db2.gz PUSBYSZDGUVATD-MRVPVSSYSA-N 1 3 224.270 1.917 10 0 BDAEHO CCCN(CCN(C)C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136447339 487735927 /nfs/dbraw/zinc/73/59/27/487735927.db2.gz BQDJQVJLWMLBGC-LBPRGKRZSA-N 1 3 243.395 1.160 10 0 BDAEHO CN(CCc1ccnn1C)[C@@H]1CCC[NH2+]CC1 ZINC000226468272 487753088 /nfs/dbraw/zinc/75/30/88/487753088.db2.gz LYXFCETYONKZQR-GFCCVEGCSA-N 1 3 236.363 1.037 10 0 BDAEHO COCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000666774680 487878553 /nfs/dbraw/zinc/87/85/53/487878553.db2.gz RHBSJFQIIJULFY-SRVKXCTJSA-N 1 3 214.353 1.389 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403765768 323013036 /nfs/dbraw/zinc/01/30/36/323013036.db2.gz SEFZSYZVOBHAET-GRYCIOLGSA-N 1 3 208.349 1.764 10 0 BDAEHO C[C@@H]([NH2+]CCC[C@H](C)CO)[C@H]1CCCNC1 ZINC000562959454 323035321 /nfs/dbraw/zinc/03/53/21/323035321.db2.gz QFKGYGCSPYZGQY-XQQFMLRXSA-N 1 3 228.380 1.373 10 0 BDAEHO CCC(O)(CC)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000571312871 323140967 /nfs/dbraw/zinc/14/09/67/323140967.db2.gz IUXBFVPQJPMTHM-NEPJUHHUSA-N 1 3 228.380 1.515 10 0 BDAEHO CCC(O)(CC)CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000571312871 323140968 /nfs/dbraw/zinc/14/09/68/323140968.db2.gz IUXBFVPQJPMTHM-NEPJUHHUSA-N 1 3 228.380 1.515 10 0 BDAEHO CCC(O)(CC)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000571312878 323141016 /nfs/dbraw/zinc/14/10/16/323141016.db2.gz IUXBFVPQJPMTHM-VXGBXAGGSA-N 1 3 228.380 1.515 10 0 BDAEHO CCC(O)(CC)CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571312878 323141017 /nfs/dbraw/zinc/14/10/17/323141017.db2.gz IUXBFVPQJPMTHM-VXGBXAGGSA-N 1 3 228.380 1.515 10 0 BDAEHO C[C@@H]([NH2+]CC(C)(C)CCCO)[C@H]1CCCNC1 ZINC000566091063 325992684 /nfs/dbraw/zinc/99/26/84/325992684.db2.gz YVNJCUPTJWSLPV-OLZOCXBDSA-N 1 3 242.407 1.763 10 0 BDAEHO C[C@H]([NH2+]CCC1(O)CCC1)[C@H]1CCCNC1 ZINC000567639299 326236133 /nfs/dbraw/zinc/23/61/33/326236133.db2.gz FIFJFHRFDORPAK-RYUDHWBXSA-N 1 3 226.364 1.269 10 0 BDAEHO C[C@H](NCCC1(O)CCC1)[C@H]1CCC[NH2+]C1 ZINC000567639299 326236135 /nfs/dbraw/zinc/23/61/35/326236135.db2.gz FIFJFHRFDORPAK-RYUDHWBXSA-N 1 3 226.364 1.269 10 0 BDAEHO C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)[C@H]1CCCNC1 ZINC000567647067 326238115 /nfs/dbraw/zinc/23/81/15/326238115.db2.gz QVCQXMOIBLHKML-RWMBFGLXSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@H](N[C@@H](CO)CC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000567647067 326238118 /nfs/dbraw/zinc/23/81/18/326238118.db2.gz QVCQXMOIBLHKML-RWMBFGLXSA-N 1 3 242.407 1.761 10 0 BDAEHO Cc1ccc(CCN[C@H](C)[C@@H]2CC[NH2+]C2)o1 ZINC000568618540 326367672 /nfs/dbraw/zinc/36/76/72/326367672.db2.gz KTKISMTVBFQRPO-VXGBXAGGSA-N 1 3 222.332 1.718 10 0 BDAEHO C[C@H](N[C@@H]1CSC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000568868846 326378800 /nfs/dbraw/zinc/37/88/00/326378800.db2.gz UWPNWJGDMRPROX-GARJFASQSA-N 1 3 228.405 1.858 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CSC1(C)C)[C@H]1CCCNC1 ZINC000568868846 326378801 /nfs/dbraw/zinc/37/88/01/326378801.db2.gz UWPNWJGDMRPROX-GARJFASQSA-N 1 3 228.405 1.858 10 0 BDAEHO CC(C)CN1CCC2(CC1)[NH2+][C@H](C)CCO2 ZINC000757143593 582524007 /nfs/dbraw/zinc/52/40/07/582524007.db2.gz DNVPWZTXUWLABH-GFCCVEGCSA-N 1 3 226.364 1.833 10 0 BDAEHO CCC[C@@H]1CCO[C@@]2(CCCN(C)CC2)[NH2+]1 ZINC000757147706 582531596 /nfs/dbraw/zinc/53/15/96/582531596.db2.gz SQPNYSHFLRQLME-CHWSQXEVSA-N 1 3 226.364 1.977 10 0 BDAEHO C[C@H](NC[C@@]1(C)CCCS1)[C@@H]1CC[NH2+]C1 ZINC000400339377 533891671 /nfs/dbraw/zinc/89/16/71/533891671.db2.gz GIGYJWNHSPQSET-QJPTWQEYSA-N 1 3 228.405 1.860 10 0 BDAEHO CC(C)OCCCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400360021 527948324 /nfs/dbraw/zinc/94/83/24/527948324.db2.gz NJDLSCKXHRWOPG-NWDGAFQWSA-N 1 3 214.353 1.389 10 0 BDAEHO CC(C)OCCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400360022 527948414 /nfs/dbraw/zinc/94/84/14/527948414.db2.gz NJDLSCKXHRWOPG-RYUDHWBXSA-N 1 3 214.353 1.389 10 0 BDAEHO CCC[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)OC ZINC000400356860 528155676 /nfs/dbraw/zinc/15/56/76/528155676.db2.gz AUJHEZJGOHKVQF-IJLUTSLNSA-N 1 3 214.353 1.389 10 0 BDAEHO CCCCOCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400402366 528611374 /nfs/dbraw/zinc/61/13/74/528611374.db2.gz QPRSCIAOSCXQGS-RYUDHWBXSA-N 1 3 214.353 1.391 10 0 BDAEHO CCN1CCC[C@@H]1CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400591213 529083186 /nfs/dbraw/zinc/08/31/86/529083186.db2.gz UJRHMRDPKHDCKR-JHJVBQTASA-N 1 3 225.380 1.058 10 0 BDAEHO CCN1CCC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400335881 529091991 /nfs/dbraw/zinc/09/19/91/529091991.db2.gz ABUVVNMSMIYJJS-RWMBFGLXSA-N 1 3 225.380 1.201 10 0 BDAEHO CC1(CO)CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000334320500 535161894 /nfs/dbraw/zinc/16/18/94/535161894.db2.gz ZWEVJGBYKLNXPR-LBPRGKRZSA-N 1 3 226.364 1.080 10 0 BDAEHO CC1(CO)CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000334320500 535161895 /nfs/dbraw/zinc/16/18/95/535161895.db2.gz ZWEVJGBYKLNXPR-LBPRGKRZSA-N 1 3 226.364 1.080 10 0 BDAEHO CC[C@H](COC)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000222739053 536122554 /nfs/dbraw/zinc/12/25/54/536122554.db2.gz OZHSPGSYONHBHC-GRYCIOLGSA-N 1 3 214.353 1.484 10 0 BDAEHO C[C@H]1C[C@@H]1[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757124130 582499654 /nfs/dbraw/zinc/49/96/54/582499654.db2.gz BYFROMSCBQYATD-CYDGBPFRSA-N 1 3 208.349 1.859 10 0 BDAEHO C[C@H]1C[C@@H]1[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757124130 582499656 /nfs/dbraw/zinc/49/96/56/582499656.db2.gz BYFROMSCBQYATD-CYDGBPFRSA-N 1 3 208.349 1.859 10 0 BDAEHO COC[C@H](C)C[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757134875 582513345 /nfs/dbraw/zinc/51/33/45/582513345.db2.gz XFELTDUEADGMFW-MGPQQGTHSA-N 1 3 240.391 1.875 10 0 BDAEHO COC[C@H](C)C[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757134875 582513346 /nfs/dbraw/zinc/51/33/46/582513346.db2.gz XFELTDUEADGMFW-MGPQQGTHSA-N 1 3 240.391 1.875 10 0 BDAEHO COC[C@H](C)CN1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757134875 582513347 /nfs/dbraw/zinc/51/33/47/582513347.db2.gz XFELTDUEADGMFW-MGPQQGTHSA-N 1 3 240.391 1.875 10 0 BDAEHO CN1CCC2(CC1)[NH2+][C@@H](C(C)(C)C)CCO2 ZINC000757141725 582522469 /nfs/dbraw/zinc/52/24/69/582522469.db2.gz PTPNSSSDXYCCHS-LLVKDONJSA-N 1 3 226.364 1.833 10 0 BDAEHO C[C@@H]1C[C@@H](N)C[NH2+][C@@H]1c1cccc(N)c1 ZINC000757208644 586438051 /nfs/dbraw/zinc/43/80/51/586438051.db2.gz AKIQZIONGWSEJP-FXAINCCUSA-N 1 3 205.305 1.267 10 0 BDAEHO C[C@@H]1CC[C@H](CN)[C@H](C2CCOCC2)[NH2+]1 ZINC000757213221 586439580 /nfs/dbraw/zinc/43/95/80/586439580.db2.gz OZLDGWDVNYEERS-JLLWLGSASA-N 1 3 212.337 1.128 10 0 BDAEHO CC(=O)c1cccc([C@H]2CNCC[C@@H]2[NH3+])c1 ZINC000757219044 586442465 /nfs/dbraw/zinc/44/24/65/586442465.db2.gz XSZUJEUUVVCCQC-OLZOCXBDSA-N 1 3 218.300 1.293 10 0 BDAEHO CC(=O)c1cccc([C@H]2C[NH2+]CC[C@@H]2N)c1 ZINC000757219044 586442466 /nfs/dbraw/zinc/44/24/66/586442466.db2.gz XSZUJEUUVVCCQC-OLZOCXBDSA-N 1 3 218.300 1.293 10 0 BDAEHO C[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1N ZINC000235325377 632667157 /nfs/dbraw/zinc/66/71/57/632667157.db2.gz YJAKJTKXJJIJDR-KOLCDFICSA-N 1 3 210.346 1.570 10 0 BDAEHO C[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1N ZINC000235325377 632667160 /nfs/dbraw/zinc/66/71/60/632667160.db2.gz YJAKJTKXJJIJDR-KOLCDFICSA-N 1 3 210.346 1.570 10 0 BDAEHO [NH3+][C@@H]1CC[C@@H]2CN(C[C@@H](O)c3ccccc3)C[C@H]12 ZINC000311052926 633059572 /nfs/dbraw/zinc/05/95/72/633059572.db2.gz HAYKUDNVFPCCQY-LXTVHRRPSA-N 1 3 246.354 1.389 10 0 BDAEHO COC[C@H](CN1C[C@H](C)[C@H]([NH3+])C1)C(C)C ZINC000721909654 711814576 /nfs/dbraw/zinc/81/45/76/711814576.db2.gz AZZFHHYXGUPTRB-SDDRHHMPSA-N 1 3 214.353 1.184 10 0 BDAEHO CO[C@@H]1C[C@H](NC2CC([NH+](C)C)C2)C12CCC2 ZINC000701483225 712024520 /nfs/dbraw/zinc/02/45/20/712024520.db2.gz OSKOLFBQUSDPAV-IFWUJCSASA-N 1 3 238.375 1.626 10 0 BDAEHO C[C@@H](NCCc1ccns1)[C@@H]1CC[NH2+]C1 ZINC000709967899 712235715 /nfs/dbraw/zinc/23/57/15/712235715.db2.gz RLBXBHNVTNVDGQ-NXEZZACHSA-N 1 3 225.361 1.273 10 0 BDAEHO CC[C@@H]1C[C@H]1CN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000723138015 710726096 /nfs/dbraw/zinc/72/60/96/710726096.db2.gz JEFOLBDHDYEKJH-YVECIDJPSA-N 1 3 226.364 1.471 10 0 BDAEHO CC[C@@H]1C[C@H]1CN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000723138010 710725822 /nfs/dbraw/zinc/72/58/22/710725822.db2.gz JEFOLBDHDYEKJH-VOAKCMCISA-N 1 3 226.364 1.471 10 0 BDAEHO C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CC[C@@H](C2CC2)O1 ZINC000722316860 711735189 /nfs/dbraw/zinc/73/51/89/711735189.db2.gz UXSXKJJUCIBWFP-MCIONIFRSA-N 1 3 238.375 1.676 10 0 BDAEHO CN(C)C1(C)CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000709852025 712229766 /nfs/dbraw/zinc/22/97/66/712229766.db2.gz LYYYIWORARHSQJ-VXGBXAGGSA-N 1 3 226.364 1.316 10 0 BDAEHO CC1(C)CC[C@H](CN[C@@H]2CCC[NH2+]CC2)OC1 ZINC000711390894 712297171 /nfs/dbraw/zinc/29/71/71/712297171.db2.gz PGSBJAPKXVVFAR-CHWSQXEVSA-N 1 3 240.391 1.923 10 0 BDAEHO C[C@@H]1CN(C[C@@H]2CC[C@@H](C3CC3)O2)C[C@@H]1C[NH3+] ZINC000715391232 712522257 /nfs/dbraw/zinc/52/22/57/712522257.db2.gz DKCRZJWMJRFSFD-SAXRGWBVSA-N 1 3 238.375 1.471 10 0 BDAEHO CCN1CC[C@H]([NH3+])[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955185 538900855 /nfs/dbraw/zinc/90/08/55/538900855.db2.gz VRJQPRHZDHCKMB-USZNOCQGSA-N 1 3 212.337 1.366 10 0 BDAEHO Cc1cc([C@H](C)[NH3+])ccc1OCCN(C)C ZINC000041241508 178244200 /nfs/dbraw/zinc/24/42/00/178244200.db2.gz XTNUYDYAQIQYPC-NSHDSACASA-N 1 3 222.332 1.955 10 0 BDAEHO C[C@@H]([NH2+]CCCCF)[C@H]1CCCNC1 ZINC000566088832 398253399 /nfs/dbraw/zinc/25/33/99/398253399.db2.gz VMYWBYMRGGJKEZ-MNOVXSKESA-N 1 3 202.317 1.714 10 0 BDAEHO COC1(c2ccccc2)CCN(CCC[NH3+])CC1 ZINC000138188927 342786568 /nfs/dbraw/zinc/78/65/68/342786568.db2.gz LQSJZCFASMUIKM-UHFFFAOYSA-N 1 3 248.370 1.973 10 0 BDAEHO CC(F)(F)[C@@H]1CCCN(CCC[NH3+])C1 ZINC000409425726 343820179 /nfs/dbraw/zinc/82/01/79/343820179.db2.gz GPYJJQFXEORTOW-SECBINFHSA-N 1 3 206.280 1.702 10 0 BDAEHO [NH3+]CCCN1C[C@H](CO)[C@@H](c2ccccc2)C1 ZINC000409435974 343836947 /nfs/dbraw/zinc/83/69/47/343836947.db2.gz XMZWHHLUMFVWQA-ZIAGYGMSSA-N 1 3 234.343 1.043 10 0 BDAEHO CS[C@H]1CCC[C@H]1N1CCC([NH3+])CC1 ZINC000235222624 343870255 /nfs/dbraw/zinc/87/02/55/343870255.db2.gz XQUJUONLZGFRQJ-MNOVXSKESA-N 1 3 214.378 1.694 10 0 BDAEHO CS[C@H]1CCC[C@H]1[NH+]1CCC(N)CC1 ZINC000235222624 343870258 /nfs/dbraw/zinc/87/02/58/343870258.db2.gz XQUJUONLZGFRQJ-MNOVXSKESA-N 1 3 214.378 1.694 10 0 BDAEHO C[C@@H](CC[NH3+])N1C[C@@H](C)S[C@H](C)C1 ZINC000069908133 343944398 /nfs/dbraw/zinc/94/43/98/343944398.db2.gz BIFJZLQQNHZCBM-IVZWLZJFSA-N 1 3 202.367 1.550 10 0 BDAEHO CS[C@@H]1CCC[C@@H]1[NH2+]C1CC(N)C1 ZINC000235157745 344824642 /nfs/dbraw/zinc/82/46/42/344824642.db2.gz ZHAAROBWYUVSAF-HORUIINNSA-N 1 3 200.351 1.350 10 0 BDAEHO CS[C@@H]1CCC[C@@H]1NC1CC([NH3+])C1 ZINC000235157745 344824643 /nfs/dbraw/zinc/82/46/43/344824643.db2.gz ZHAAROBWYUVSAF-HORUIINNSA-N 1 3 200.351 1.350 10 0 BDAEHO CS[C@H]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC000235244278 344856771 /nfs/dbraw/zinc/85/67/71/344856771.db2.gz JJXOLPIIIFZVER-MNOVXSKESA-N 1 3 214.378 1.694 10 0 BDAEHO CS[C@@H]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC000235258435 344859714 /nfs/dbraw/zinc/85/97/14/344859714.db2.gz JJXOLPIIIFZVER-GHMZBOCLSA-N 1 3 214.378 1.694 10 0 BDAEHO CN1CCC(C[NH3+])(c2ccccc2F)CC1 ZINC000033487123 345800949 /nfs/dbraw/zinc/80/09/49/345800949.db2.gz KIIXLICOQFIXGL-UHFFFAOYSA-N 1 3 222.307 1.748 10 0 BDAEHO [NH3+]CCc1ccc(CN2CCCC2)cc1F ZINC000140534554 345855824 /nfs/dbraw/zinc/85/58/24/345855824.db2.gz GMXFLPWGYZBQRU-UHFFFAOYSA-N 1 3 222.307 1.923 10 0 BDAEHO CC[C@@H]1CN(Cc2ccccc2)CC[C@]1(O)C[NH3+] ZINC000307700342 345904232 /nfs/dbraw/zinc/90/42/32/345904232.db2.gz LWSCMQGDXGIKOZ-CABCVRRESA-N 1 3 248.370 1.608 10 0 BDAEHO N[C@@H](C[NH3+])C[C@H]1CCc2ccccc2C1 ZINC000169191936 346755284 /nfs/dbraw/zinc/75/52/84/346755284.db2.gz OVTZQVVSWMGEDH-GXFFZTMASA-N 1 3 204.317 1.468 10 0 BDAEHO CO[C@@H]([C@H](C)N[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000388260899 347273260 /nfs/dbraw/zinc/27/32/60/347273260.db2.gz AGZWPWIJXLKEEB-DRZSPHRISA-N 1 3 226.364 1.532 10 0 BDAEHO CO[C@@H]([C@H](C)[NH2+][C@H]1CCCNCC1)C1CC1 ZINC000388260899 347273264 /nfs/dbraw/zinc/27/32/64/347273264.db2.gz AGZWPWIJXLKEEB-DRZSPHRISA-N 1 3 226.364 1.532 10 0 BDAEHO CO[C@@H]([C@@H](C)N[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000388261504 347275887 /nfs/dbraw/zinc/27/58/87/347275887.db2.gz AGZWPWIJXLKEEB-WXHSDQCUSA-N 1 3 226.364 1.532 10 0 BDAEHO CO[C@@H]([C@@H](C)[NH2+][C@H]1CCCNCC1)C1CC1 ZINC000388261504 347275889 /nfs/dbraw/zinc/27/58/89/347275889.db2.gz AGZWPWIJXLKEEB-WXHSDQCUSA-N 1 3 226.364 1.532 10 0 BDAEHO Cc1ccccc1CCN1CCC([NH3+])CC1 ZINC000071520967 179264087 /nfs/dbraw/zinc/26/40/87/179264087.db2.gz RAIUVMQXUUYEND-UHFFFAOYSA-N 1 3 218.344 1.961 10 0 BDAEHO CSCCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000591567839 347671016 /nfs/dbraw/zinc/67/10/16/347671016.db2.gz VWWHJLHAHHMCDG-ZJUUUORDSA-N 1 3 202.367 1.327 10 0 BDAEHO CSCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000591567839 347671020 /nfs/dbraw/zinc/67/10/20/347671020.db2.gz VWWHJLHAHHMCDG-ZJUUUORDSA-N 1 3 202.367 1.327 10 0 BDAEHO Cc1ncc(C[NH2+]C[C@H]2CCN(C)C2)s1 ZINC000037797622 180151921 /nfs/dbraw/zinc/15/19/21/180151921.db2.gz HZMALAUCVPILNF-SNVBAGLBSA-N 1 3 225.361 1.493 10 0 BDAEHO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)CCN(C)C ZINC000049553565 180341032 /nfs/dbraw/zinc/34/10/32/180341032.db2.gz DERLIXGILWFWLR-JTQLQIEISA-N 1 3 238.379 1.467 10 0 BDAEHO C[C@H](C[NH3+])[C@H](C)N1CCSC[C@H]1C ZINC000252610159 350912905 /nfs/dbraw/zinc/91/29/05/350912905.db2.gz ULTHJTTVIOSKEX-BBBLOLIVSA-N 1 3 202.367 1.407 10 0 BDAEHO COC(C)(C)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000252824775 350915550 /nfs/dbraw/zinc/91/55/50/350915550.db2.gz DSDXCQGWOAKMAM-NXEZZACHSA-N 1 3 200.326 1.081 10 0 BDAEHO C[C@H](OCCN(C)Cc1ccccc1)C(N)=[NH2+] ZINC000306758921 350969589 /nfs/dbraw/zinc/96/95/89/350969589.db2.gz UTVPJESRWAVGSP-NSHDSACASA-N 1 3 235.331 1.459 10 0 BDAEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(N)=[NH2+] ZINC000306787458 351037137 /nfs/dbraw/zinc/03/71/37/351037137.db2.gz QNNZTSIULQLLKQ-LBPRGKRZSA-N 1 3 246.358 1.476 10 0 BDAEHO C[C@@H]1CSC[C@@H]1[NH2+]C1CCNCC1 ZINC000307023943 351429669 /nfs/dbraw/zinc/42/96/69/351429669.db2.gz YHPZCTLTSCADRL-SCZZXKLOSA-N 1 3 200.351 1.080 10 0 BDAEHO C[C@@H]1CSC[C@@H]1NC1CC[NH2+]CC1 ZINC000307023943 351429674 /nfs/dbraw/zinc/42/96/74/351429674.db2.gz YHPZCTLTSCADRL-SCZZXKLOSA-N 1 3 200.351 1.080 10 0 BDAEHO C[C@@H]1[C@@H]([NH3+])CCN1C1CCSCC1 ZINC000307211420 351611110 /nfs/dbraw/zinc/61/11/10/351611110.db2.gz NTQPOSCUYBDDHI-SCZZXKLOSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@H]1SCC[C@H]1N(C)C1CC([NH3+])C1 ZINC000307245276 351753199 /nfs/dbraw/zinc/75/31/99/351753199.db2.gz MBGQGVJQQGZIQM-SEZDTBSWSA-N 1 3 200.351 1.302 10 0 BDAEHO C[C@@H]1CCCN1CC[C@H]1CSCC[NH2+]1 ZINC000252153514 363179459 /nfs/dbraw/zinc/17/94/59/363179459.db2.gz MWOUROAPROBJBG-MNOVXSKESA-N 1 3 214.378 1.566 10 0 BDAEHO CC(C)[C@@H](CCO)[NH2+]CCCN1CCCC1 ZINC000227012560 535181517 /nfs/dbraw/zinc/18/15/17/535181517.db2.gz QCFROPILPPOYCF-CYBMUJFWSA-N 1 3 228.380 1.469 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[N@@H+]1CC[C@H](CN)C1 ZINC000300351524 352559730 /nfs/dbraw/zinc/55/97/30/352559730.db2.gz BESFMCGULWDRIF-AEJSXWLSSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[N@H+]1CC[C@H](CN)C1 ZINC000300351524 352559733 /nfs/dbraw/zinc/55/97/33/352559733.db2.gz BESFMCGULWDRIF-AEJSXWLSSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1CSC[C@@H]1[N@@H+]1CC[C@@H](CN)C1 ZINC000307514917 352631792 /nfs/dbraw/zinc/63/17/92/352631792.db2.gz OYDXYOQZDJADEK-UTLUCORTSA-N 1 3 200.351 1.019 10 0 BDAEHO C[C@@H]1CSC[C@@H]1[N@H+]1CC[C@@H](CN)C1 ZINC000307514917 352631794 /nfs/dbraw/zinc/63/17/94/352631794.db2.gz OYDXYOQZDJADEK-UTLUCORTSA-N 1 3 200.351 1.019 10 0 BDAEHO CC(C)[N@H+](CCCO)[C@H]1CCCCC[C@@H]1CN ZINC000042498983 188294300 /nfs/dbraw/zinc/29/43/00/188294300.db2.gz YCZXUILTYDVNLO-KGLIPLIRSA-N 1 3 242.407 1.987 10 0 BDAEHO CC(C)[N@@H+](CCCO)[C@H]1CCCCC[C@@H]1CN ZINC000042498983 188294302 /nfs/dbraw/zinc/29/43/02/188294302.db2.gz YCZXUILTYDVNLO-KGLIPLIRSA-N 1 3 242.407 1.987 10 0 BDAEHO C[C@@H]1CSCCN1[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223182973 353319228 /nfs/dbraw/zinc/31/92/28/353319228.db2.gz RSFROWGUWKGZOW-OPRDCNLKSA-N 1 3 200.351 1.304 10 0 BDAEHO CC(C)[C@H]1CC[C@H](N)[C@H]([N@@H+]2CCCOCC2)C1 ZINC000061917543 188360078 /nfs/dbraw/zinc/36/00/78/188360078.db2.gz CMYZVSWMWOXTGM-MELADBBJSA-N 1 3 240.391 1.861 10 0 BDAEHO CC(C)[C@H]1CC[C@H](N)[C@H]([N@H+]2CCCOCC2)C1 ZINC000061917543 188360080 /nfs/dbraw/zinc/36/00/80/188360080.db2.gz CMYZVSWMWOXTGM-MELADBBJSA-N 1 3 240.391 1.861 10 0 BDAEHO COc1ccc([C@@H]2CNCC[C@H]2[NH3+])cc1 ZINC000211544420 353719998 /nfs/dbraw/zinc/71/99/98/353719998.db2.gz OJFLHQIKOUJJIH-NWDGAFQWSA-N 1 3 206.289 1.099 10 0 BDAEHO COc1ccc([C@@H]2C[NH2+]CC[C@H]2N)cc1 ZINC000211544420 353719999 /nfs/dbraw/zinc/71/99/99/353719999.db2.gz OJFLHQIKOUJJIH-NWDGAFQWSA-N 1 3 206.289 1.099 10 0 BDAEHO CN1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000093678024 538599840 /nfs/dbraw/zinc/59/98/40/538599840.db2.gz ZJVVRGSFPXIAPB-AGUYFDCRSA-N 1 3 237.391 1.155 10 0 BDAEHO [NH3+]Cc1cncc(CN2CCCCC2)c1 ZINC000257886653 538771832 /nfs/dbraw/zinc/77/18/32/538771832.db2.gz STESDCSPZDWKGY-UHFFFAOYSA-N 1 3 205.305 1.526 10 0 BDAEHO CO[C@@H]1CCC[N@@H+](C2[C@@H](C)CNC[C@@H]2C)C1 ZINC000685951388 538894717 /nfs/dbraw/zinc/89/47/17/538894717.db2.gz RUUZHICKVWVEAJ-SDDRHHMPSA-N 1 3 226.364 1.341 10 0 BDAEHO CO[C@@H]1CCC[N@H+](C2[C@@H](C)CNC[C@@H]2C)C1 ZINC000685951388 538894724 /nfs/dbraw/zinc/89/47/24/538894724.db2.gz RUUZHICKVWVEAJ-SDDRHHMPSA-N 1 3 226.364 1.341 10 0 BDAEHO C(C[NH2+][C@@H]1CCCNCC1)COCC1CC1 ZINC000168711997 134246695 /nfs/dbraw/zinc/24/66/95/134246695.db2.gz VCMOAYLWMCZOFK-CYBMUJFWSA-N 1 3 226.364 1.535 10 0 BDAEHO C[C@H]([NH3+])CCN1CCSC(C)(C)CC1 ZINC000231052048 358578849 /nfs/dbraw/zinc/57/88/49/358578849.db2.gz KGPUPMGVMXMBEY-JTQLQIEISA-N 1 3 216.394 1.941 10 0 BDAEHO CC(C)N(C)C[C@@H]1COC(C)(C)[C@H]1[NH3+] ZINC000306248677 359445870 /nfs/dbraw/zinc/44/58/70/359445870.db2.gz XQUAPWNUMWQDMK-ZJUUUORDSA-N 1 3 200.326 1.079 10 0 BDAEHO C[C@H]1CSCCN1[C@@H]1CCC[NH2+]CC1 ZINC000069761863 360421512 /nfs/dbraw/zinc/42/15/12/360421512.db2.gz VQSPBDVAJFBPSG-WDEREUQCSA-N 1 3 214.378 1.566 10 0 BDAEHO FC1(F)C[C@@H]1CC[NH2+][C@H]1CCCNCC1 ZINC000622044061 370675870 /nfs/dbraw/zinc/67/58/70/370675870.db2.gz SZXRTCIOKAMTFO-UWVGGRQHSA-N 1 3 218.291 1.763 10 0 BDAEHO NC1(C[NH2+]C[C@@H]2CCCO2)CCCCC1 ZINC000040410413 181332843 /nfs/dbraw/zinc/33/28/43/181332843.db2.gz AXVVBNJQPZQYBH-NSHDSACASA-N 1 3 212.337 1.417 10 0 BDAEHO CO[C@H]1CN(CC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630365889 364083733 /nfs/dbraw/zinc/08/37/33/364083733.db2.gz WQTXSQJQBQMOJH-VXGBXAGGSA-N 1 3 212.337 1.225 10 0 BDAEHO CO[C@@H]1CN(CC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630365887 364083747 /nfs/dbraw/zinc/08/37/47/364083747.db2.gz WQTXSQJQBQMOJH-NWDGAFQWSA-N 1 3 212.337 1.225 10 0 BDAEHO NCC(C[NH3+])c1ccccc1Br ZINC000071533887 181357406 /nfs/dbraw/zinc/35/74/06/181357406.db2.gz GDZOVKSVKPNBTH-UHFFFAOYSA-N 1 3 229.121 1.450 10 0 BDAEHO [NH3+]CC1(N2CCCC2)CCSCC1 ZINC000042334890 181360184 /nfs/dbraw/zinc/36/01/84/181360184.db2.gz COYJXFYYYHHUHW-UHFFFAOYSA-N 1 3 200.351 1.307 10 0 BDAEHO CS[C@H](C)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000575914814 365412371 /nfs/dbraw/zinc/41/23/71/365412371.db2.gz FUADHCPNZPHRPK-MXWKQRLJSA-N 1 3 216.394 1.716 10 0 BDAEHO CS[C@H](C)CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000575914814 365412375 /nfs/dbraw/zinc/41/23/75/365412375.db2.gz FUADHCPNZPHRPK-MXWKQRLJSA-N 1 3 216.394 1.716 10 0 BDAEHO OC[C@H]([NH2+][C@@H]1CCCNCC1)C1CCCC1 ZINC000385975954 367892545 /nfs/dbraw/zinc/89/25/45/367892545.db2.gz HKALCONKCSKFIY-OLZOCXBDSA-N 1 3 226.364 1.269 10 0 BDAEHO OC[C@H](N[C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000385975954 367892550 /nfs/dbraw/zinc/89/25/50/367892550.db2.gz HKALCONKCSKFIY-OLZOCXBDSA-N 1 3 226.364 1.269 10 0 BDAEHO C[C@H](CN1CCS[C@H](C)[C@H]1C)C(N)=[NH2+] ZINC000253080387 368472787 /nfs/dbraw/zinc/47/27/87/368472787.db2.gz VKMLZBJAIIZLSM-IWSPIJDZSA-N 1 3 215.366 1.384 10 0 BDAEHO C[C@@H]1CN(C[C@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000631837767 369101738 /nfs/dbraw/zinc/10/17/38/369101738.db2.gz WRMIZCRVWIEOLT-GRYCIOLGSA-N 1 3 212.337 1.082 10 0 BDAEHO C[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1CN ZINC000631837767 369101741 /nfs/dbraw/zinc/10/17/41/369101741.db2.gz WRMIZCRVWIEOLT-GRYCIOLGSA-N 1 3 212.337 1.082 10 0 BDAEHO C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1CN ZINC000631837767 369101747 /nfs/dbraw/zinc/10/17/47/369101747.db2.gz WRMIZCRVWIEOLT-GRYCIOLGSA-N 1 3 212.337 1.082 10 0 BDAEHO OC1C[C@H]2CC[C@@H](C1)N2CCC[NH+]1CCCC1 ZINC000111393735 183030404 /nfs/dbraw/zinc/03/04/04/183030404.db2.gz KSMRUNUPRHCKHC-PBWFPOADSA-N 1 3 238.375 1.460 10 0 BDAEHO O[C@@H](CN[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128944306 183181112 /nfs/dbraw/zinc/18/11/12/183181112.db2.gz OFOYHEZLQGIHIM-KBPBESRZSA-N 1 3 234.343 1.452 10 0 BDAEHO O[C@H]1CCCCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000062072616 183231753 /nfs/dbraw/zinc/23/17/53/183231753.db2.gz SIGRSFDPSFXMQV-KGLIPLIRSA-N 1 3 240.391 1.756 10 0 BDAEHO CCCN1CCC(CN)([N@@H+]2CCC[C@@H]2C)CC1 ZINC000037910389 169186142 /nfs/dbraw/zinc/18/61/42/169186142.db2.gz PTICMQLPBWNGDV-ZDUSSCGKSA-N 1 3 239.407 1.674 10 0 BDAEHO CCCN1CCC(CN)([N@H+]2CCC[C@@H]2C)CC1 ZINC000037910389 169186144 /nfs/dbraw/zinc/18/61/44/169186144.db2.gz PTICMQLPBWNGDV-ZDUSSCGKSA-N 1 3 239.407 1.674 10 0 BDAEHO CCCN1CCN(C[C@@]2(CC)CC[NH2+]C2)CC1 ZINC000062910951 169202755 /nfs/dbraw/zinc/20/27/55/169202755.db2.gz VMNFFISAHVGMTQ-AWEZNQCLSA-N 1 3 239.407 1.404 10 0 BDAEHO CCCN1CCN([C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000037157881 169205804 /nfs/dbraw/zinc/20/58/04/169205804.db2.gz HLDHSCJGRDNIPD-STQMWFEESA-N 1 3 225.380 1.141 10 0 BDAEHO CCC[NH2+]CC[C@H](C)N1CCN(CCC)CC1 ZINC000052422113 169261491 /nfs/dbraw/zinc/26/14/91/169261491.db2.gz QTRVYGXDHHNYGT-AWEZNQCLSA-N 1 3 241.423 1.792 10 0 BDAEHO CCC[NH2+][C@@H]1CCCC[C@H]1CN(CC)CCO ZINC000053858512 169282473 /nfs/dbraw/zinc/28/24/73/169282473.db2.gz ZBQPPKUBDOXSCS-UONOGXRCSA-N 1 3 242.407 1.859 10 0 BDAEHO CCC[C@@H](C)[NH2+]CCN1CCN(C)[C@H](CC)C1 ZINC000104137454 169369686 /nfs/dbraw/zinc/36/96/86/169369686.db2.gz WVAZXTUYFXVZFY-ZIAGYGMSSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[C@@H](N)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029513 169389711 /nfs/dbraw/zinc/38/97/11/169389711.db2.gz LWUDOHZSLRQLON-NWDGAFQWSA-N 1 3 241.379 1.104 10 0 BDAEHO C[NH+](C)CCn1cccc1[C@H](N)c1ccncc1 ZINC000011848790 384620826 /nfs/dbraw/zinc/62/08/26/384620826.db2.gz AWEQSZVYSOTVMW-CQSZACIVSA-N 1 3 244.342 1.493 10 0 BDAEHO NC[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000044528081 385308526 /nfs/dbraw/zinc/30/85/26/385308526.db2.gz AUSQBAHHDALNEV-SNVBAGLBSA-N 1 3 214.378 1.553 10 0 BDAEHO NC[C@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000044528081 385308531 /nfs/dbraw/zinc/30/85/31/385308531.db2.gz AUSQBAHHDALNEV-SNVBAGLBSA-N 1 3 214.378 1.553 10 0 BDAEHO [NH3+]C[C@H]1CCCN(C2CCSCC2)C1 ZINC000044528081 385308535 /nfs/dbraw/zinc/30/85/35/385308535.db2.gz AUSQBAHHDALNEV-SNVBAGLBSA-N 1 3 214.378 1.553 10 0 BDAEHO CC(C)(C)N1CCOC2(C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000409429217 385328686 /nfs/dbraw/zinc/32/86/86/385328686.db2.gz FOPOFNRLKGSPKE-ONXXMXGDSA-N 1 3 238.375 1.770 10 0 BDAEHO CC[C@H]([NH2+]CCOCCN(C)C)C(C)(C)C ZINC000336681751 385636840 /nfs/dbraw/zinc/63/68/40/385636840.db2.gz DARVLRSGWONNOR-LBPRGKRZSA-N 1 3 230.396 1.979 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)[C@H]1CCCNC1 ZINC000647803747 385839353 /nfs/dbraw/zinc/83/93/53/385839353.db2.gz AMHLRWRHEPPBDX-FIQHERPVSA-N 1 3 228.405 1.858 10 0 BDAEHO C([NH2+]C1CCNCC1)C1(C2CC2)CCC1 ZINC000391469998 386330804 /nfs/dbraw/zinc/33/08/04/386330804.db2.gz KYVGIIYLUKOWIH-UHFFFAOYSA-N 1 3 208.349 1.908 10 0 BDAEHO CCOCCCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000519540009 386485802 /nfs/dbraw/zinc/48/58/02/386485802.db2.gz UGLBNNVTULRRHX-STQMWFEESA-N 1 3 228.380 1.781 10 0 BDAEHO COCC[C@H](COC)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000519767281 386552918 /nfs/dbraw/zinc/55/29/18/386552918.db2.gz YKIJJXBEVXQYLO-JHJVBQTASA-N 1 3 244.379 1.016 10 0 BDAEHO COCC[C@H](COC)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000519767281 386552923 /nfs/dbraw/zinc/55/29/23/386552923.db2.gz YKIJJXBEVXQYLO-JHJVBQTASA-N 1 3 244.379 1.016 10 0 BDAEHO [NH3+]CCCC[C@H]([NH3+])c1ccc([O-])cc1F ZINC000575439360 387123594 /nfs/dbraw/zinc/12/35/94/387123594.db2.gz SNOGVSXGFUWIIB-NSHDSACASA-N 1 3 212.268 1.660 10 0 BDAEHO CSC[C@H](C)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400435432 387286045 /nfs/dbraw/zinc/28/60/45/387286045.db2.gz MPIYDFQOJMXQKF-LPEHRKFASA-N 1 3 202.367 1.326 10 0 BDAEHO CC(C)C[C@H](CN(C)C)N[C@H](C)C1C[NH2+]C1 ZINC000422717114 387631271 /nfs/dbraw/zinc/63/12/71/387631271.db2.gz OGIVESAQWRURFA-DGCLKSJQSA-N 1 3 227.396 1.160 10 0 BDAEHO C[C@@H]([NH2+]CCCOCC1CC1)[C@H]1CCCNC1 ZINC000643457830 387817882 /nfs/dbraw/zinc/81/78/82/387817882.db2.gz XIGDTEZCFZASLY-OCCSQVGLSA-N 1 3 240.391 1.781 10 0 BDAEHO CCC[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)OC ZINC000643491491 387892406 /nfs/dbraw/zinc/89/24/06/387892406.db2.gz NBIZAHYWVGJOTL-YNEHKIRRSA-N 1 3 228.380 1.779 10 0 BDAEHO CN(Cc1ccccc1)[C@@H]1CC[C@H]([NH3+])C1 ZINC000071509208 388096357 /nfs/dbraw/zinc/09/63/57/388096357.db2.gz SUEVMBMZZZPHAP-QWHCGFSZSA-N 1 3 204.317 1.998 10 0 BDAEHO CC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N ZINC000059394565 388395630 /nfs/dbraw/zinc/39/56/30/388395630.db2.gz YAXQFMWHBFCHMM-STQMWFEESA-N 1 3 204.317 1.856 10 0 BDAEHO CC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N ZINC000059394565 388395632 /nfs/dbraw/zinc/39/56/32/388395632.db2.gz YAXQFMWHBFCHMM-STQMWFEESA-N 1 3 204.317 1.856 10 0 BDAEHO COC[C@H](C(C)C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000393813506 388443107 /nfs/dbraw/zinc/44/31/07/388443107.db2.gz DBPQGUXXKTYDDE-JHJVBQTASA-N 1 3 228.380 1.574 10 0 BDAEHO COC[C@H](C(C)C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000393813506 388443108 /nfs/dbraw/zinc/44/31/08/388443108.db2.gz DBPQGUXXKTYDDE-JHJVBQTASA-N 1 3 228.380 1.574 10 0 BDAEHO C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)CN(C)C ZINC000336720615 388467693 /nfs/dbraw/zinc/46/76/93/388467693.db2.gz SFPHKMCQZDSLDO-FDYHWXHSSA-N 1 3 240.391 1.587 10 0 BDAEHO CCCCOCCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000573082343 388419001 /nfs/dbraw/zinc/41/90/01/388419001.db2.gz RUMHNZWUZDGMAN-CHWSQXEVSA-N 1 3 228.380 1.781 10 0 BDAEHO CCCCOCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000573082343 388419002 /nfs/dbraw/zinc/41/90/02/388419002.db2.gz RUMHNZWUZDGMAN-CHWSQXEVSA-N 1 3 228.380 1.781 10 0 BDAEHO CC[C@H](CCO)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000517024008 388533398 /nfs/dbraw/zinc/53/33/98/388533398.db2.gz NFKPRWYLBIBPCO-JHJVBQTASA-N 1 3 228.380 1.373 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1CCNCC1 ZINC000530224982 388635871 /nfs/dbraw/zinc/63/58/71/388635871.db2.gz NLWALHJBXXIWFU-KLBPJQLPSA-N 1 3 212.337 1.140 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC1CC[NH2+]CC1 ZINC000530224982 388635874 /nfs/dbraw/zinc/63/58/74/388635874.db2.gz NLWALHJBXXIWFU-KLBPJQLPSA-N 1 3 212.337 1.140 10 0 BDAEHO CSCCCC[NH2+][C@H]1CCCNCC1 ZINC000229211510 388782891 /nfs/dbraw/zinc/78/28/91/388782891.db2.gz ZDENUMHARONSCV-NSHDSACASA-N 1 3 216.394 1.861 10 0 BDAEHO CC(C)OCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000566056410 388985846 /nfs/dbraw/zinc/98/58/46/388985846.db2.gz ZNSUORGABOVFSM-QWHCGFSZSA-N 1 3 228.380 1.779 10 0 BDAEHO C[C@@H](NCC1(O)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400575617 533362313 /nfs/dbraw/zinc/36/23/13/533362313.db2.gz OUOBHBPGVQBXOK-NEPJUHHUSA-N 1 3 226.364 1.269 10 0 BDAEHO C(C[NH2+][C@H]1CCCNCC1)COCC1CC1 ZINC000168711911 533366626 /nfs/dbraw/zinc/36/66/26/533366626.db2.gz VCMOAYLWMCZOFK-ZDUSSCGKSA-N 1 3 226.364 1.535 10 0 BDAEHO C[C@@H](NCCOC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400515080 533398481 /nfs/dbraw/zinc/39/84/81/533398481.db2.gz KGTBDKLFZVKRSR-NEPJUHHUSA-N 1 3 226.364 1.533 10 0 BDAEHO CSCCCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400446250 533572886 /nfs/dbraw/zinc/57/28/86/533572886.db2.gz POZRCNJARQLBKX-ZJUUUORDSA-N 1 3 202.367 1.327 10 0 BDAEHO C[C@@H]1NC(=N)NC(=[NH2+])N1c1ccc(Cl)cc1 ZINC000002034279 132308650 /nfs/dbraw/zinc/30/86/50/132308650.db2.gz WHWDLTBBQLJYCJ-ZCFIWIBFSA-N 1 3 237.694 1.135 10 0 BDAEHO C[NH2+]CCCCN1CCN(c2ccccn2)CC1 ZINC000037611540 132344992 /nfs/dbraw/zinc/34/49/92/132344992.db2.gz KWZKYRVFOKAFAZ-UHFFFAOYSA-N 1 3 248.374 1.203 10 0 BDAEHO CN1CCC[C@H]2C[N@@H+](C3CCC3)CC[C@@H]21 ZINC000179586628 134321840 /nfs/dbraw/zinc/32/18/40/134321840.db2.gz DAHQLXBLVVDNQD-AAEUAGOBSA-N 1 3 208.349 1.955 10 0 BDAEHO CN1CCC[C@H]2C[N@H+](C3CCC3)CC[C@@H]21 ZINC000179586628 134321841 /nfs/dbraw/zinc/32/18/41/134321841.db2.gz DAHQLXBLVVDNQD-AAEUAGOBSA-N 1 3 208.349 1.955 10 0 BDAEHO CCC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000183870918 134356861 /nfs/dbraw/zinc/35/68/61/134356861.db2.gz ZFTHNAAVHMWNDL-WVMKXHBISA-N 1 3 226.364 1.362 10 0 BDAEHO CCC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183870918 134356862 /nfs/dbraw/zinc/35/68/62/134356862.db2.gz ZFTHNAAVHMWNDL-WVMKXHBISA-N 1 3 226.364 1.362 10 0 BDAEHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCO ZINC000086500703 135087428 /nfs/dbraw/zinc/08/74/28/135087428.db2.gz QBIBFCGVAPHWCB-VXGBXAGGSA-N 1 3 214.353 1.269 10 0 BDAEHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000261582400 135223587 /nfs/dbraw/zinc/22/35/87/135223587.db2.gz RDQUMQPTINBFQJ-CIUDSAMLSA-N 1 3 248.330 1.243 10 0 BDAEHO CC1(C)C[N@H+](CC[C@@H]2CCCO2)CC[C@H]1N ZINC000261590926 135231377 /nfs/dbraw/zinc/23/13/77/135231377.db2.gz UVZHJOORZWTQGQ-NWDGAFQWSA-N 1 3 226.364 1.615 10 0 BDAEHO CC1(C)C[N@@H+](CC[C@@H]2CCCO2)CC[C@H]1N ZINC000261590926 135231379 /nfs/dbraw/zinc/23/13/79/135231379.db2.gz UVZHJOORZWTQGQ-NWDGAFQWSA-N 1 3 226.364 1.615 10 0 BDAEHO CCC1(C)CCC(NC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000262133925 135280599 /nfs/dbraw/zinc/28/05/99/135280599.db2.gz OJKYZMWDFBABTP-RJZJGCCBSA-N 1 3 240.391 1.515 10 0 BDAEHO CCC1(C)CCC([NH2+]C[C@@H]2CNC[C@H]2O)CC1 ZINC000262133925 135280600 /nfs/dbraw/zinc/28/06/00/135280600.db2.gz OJKYZMWDFBABTP-RJZJGCCBSA-N 1 3 240.391 1.515 10 0 BDAEHO CCC1CCC(NC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263142403 135335338 /nfs/dbraw/zinc/33/53/38/135335338.db2.gz CLLOFFVUQYQCCC-POOIEITISA-N 1 3 226.364 1.125 10 0 BDAEHO CCC1CCC([NH2+]C[C@H]2CNC[C@H]2O)CC1 ZINC000263142403 135335339 /nfs/dbraw/zinc/33/53/39/135335339.db2.gz CLLOFFVUQYQCCC-POOIEITISA-N 1 3 226.364 1.125 10 0 BDAEHO CC(C)C1CCC(NC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263315535 135345844 /nfs/dbraw/zinc/34/58/44/135345844.db2.gz ZKGRMLJQJPBJRM-YIOUJQMASA-N 1 3 240.391 1.371 10 0 BDAEHO CC(C)C1CCC([NH2+]C[C@@H]2CNC[C@@H]2O)CC1 ZINC000263315535 135345846 /nfs/dbraw/zinc/34/58/46/135345846.db2.gz ZKGRMLJQJPBJRM-YIOUJQMASA-N 1 3 240.391 1.371 10 0 BDAEHO C(C1CCOCC1)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC000299892949 135380861 /nfs/dbraw/zinc/38/08/61/135380861.db2.gz FYQDJCQDTVUZDS-OLZOCXBDSA-N 1 3 224.348 1.097 10 0 BDAEHO C(C1CCOCC1)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC000299892949 135380863 /nfs/dbraw/zinc/38/08/63/135380863.db2.gz FYQDJCQDTVUZDS-OLZOCXBDSA-N 1 3 224.348 1.097 10 0 BDAEHO CC(C)OCCN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000049260921 167237426 /nfs/dbraw/zinc/23/74/26/167237426.db2.gz STIGJBASBIYDDB-YOGCLGLASA-N 1 3 212.337 1.366 10 0 BDAEHO CC(C)C[NH2+]C[C@@]1(CN2CCCC2)CCOC1 ZINC000051208181 167006105 /nfs/dbraw/zinc/00/61/05/167006105.db2.gz UGANRJIBRWTFFN-CQSZACIVSA-N 1 3 240.391 1.735 10 0 BDAEHO CC(C)C[NH2+]C[C@]1(CN2CCCC2)CCOC1 ZINC000051208178 167008321 /nfs/dbraw/zinc/00/83/21/167008321.db2.gz UGANRJIBRWTFFN-AWEZNQCLSA-N 1 3 240.391 1.735 10 0 BDAEHO CC(C)NC[C@H](O)C[NH+]1CCCCCC1 ZINC000001847086 167114899 /nfs/dbraw/zinc/11/48/99/167114899.db2.gz FWNWRFZEXUTZTD-LBPRGKRZSA-N 1 3 214.353 1.221 10 0 BDAEHO CC(C)[NH2+]C[C@H]1CCN(C2CCOCC2)C1 ZINC000053031289 167115642 /nfs/dbraw/zinc/11/56/42/167115642.db2.gz VVNKFLMUDSXMJP-GFCCVEGCSA-N 1 3 226.364 1.485 10 0 BDAEHO C[C@H](CNC[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656781975 411358945 /nfs/dbraw/zinc/35/89/45/411358945.db2.gz BKQKIJRHCFRMMZ-OLZOCXBDSA-N 1 3 233.359 1.774 10 0 BDAEHO C[C@H](C[NH2+]C[C@H]1CCCNC1)c1ccccn1 ZINC000656781975 411358950 /nfs/dbraw/zinc/35/89/50/411358950.db2.gz BKQKIJRHCFRMMZ-OLZOCXBDSA-N 1 3 233.359 1.774 10 0 BDAEHO CC1CC[NH+](C2(CN)CCN(C)CC2)CC1 ZINC000019486298 168177361 /nfs/dbraw/zinc/17/73/61/168177361.db2.gz ZZZBJRDCRUQJHD-UHFFFAOYSA-N 1 3 225.380 1.141 10 0 BDAEHO CC[N@@H+]1CC[C@H](CNC2=N[C@H](C)CS2)C1 ZINC000037484501 170015294 /nfs/dbraw/zinc/01/52/94/170015294.db2.gz FUTCQKGCFCKXMF-NXEZZACHSA-N 1 3 227.377 1.409 10 0 BDAEHO CC[N@H+]1CC[C@H](CNC2=N[C@H](C)CS2)C1 ZINC000037484501 170015295 /nfs/dbraw/zinc/01/52/95/170015295.db2.gz FUTCQKGCFCKXMF-NXEZZACHSA-N 1 3 227.377 1.409 10 0 BDAEHO CC[NH2+]C1CCN([C@@H]2CN3CCC2CC3)CC1 ZINC000037241471 170110004 /nfs/dbraw/zinc/11/00/04/170110004.db2.gz WVCXKOHPWHPFLP-CQSZACIVSA-N 1 3 237.391 1.155 10 0 BDAEHO CC[NH2+][C@H](C)CN1CCN(CC)[C@H](C)C1 ZINC000082477901 170157100 /nfs/dbraw/zinc/15/71/00/170157100.db2.gz AXPHKWIYYRJFMB-VXGBXAGGSA-N 1 3 213.369 1.010 10 0 BDAEHO CC[NH2+][C@H](C)[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055079199 170158250 /nfs/dbraw/zinc/15/82/50/170158250.db2.gz HQBDNAVHWCVYEK-KGLIPLIRSA-N 1 3 241.423 1.647 10 0 BDAEHO CCOC1CC[NH+](CCCNCCOC)CC1 ZINC000053499409 170331994 /nfs/dbraw/zinc/33/19/94/170331994.db2.gz YKUDGZFWMVHKEA-UHFFFAOYSA-N 1 3 244.379 1.113 10 0 BDAEHO CCOC1CC[NH+]([C@@H]2CCCC[C@H]2N)CC1 ZINC000040689240 170333065 /nfs/dbraw/zinc/33/30/65/170333065.db2.gz UKUHNCRJEZHEGZ-CHWSQXEVSA-N 1 3 226.364 1.757 10 0 BDAEHO CC[C@@H]1CC[C@H](CN)[C@H]([NH+]2CCC(O)CC2)C1 ZINC000037157698 171056122 /nfs/dbraw/zinc/05/61/22/171056122.db2.gz GISKKBNYFPPSNG-YRGRVCCFSA-N 1 3 240.391 1.597 10 0 BDAEHO CC[C@@H]1CC[C@H](C[NH3+])[C@H](N2CCC(O)CC2)C1 ZINC000037157698 171056124 /nfs/dbraw/zinc/05/61/24/171056124.db2.gz GISKKBNYFPPSNG-YRGRVCCFSA-N 1 3 240.391 1.597 10 0 BDAEHO CC[C@@]1(C[NH2+]CC[C@H]2CCCO2)CCCNC1 ZINC000062862896 171210330 /nfs/dbraw/zinc/21/03/30/171210330.db2.gz ZMWWEUIPXGMLMS-ZIAGYGMSSA-N 1 3 240.391 1.925 10 0 BDAEHO CC[C@H](C)[N@H+](CCOC)C[C@H](O)CNC(C)C ZINC000042580666 171315813 /nfs/dbraw/zinc/31/58/13/171315813.db2.gz JMPIVJIYDQFOLX-QWHCGFSZSA-N 1 3 246.395 1.092 10 0 BDAEHO CC[C@H](C)[N@@H+](CCOC)C[C@H](O)CNC(C)C ZINC000042580666 171315814 /nfs/dbraw/zinc/31/58/14/171315814.db2.gz JMPIVJIYDQFOLX-QWHCGFSZSA-N 1 3 246.395 1.092 10 0 BDAEHO CC[C@H](C)N1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC000055066948 171318345 /nfs/dbraw/zinc/31/83/45/171318345.db2.gz OLOXTGROEGPVGC-QWHCGFSZSA-N 1 3 225.380 1.155 10 0 BDAEHO CC[C@H](C)N1CCN(CC[C@@H]2CCC[NH2+]2)CC1 ZINC000055083416 171318836 /nfs/dbraw/zinc/31/88/36/171318836.db2.gz QRVYFEDJKMTHHB-KBPBESRZSA-N 1 3 239.407 1.545 10 0 BDAEHO CC[C@H](C)NC1(C(=O)OC)CCN(CC)CC1 ZINC000038067081 171339502 /nfs/dbraw/zinc/33/95/02/171339502.db2.gz RRJZKFNHORHYGT-NSHDSACASA-N 1 3 242.363 1.402 10 0 BDAEHO CC[C@H](C)[C@@H](C[NH2+]C1CCNCC1)OC ZINC000362977656 171368858 /nfs/dbraw/zinc/36/88/58/171368858.db2.gz SPSPJJPENRXGLV-CMPLNLGQSA-N 1 3 214.353 1.389 10 0 BDAEHO CC[C@H](C)[C@@H](CNC1CC[NH2+]CC1)OC ZINC000362977656 171368856 /nfs/dbraw/zinc/36/88/56/171368856.db2.gz SPSPJJPENRXGLV-CMPLNLGQSA-N 1 3 214.353 1.389 10 0 BDAEHO CC[C@H](C[NH2+]C(C)C)N1CCC[C@@H]1CN(C)C ZINC000061654701 171436357 /nfs/dbraw/zinc/43/63/57/171436357.db2.gz YASCTMSBPMBAAJ-ZIAGYGMSSA-N 1 3 241.423 1.789 10 0 BDAEHO C[C@H](NCCC(C)(C)F)[C@@H]1CC[NH2+]C1 ZINC000665261644 412204197 /nfs/dbraw/zinc/20/41/97/412204197.db2.gz IQLJVCJRLGYJAF-VHSXEESVSA-N 1 3 202.317 1.712 10 0 BDAEHO C[C@@H]1CCC[C@H](CN[C@H]2CCC[NH2+]CC2)O1 ZINC000665264547 412207422 /nfs/dbraw/zinc/20/74/22/412207422.db2.gz BJYPFZMFWYWVCK-FRRDWIJNSA-N 1 3 226.364 1.676 10 0 BDAEHO C[C@]1(CN[C@H]2CCC[NH2+]CC2)CC1(F)F ZINC000665265010 412209290 /nfs/dbraw/zinc/20/92/90/412209290.db2.gz NTZTWAUQVOVTJO-VHSXEESVSA-N 1 3 218.291 1.763 10 0 BDAEHO C[C@]1(C[NH2+][C@H]2CCCNCC2)CC1(F)F ZINC000665265010 412209293 /nfs/dbraw/zinc/20/92/93/412209293.db2.gz NTZTWAUQVOVTJO-VHSXEESVSA-N 1 3 218.291 1.763 10 0 BDAEHO CO[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000665276129 412219034 /nfs/dbraw/zinc/21/90/34/412219034.db2.gz YWAXWVCVNILZBX-KWCYVHTRSA-N 1 3 240.391 1.779 10 0 BDAEHO CN(C)C(C)(C)C[NH2+]CC[C@@H]1CCCCN1C ZINC000049856308 173008051 /nfs/dbraw/zinc/00/80/51/173008051.db2.gz PXJDLSCONJYKLF-ZDUSSCGKSA-N 1 3 241.423 1.791 10 0 BDAEHO CN1CCC[N@@H+]([C@@H](CN)C2CCCC2)CC1 ZINC000050272103 173016088 /nfs/dbraw/zinc/01/60/88/173016088.db2.gz KTGOCBAVTIESJS-ZDUSSCGKSA-N 1 3 225.380 1.141 10 0 BDAEHO CN1CCC[N@H+]([C@@H](CN)C2CCCC2)CC1 ZINC000050272103 173016089 /nfs/dbraw/zinc/01/60/89/173016089.db2.gz KTGOCBAVTIESJS-ZDUSSCGKSA-N 1 3 225.380 1.141 10 0 BDAEHO CN1CCCN(Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000020217632 173017379 /nfs/dbraw/zinc/01/73/79/173017379.db2.gz DRNUFLYOVAMVER-UHFFFAOYSA-N 1 3 246.358 1.108 10 0 BDAEHO CN1CCCN([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000020217673 173017934 /nfs/dbraw/zinc/01/79/34/173017934.db2.gz BACGPDSAJYHYOU-LBPRGKRZSA-N 1 3 239.388 1.385 10 0 BDAEHO CN(CC[C@@H]1CCC[NH2+]1)[C@H]1CCCN(C)C1 ZINC000053247497 173044780 /nfs/dbraw/zinc/04/47/80/173044780.db2.gz JFFBTIYMEFGAPY-STQMWFEESA-N 1 3 225.380 1.155 10 0 BDAEHO CN1CC[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000037484723 173115458 /nfs/dbraw/zinc/11/54/58/173115458.db2.gz QELQSIPAXRMILR-LBPRGKRZSA-N 1 3 220.316 1.434 10 0 BDAEHO C[NH2+]C(C)(C)CN(C)[C@@H]1CCCN(C)C1 ZINC000061319842 173319106 /nfs/dbraw/zinc/31/91/06/173319106.db2.gz QEXKKAXWMQZEOV-LLVKDONJSA-N 1 3 213.369 1.010 10 0 BDAEHO C[NH2+]C(C)(C)CN1CCN(C(C)C)CC1 ZINC000061319608 173319597 /nfs/dbraw/zinc/31/95/97/173319597.db2.gz FRHIMHXQVZAXJN-UHFFFAOYSA-N 1 3 213.369 1.010 10 0 BDAEHO C[NH2+]CC[C@@H](C)N1CCCSCC1 ZINC000052371051 173357374 /nfs/dbraw/zinc/35/73/74/173357374.db2.gz KUYZSONRUFZQGB-SNVBAGLBSA-N 1 3 202.367 1.423 10 0 BDAEHO CNCC[C@@H](C)[N@@H+]1CCCSCC1 ZINC000052371051 173357375 /nfs/dbraw/zinc/35/73/75/173357375.db2.gz KUYZSONRUFZQGB-SNVBAGLBSA-N 1 3 202.367 1.423 10 0 BDAEHO CNCC[C@@H](C)[N@H+]1CCCSCC1 ZINC000052371051 173357376 /nfs/dbraw/zinc/35/73/76/173357376.db2.gz KUYZSONRUFZQGB-SNVBAGLBSA-N 1 3 202.367 1.423 10 0 BDAEHO C[NH2+]CCc1csc(CCN(C)C)n1 ZINC000076812362 173360239 /nfs/dbraw/zinc/36/02/39/173360239.db2.gz UPPPGZQHTGHXPP-UHFFFAOYSA-N 1 3 213.350 1.009 10 0 BDAEHO C[NH2+]C[C@@H]1CCCN([C@@H]2CCCSC2)C1 ZINC000061590669 173367631 /nfs/dbraw/zinc/36/76/31/173367631.db2.gz XGNXFVYCFJJRRS-NWDGAFQWSA-N 1 3 228.405 1.813 10 0 BDAEHO CNC[C@]1(C[N@H+](C)CC2CCCC2)CCOC1 ZINC000104367591 173384332 /nfs/dbraw/zinc/38/43/32/173384332.db2.gz PPHQPNPXXLADKS-AWEZNQCLSA-N 1 3 240.391 1.735 10 0 BDAEHO CNC[C@]1(C[N@@H+](C)CC2CCCC2)CCOC1 ZINC000104367591 173384333 /nfs/dbraw/zinc/38/43/33/173384333.db2.gz PPHQPNPXXLADKS-AWEZNQCLSA-N 1 3 240.391 1.735 10 0 BDAEHO C[NH2+]C[C@]1(CN(C)CC2CCCC2)CCOC1 ZINC000104367591 173384334 /nfs/dbraw/zinc/38/43/34/173384334.db2.gz PPHQPNPXXLADKS-AWEZNQCLSA-N 1 3 240.391 1.735 10 0 BDAEHO C[NH2+]Cc1cc(CN(C)C)ccc1OC ZINC000016942216 173387440 /nfs/dbraw/zinc/38/74/40/173387440.db2.gz ZXZSJRHNGYCIFT-UHFFFAOYSA-N 1 3 208.305 1.476 10 0 BDAEHO COC1CCN(C[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053866139 174028062 /nfs/dbraw/zinc/02/80/62/174028062.db2.gz ASXHVSKJBQEIPT-JQWIXIFHSA-N 1 3 212.337 1.225 10 0 BDAEHO COC1CCN(C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000053858053 174028737 /nfs/dbraw/zinc/02/87/37/174028737.db2.gz VGTQVAWQOUOVBY-YPMHNXCESA-N 1 3 226.364 1.615 10 0 BDAEHO COC1CC[NH+]([C@@H]2CCCC[C@@H]2CN)CC1 ZINC000037265715 174030656 /nfs/dbraw/zinc/03/06/56/174030656.db2.gz RJRVJLOHYBBLAW-DGCLKSJQSA-N 1 3 226.364 1.615 10 0 BDAEHO COCCC[N@H+](CCOC)[C@H]1CCCC[C@@H]1N ZINC000042421833 174226110 /nfs/dbraw/zinc/22/61/10/174226110.db2.gz CYOMIXWCNCCQDN-STQMWFEESA-N 1 3 244.379 1.241 10 0 BDAEHO COCCC[N@@H+](CCOC)[C@H]1CCCC[C@@H]1N ZINC000042421833 174226111 /nfs/dbraw/zinc/22/61/11/174226111.db2.gz CYOMIXWCNCCQDN-STQMWFEESA-N 1 3 244.379 1.241 10 0 BDAEHO COCCC[N@H+](CCOC)[C@H]1CCC[C@@H]1CN ZINC000042408710 174227120 /nfs/dbraw/zinc/22/71/20/174227120.db2.gz DJRVSYGEUDBDEP-OLZOCXBDSA-N 1 3 244.379 1.099 10 0 BDAEHO COCCC[N@@H+](CCOC)[C@H]1CCC[C@@H]1CN ZINC000042408710 174227124 /nfs/dbraw/zinc/22/71/24/174227124.db2.gz DJRVSYGEUDBDEP-OLZOCXBDSA-N 1 3 244.379 1.099 10 0 BDAEHO COCC[N@H+](C)[C@H]1CCCCC[C@@H]1N ZINC000048924460 174283787 /nfs/dbraw/zinc/28/37/87/174283787.db2.gz OLMYVWJIYSUOLN-QWRGUYRKSA-N 1 3 200.326 1.225 10 0 BDAEHO COCC[N@@H+](C)[C@H]1CCCCC[C@@H]1N ZINC000048924460 174283788 /nfs/dbraw/zinc/28/37/88/174283788.db2.gz OLMYVWJIYSUOLN-QWRGUYRKSA-N 1 3 200.326 1.225 10 0 BDAEHO COc1ccc(CN(C)C[C@H](C)C[NH3+])cc1 ZINC000042441458 175095295 /nfs/dbraw/zinc/09/52/95/175095295.db2.gz FIXAPPGPLDARJJ-LLVKDONJSA-N 1 3 222.332 1.722 10 0 BDAEHO C[C@@H](c1cnn(C)c1)N(C)CC1CC[NH2+]CC1 ZINC000094010902 176036584 /nfs/dbraw/zinc/03/65/84/176036584.db2.gz LUJHHKVZWBGCPV-NSHDSACASA-N 1 3 236.363 1.413 10 0 BDAEHO C[C@@H]1CCCCN1CCC[N@@H+]1CC[C@H](CO)C1 ZINC000049474383 176070361 /nfs/dbraw/zinc/07/03/61/176070361.db2.gz USNLPSRFNIQQTD-KGLIPLIRSA-N 1 3 240.391 1.565 10 0 BDAEHO C[C@@H]1CCCCN1CCC[N@H+]1CC[C@H](CO)C1 ZINC000049474383 176070363 /nfs/dbraw/zinc/07/03/63/176070363.db2.gz USNLPSRFNIQQTD-KGLIPLIRSA-N 1 3 240.391 1.565 10 0 BDAEHO C[C@@H]1CN(C2(C[NH3+])CCCC2)CCCO1 ZINC000061916233 176280884 /nfs/dbraw/zinc/28/08/84/176280884.db2.gz ZZMCEFKWJBEAAZ-LLVKDONJSA-N 1 3 212.337 1.369 10 0 BDAEHO C[C@@H]1CN(C[C@@H](C[NH3+])c2ccccc2)CCN1C ZINC000070942703 176296333 /nfs/dbraw/zinc/29/63/33/176296333.db2.gz SODBZJJJCKKAED-UKRRQHHQSA-N 1 3 247.386 1.365 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@@H](C)CN(CCc2ccncc2)C1 ZINC000049666822 176329129 /nfs/dbraw/zinc/32/91/29/176329129.db2.gz NMYNZILLPNQADY-ZIAGYGMSSA-N 1 3 247.386 1.802 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@@H](C)CN(CCc2cccnc2)C1 ZINC000049666874 176329489 /nfs/dbraw/zinc/32/94/89/176329489.db2.gz FQRSGEUEXURTQU-ZIAGYGMSSA-N 1 3 247.386 1.802 10 0 BDAEHO C[C@H](CN1CCCCC1)NC1=[NH+][C@H](C)CS1 ZINC000049502358 176349238 /nfs/dbraw/zinc/34/92/38/176349238.db2.gz ZNOLHQBULNBZNM-GHMZBOCLSA-N 1 3 241.404 1.942 10 0 BDAEHO C[C@H]1CCC[C@H]([N@H+](C)CCNCCN(C)C)C1 ZINC000053426674 177133929 /nfs/dbraw/zinc/13/39/29/177133929.db2.gz MLRURICTDAQGJO-KBPBESRZSA-N 1 3 241.423 1.648 10 0 BDAEHO C[C@H]1CCC[C@H]([N@@H+](C)CCNCCN(C)C)C1 ZINC000053426674 177133930 /nfs/dbraw/zinc/13/39/30/177133930.db2.gz MLRURICTDAQGJO-KBPBESRZSA-N 1 3 241.423 1.648 10 0 BDAEHO C[C@H]1CN(Cc2ccc(C(N)=[NH2+])cc2)CCCO1 ZINC000061918971 177261830 /nfs/dbraw/zinc/26/18/30/177261830.db2.gz OGVGMAMGBUXIAV-NSHDSACASA-N 1 3 247.342 1.581 10 0 BDAEHO C[C@H]1C[NH2+]CCCN(C[C@@H]2CCCCO2)C1 ZINC000044417634 177282045 /nfs/dbraw/zinc/28/20/45/177282045.db2.gz NPGPMCPECQAQMA-STQMWFEESA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@@H]1CNC[C@H](C)C[N@H+](C2CCOCC2)C1 ZINC000049666384 177284602 /nfs/dbraw/zinc/28/46/02/177284602.db2.gz ZWNYYZRTWATFJM-TXEJJXNPSA-N 1 3 226.364 1.343 10 0 BDAEHO C[C@@H]1CNC[C@H](C)C[N@@H+](C2CCOCC2)C1 ZINC000049666384 177284603 /nfs/dbraw/zinc/28/46/03/177284603.db2.gz ZWNYYZRTWATFJM-TXEJJXNPSA-N 1 3 226.364 1.343 10 0 BDAEHO C[C@H]1CNC[C@H](C)C[NH+](C2CCOCC2)C1 ZINC000049666385 177286086 /nfs/dbraw/zinc/28/60/86/177286086.db2.gz ZWNYYZRTWATFJM-RYUDHWBXSA-N 1 3 226.364 1.343 10 0 BDAEHO C[C@H](NCCN1CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400332306 226340823 /nfs/dbraw/zinc/34/08/23/226340823.db2.gz GFTVYJAQLKTSMP-UONOGXRCSA-N 1 3 239.407 1.450 10 0 BDAEHO C[C@H](N[C@@H]1CC12CCCC2)[C@H]1CC[NH2+]C1 ZINC000400334373 226341048 /nfs/dbraw/zinc/34/10/48/226341048.db2.gz FQOAJWVWBPRZBP-SDDRHHMPSA-N 1 3 208.349 1.907 10 0 BDAEHO C[C@@H](NCCc1cccc(F)c1)[C@H]1CC[NH2+]C1 ZINC000400513203 226345339 /nfs/dbraw/zinc/34/53/39/226345339.db2.gz MDLZHPVBTPMVDA-YPMHNXCESA-N 1 3 236.334 1.956 10 0 BDAEHO C[C@H](N[C@H]1COc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000400509973 226345391 /nfs/dbraw/zinc/34/53/91/226345391.db2.gz LGSWYHXZDPBWRU-FPMFFAJLSA-N 1 3 246.354 1.578 10 0 BDAEHO Cn1cncc1CCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000314898609 487670019 /nfs/dbraw/zinc/67/00/19/487670019.db2.gz NCYHVXMNLDCDRG-FPMFFAJLSA-N 1 3 248.374 1.022 10 0 BDAEHO C[C@@H](CNC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000398338606 323006824 /nfs/dbraw/zinc/00/68/24/323006824.db2.gz FHGMPCODHFJEMK-QWHCGFSZSA-N 1 3 218.344 1.989 10 0 BDAEHO C[C@H]([NH2+]CC1CC=CC1)[C@@H]1CCCNC1 ZINC000530215896 323216855 /nfs/dbraw/zinc/21/68/55/323216855.db2.gz KBHWSSGOBSKIAR-WCQYABFASA-N 1 3 208.349 1.930 10 0 BDAEHO C[C@H]([NH2+]CCCC(C)(C)CO)[C@H]1CCCNC1 ZINC000569211798 326395093 /nfs/dbraw/zinc/39/50/93/326395093.db2.gz KSKPETPYTMKKKX-STQMWFEESA-N 1 3 242.407 1.763 10 0 BDAEHO C[C@@H]1CC[C@H](CN(C)[C@@H]2CCC[NH2+]CC2)O1 ZINC000226449328 488086007 /nfs/dbraw/zinc/08/60/07/488086007.db2.gz HOHHSTDJVKTSCG-JHJVBQTASA-N 1 3 226.364 1.628 10 0 BDAEHO CC(C)[C@@H](C)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000390221763 488141839 /nfs/dbraw/zinc/14/18/39/488141839.db2.gz ZHDAYYKRSUGSBT-OLZOCXBDSA-N 1 3 225.380 1.010 10 0 BDAEHO COCC[C@@H](C)[N@@H+]1CCCC12CCNCC2 ZINC000757134047 582510244 /nfs/dbraw/zinc/51/02/44/582510244.db2.gz VYVNRERYBGGMSD-GFCCVEGCSA-N 1 3 226.364 1.629 10 0 BDAEHO COCC[C@@H](C)[N@H+]1CCCC12CCNCC2 ZINC000757134047 582510245 /nfs/dbraw/zinc/51/02/45/582510245.db2.gz VYVNRERYBGGMSD-GFCCVEGCSA-N 1 3 226.364 1.629 10 0 BDAEHO C[C@H](NCC1(CO)CCCC1)[C@H]1CC[NH2+]C1 ZINC000400576498 533833248 /nfs/dbraw/zinc/83/32/48/533833248.db2.gz PEHCBNUAYGVQEI-RYUDHWBXSA-N 1 3 226.364 1.127 10 0 BDAEHO C[C@H](NCCOCC1CC1)[C@@H]1CC[NH2+]C1 ZINC000400334023 533858770 /nfs/dbraw/zinc/85/87/70/533858770.db2.gz CRFZARZAPOJJMJ-CMPLNLGQSA-N 1 3 212.337 1.001 10 0 BDAEHO C[C@H](NC[C@@H]1CCCCO1)[C@H]1CC[NH2+]C1 ZINC000400456604 533880205 /nfs/dbraw/zinc/88/02/05/533880205.db2.gz QEALQUYKCRYCAJ-SRVKXCTJSA-N 1 3 212.337 1.143 10 0 BDAEHO CC(C)(C)C[C@@H](O)CN[C@@H]1CCC[NH2+]CC1 ZINC000226066162 534628424 /nfs/dbraw/zinc/62/84/24/534628424.db2.gz GXOHUCHONGBMCS-VXGBXAGGSA-N 1 3 228.380 1.515 10 0 BDAEHO CCC[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)OC ZINC000400356861 528154119 /nfs/dbraw/zinc/15/41/19/528154119.db2.gz AUJHEZJGOHKVQF-QJPTWQEYSA-N 1 3 214.353 1.389 10 0 BDAEHO CC(C)C[C@H](CN(C)C)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400353306 528502257 /nfs/dbraw/zinc/50/22/57/528502257.db2.gz LCFDAWWGMOUGBL-BFHYXJOUSA-N 1 3 241.423 1.550 10 0 BDAEHO CC[C@H]1CC[NH2+]C2(CCN(CC)CC2)O1 ZINC000757139816 582520260 /nfs/dbraw/zinc/52/02/60/582520260.db2.gz HYGDHEZTFAAXQL-NSHDSACASA-N 1 3 212.337 1.587 10 0 BDAEHO C1CC1[NH+]1CCC2(CC1)NC[C@H]1CCC[C@H]1O2 ZINC000757143108 582523110 /nfs/dbraw/zinc/52/31/10/582523110.db2.gz MEGQNEQCMIZOJN-DGCLKSJQSA-N 1 3 236.359 1.729 10 0 BDAEHO COCCC[N@@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757130869 586426545 /nfs/dbraw/zinc/42/65/45/586426545.db2.gz OKFGBVQXBQCOFL-OLZOCXBDSA-N 1 3 226.364 1.487 10 0 BDAEHO COCCC[N@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757130869 586426547 /nfs/dbraw/zinc/42/65/47/586426547.db2.gz OKFGBVQXBQCOFL-OLZOCXBDSA-N 1 3 226.364 1.487 10 0 BDAEHO [NH3+][C@@H]1CCNC[C@H]1c1cccc2cc[nH]c21 ZINC000757209007 586437700 /nfs/dbraw/zinc/43/77/00/586437700.db2.gz CZGFNQGGFRBQCS-NWDGAFQWSA-N 1 3 215.300 1.572 10 0 BDAEHO CC(=O)c1cccc([C@@H]2CNCC[C@H]2[NH3+])c1 ZINC000757219046 586442314 /nfs/dbraw/zinc/44/23/14/586442314.db2.gz XSZUJEUUVVCCQC-QWHCGFSZSA-N 1 3 218.300 1.293 10 0 BDAEHO CC(=O)c1cccc([C@@H]2C[NH2+]CC[C@H]2N)c1 ZINC000757219046 586442315 /nfs/dbraw/zinc/44/23/15/586442315.db2.gz XSZUJEUUVVCCQC-QWHCGFSZSA-N 1 3 218.300 1.293 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1CC[C@H](C[NH3+])CN1 ZINC000757235811 586443581 /nfs/dbraw/zinc/44/35/81/586443581.db2.gz MWODRRQIXXHZIW-MFKMUULPSA-N 1 3 219.332 1.577 10 0 BDAEHO Cc1ccc(N)cc1[C@H]1CC[C@H](N)C[NH2+]1 ZINC000757236243 586443677 /nfs/dbraw/zinc/44/36/77/586443677.db2.gz NSAOPYPCUNZMRL-CMPLNLGQSA-N 1 3 205.305 1.329 10 0 BDAEHO C[C@H](N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000328556924 633777228 /nfs/dbraw/zinc/77/72/28/633777228.db2.gz AWWZANVYOIMZMF-ZEIUOFLISA-N 1 3 206.333 1.371 10 0 BDAEHO CC[NH2+]CC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000044651263 640447840 /nfs/dbraw/zinc/44/78/40/640447840.db2.gz FYGHONAIBIAFLI-ZDUSSCGKSA-N 1 3 249.358 1.015 10 0 BDAEHO FC(F)(F)SCCN[C@H]1CCC[NH2+]CC1 ZINC000231938049 641216555 /nfs/dbraw/zinc/21/65/55/641216555.db2.gz QHDMWRWSMJVRMS-QMMMGPOBSA-N 1 3 242.310 1.971 10 0 BDAEHO CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1CCCO1 ZINC000083774181 644408501 /nfs/dbraw/zinc/40/85/01/644408501.db2.gz KTNMXXMFJKIBMQ-VHSXEESVSA-N 1 3 200.326 1.128 10 0 BDAEHO CCN(C[C@@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000249811271 644742111 /nfs/dbraw/zinc/74/21/11/644742111.db2.gz HDJMCMXHXGGUQM-STQMWFEESA-N 1 3 226.364 1.629 10 0 BDAEHO N[C@H]1CCCCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000708993494 712205396 /nfs/dbraw/zinc/20/53/96/712205396.db2.gz QLNNWDZLLODWRH-RYUDHWBXSA-N 1 3 212.337 1.369 10 0 BDAEHO N[C@H]1CCCCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000708993494 712205397 /nfs/dbraw/zinc/20/53/97/712205397.db2.gz QLNNWDZLLODWRH-RYUDHWBXSA-N 1 3 212.337 1.369 10 0 BDAEHO CCOC[C@@H](C)N1CCC([NH3+])(CC)CC1 ZINC000714752619 711522100 /nfs/dbraw/zinc/52/21/00/711522100.db2.gz CRLXOFVNQSSZIW-LLVKDONJSA-N 1 3 214.353 1.615 10 0 BDAEHO CCC1([NH3+])CCN([C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000714752966 712497245 /nfs/dbraw/zinc/49/72/45/712497245.db2.gz GKRXJSHOUNHGAW-QJPTWQEYSA-N 1 3 226.364 1.756 10 0 BDAEHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCCNCC2)[C@@H](C)O1 ZINC000423174926 398164608 /nfs/dbraw/zinc/16/46/08/398164608.db2.gz DCLZDNICVXOIGW-LPWJVIDDSA-N 1 3 226.364 1.532 10 0 BDAEHO C[NH2+]C[C@@H]1CCN([C@@H]2CCCSC2)C1 ZINC000070798704 361758411 /nfs/dbraw/zinc/75/84/11/361758411.db2.gz UBZZTJZRQULCIR-WDEREUQCSA-N 1 3 214.378 1.423 10 0 BDAEHO C[C@@H]1SCC[C@]1(C[NH3+])N1CCCC1 ZINC000235389688 398337211 /nfs/dbraw/zinc/33/72/11/398337211.db2.gz AAKJVOSNXWLKGZ-VHSXEESVSA-N 1 3 200.351 1.305 10 0 BDAEHO C[C@@H]([NH2+]C[C@@H]1CCCNC1)C1CCOCC1 ZINC000235192439 342990186 /nfs/dbraw/zinc/99/01/86/342990186.db2.gz DJZAFYHVWXYSLD-VXGBXAGGSA-N 1 3 226.364 1.391 10 0 BDAEHO C[N@@H+]1CCc2ccsc2C12CCNCC2 ZINC000584883775 343087018 /nfs/dbraw/zinc/08/70/18/343087018.db2.gz IBMYTRFZPSGZCI-UHFFFAOYSA-N 1 3 222.357 1.815 10 0 BDAEHO C[N@H+]1CCc2ccsc2C12CCNCC2 ZINC000584883775 343087021 /nfs/dbraw/zinc/08/70/21/343087021.db2.gz IBMYTRFZPSGZCI-UHFFFAOYSA-N 1 3 222.357 1.815 10 0 BDAEHO C[C@H]([NH3+])c1ccc(CN2CCN(C)[C@@H](C)C2)cc1 ZINC000142161817 343105448 /nfs/dbraw/zinc/10/54/48/343105448.db2.gz ZEPOQCRUBRTUSL-STQMWFEESA-N 1 3 247.386 1.842 10 0 BDAEHO CO[C@@H]1C[C@H]([NH2+]C2CCNCC2)C12CCC2 ZINC000335617272 136296420 /nfs/dbraw/zinc/29/64/20/136296420.db2.gz YGUIARPTPJWQSN-NWDGAFQWSA-N 1 3 224.348 1.286 10 0 BDAEHO CO[C@@H]1C[C@H](NC2CC[NH2+]CC2)C12CCC2 ZINC000335617272 136296421 /nfs/dbraw/zinc/29/64/21/136296421.db2.gz YGUIARPTPJWQSN-NWDGAFQWSA-N 1 3 224.348 1.286 10 0 BDAEHO COC[C@@H]1C[N@H+](CCCN)CC12CCCC2 ZINC000409435483 343833772 /nfs/dbraw/zinc/83/37/72/343833772.db2.gz UYQYWTBUZIWROV-LBPRGKRZSA-N 1 3 226.364 1.474 10 0 BDAEHO COC[C@@H]1C[N@@H+](CCCN)CC12CCCC2 ZINC000409435483 343833774 /nfs/dbraw/zinc/83/37/74/343833774.db2.gz UYQYWTBUZIWROV-LBPRGKRZSA-N 1 3 226.364 1.474 10 0 BDAEHO C[C@@H]1CN([C@@H]2CC[C@@H]([NH3+])C2)CCS1 ZINC000221063433 344669130 /nfs/dbraw/zinc/66/91/30/344669130.db2.gz DLGDXSOKPCDVMQ-OPRDCNLKSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1C[N@H+](C[C@@H]2CCSC2)C[C@@H]1CN ZINC000634998603 345197999 /nfs/dbraw/zinc/19/79/99/345197999.db2.gz IFVKXWFXJCPTSG-VWYCJHECSA-N 1 3 214.378 1.266 10 0 BDAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)C[C@@H]1CN ZINC000634998603 345198001 /nfs/dbraw/zinc/19/80/01/345198001.db2.gz IFVKXWFXJCPTSG-VWYCJHECSA-N 1 3 214.378 1.266 10 0 BDAEHO C[C@H]1CN(Cc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000634999230 345199279 /nfs/dbraw/zinc/19/92/79/345199279.db2.gz RJQPPFQZMXHFBB-FZMZJTMJSA-N 1 3 246.354 1.648 10 0 BDAEHO COCC(C)(C)C[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000634999392 345200373 /nfs/dbraw/zinc/20/03/73/345200373.db2.gz UBAFIQWGPWAOTP-QWRGUYRKSA-N 1 3 214.353 1.186 10 0 BDAEHO COCC(C)(C)C[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000634999392 345200375 /nfs/dbraw/zinc/20/03/75/345200375.db2.gz UBAFIQWGPWAOTP-QWRGUYRKSA-N 1 3 214.353 1.186 10 0 BDAEHO Cc1cccc(N(CCC[NH3+])CCN(C)C)c1 ZINC000034959887 179119669 /nfs/dbraw/zinc/11/96/69/179119669.db2.gz MOQAVQITXAKYIH-UHFFFAOYSA-N 1 3 235.375 1.712 10 0 BDAEHO Cc1ccccc1[C@H](C[NH3+])N(C)CCN(C)C ZINC000041268351 179342011 /nfs/dbraw/zinc/34/20/11/179342011.db2.gz PIMRPOAKKRPHFE-AWEZNQCLSA-N 1 3 235.375 1.488 10 0 BDAEHO O[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000250672083 538023925 /nfs/dbraw/zinc/02/39/25/538023925.db2.gz VEOJNDLOADDGJY-IGQOVBAYSA-N 1 3 238.375 1.506 10 0 BDAEHO O[C@@H]1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000250672083 538023930 /nfs/dbraw/zinc/02/39/30/538023930.db2.gz VEOJNDLOADDGJY-IGQOVBAYSA-N 1 3 238.375 1.506 10 0 BDAEHO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000250672083 538023937 /nfs/dbraw/zinc/02/39/37/538023937.db2.gz VEOJNDLOADDGJY-IGQOVBAYSA-N 1 3 238.375 1.506 10 0 BDAEHO c1ccc2c(c1)CN(C[C@H]1CC[NH2+]C1)C=N2 ZINC000095080153 191053683 /nfs/dbraw/zinc/05/36/83/191053683.db2.gz SOQVVTPOUCKMDR-NSHDSACASA-N 1 3 215.300 1.772 10 0 BDAEHO N[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000220675798 350181433 /nfs/dbraw/zinc/18/14/33/350181433.db2.gz PYKJBTVBLRMNEU-OPRDCNLKSA-N 1 3 200.351 1.351 10 0 BDAEHO [NH3+][C@@H]1CC[C@@H](N[C@@H]2CCCSC2)C1 ZINC000220675798 350181437 /nfs/dbraw/zinc/18/14/37/350181437.db2.gz PYKJBTVBLRMNEU-OPRDCNLKSA-N 1 3 200.351 1.351 10 0 BDAEHO Cc1nccn1CCN1C[C@H](C[NH3+])CC[C@@H]1C ZINC000042427523 180253905 /nfs/dbraw/zinc/25/39/05/180253905.db2.gz ZETSYEIRLCNIDW-AAEUAGOBSA-N 1 3 236.363 1.251 10 0 BDAEHO [NH3+]CCCN(C1CC1)[C@H]1CCSC1 ZINC000409433530 350477814 /nfs/dbraw/zinc/47/78/14/350477814.db2.gz MXOHTCBGQSNKLC-JTQLQIEISA-N 1 3 200.351 1.305 10 0 BDAEHO NCC[N@@H+]1CCC[C@@H](c2cccc(N)n2)CC1 ZINC000616602479 350792119 /nfs/dbraw/zinc/79/21/19/350792119.db2.gz XUKPLVZGGIIEDA-LLVKDONJSA-N 1 3 234.347 1.192 10 0 BDAEHO NCC[N@H+]1CCC[C@@H](c2cccc(N)n2)CC1 ZINC000616602479 350792121 /nfs/dbraw/zinc/79/21/21/350792121.db2.gz XUKPLVZGGIIEDA-LLVKDONJSA-N 1 3 234.347 1.192 10 0 BDAEHO [NH3+]CC[C@H]1CCN(Cc2ccccc2)CCO1 ZINC000616662994 351214707 /nfs/dbraw/zinc/21/47/07/351214707.db2.gz NRMHJWSWBSSUPB-AWEZNQCLSA-N 1 3 234.343 1.626 10 0 BDAEHO C[C@@H]1C[N@@H+]([C@@H]2CCNC[C@@H]2C)CCS1 ZINC000307030638 351431823 /nfs/dbraw/zinc/43/18/23/351431823.db2.gz DNLWGMRFGHDXHV-HBNTYKKESA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@@H]1C[N@H+]([C@@H]2CCNC[C@@H]2C)CCS1 ZINC000307030638 351431824 /nfs/dbraw/zinc/43/18/24/351431824.db2.gz DNLWGMRFGHDXHV-HBNTYKKESA-N 1 3 214.378 1.422 10 0 BDAEHO CC(C)([NH3+])CNCCCNC(=O)OC(C)(C)C ZINC000307047037 351446146 /nfs/dbraw/zinc/44/61/46/351446146.db2.gz ZLUUAUDCJQXMHQ-UHFFFAOYSA-N 1 3 245.367 1.228 10 0 BDAEHO Cc1cnn(CCN[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000577739705 366047670 /nfs/dbraw/zinc/04/76/70/366047670.db2.gz BGRRBZZFCCZMSE-OLZOCXBDSA-N 1 3 236.363 1.169 10 0 BDAEHO Cc1cnn(CC[NH2+][C@H](C)[C@H]2CCCNC2)c1 ZINC000577739705 366047676 /nfs/dbraw/zinc/04/76/76/366047676.db2.gz BGRRBZZFCCZMSE-OLZOCXBDSA-N 1 3 236.363 1.169 10 0 BDAEHO Cc1cnn(CCN[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000577739704 366048049 /nfs/dbraw/zinc/04/80/49/366048049.db2.gz BGRRBZZFCCZMSE-CHWSQXEVSA-N 1 3 236.363 1.169 10 0 BDAEHO Cc1cnn(CC[NH2+][C@H](C)[C@@H]2CCCNC2)c1 ZINC000577739704 366048054 /nfs/dbraw/zinc/04/80/54/366048054.db2.gz BGRRBZZFCCZMSE-CHWSQXEVSA-N 1 3 236.363 1.169 10 0 BDAEHO Cc1cnn(CCN[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000577739706 366048129 /nfs/dbraw/zinc/04/81/29/366048129.db2.gz BGRRBZZFCCZMSE-QWHCGFSZSA-N 1 3 236.363 1.169 10 0 BDAEHO Cc1cnn(CC[NH2+][C@@H](C)[C@@H]2CCCNC2)c1 ZINC000577739706 366048131 /nfs/dbraw/zinc/04/81/31/366048131.db2.gz BGRRBZZFCCZMSE-QWHCGFSZSA-N 1 3 236.363 1.169 10 0 BDAEHO C[C@H]1CCCC[N@@H+]1C1(CN)CSC1 ZINC000307421573 352590708 /nfs/dbraw/zinc/59/07/08/352590708.db2.gz RQXXKADVONWPOS-VIFPVBQESA-N 1 3 200.351 1.305 10 0 BDAEHO C[C@H]1CCCC[N@H+]1C1(CN)CSC1 ZINC000307421573 352590710 /nfs/dbraw/zinc/59/07/10/352590710.db2.gz RQXXKADVONWPOS-VIFPVBQESA-N 1 3 200.351 1.305 10 0 BDAEHO C[C@@H]1CCN(C(N)=[NH2+])CCN1Cc1ccccc1 ZINC000307598583 352665857 /nfs/dbraw/zinc/66/58/57/352665857.db2.gz PCIQLDDHPSCZOR-GFCCVEGCSA-N 1 3 246.358 1.476 10 0 BDAEHO N[C@@H](C[NH2+]Cc1ccccc1)CC1CC1 ZINC000307643980 352737095 /nfs/dbraw/zinc/73/70/95/352737095.db2.gz RFHAKVFMBQHMTP-CYBMUJFWSA-N 1 3 204.317 1.904 10 0 BDAEHO C[C@@H]1COC[C@@H](C)N1CC[C@@H]1CC[NH2+]C1 ZINC000420296789 192205958 /nfs/dbraw/zinc/20/59/58/192205958.db2.gz DWUOIMBEPWCZML-UTUOFQBUSA-N 1 3 212.337 1.095 10 0 BDAEHO C[C@H]([NH2+]CC1(C)CCOCC1)[C@@H]1CCCNC1 ZINC000582235691 356651983 /nfs/dbraw/zinc/65/19/83/356651983.db2.gz UZQZRQNLAIRHQQ-QWHCGFSZSA-N 1 3 240.391 1.781 10 0 BDAEHO [NH3+][C@H]1C=C(C[C@H]2CCC(F)(F)C2)CNC1 ZINC000675076657 538511350 /nfs/dbraw/zinc/51/13/50/538511350.db2.gz FNOGBIFBDBWRQP-SCZZXKLOSA-N 1 3 216.275 1.669 10 0 BDAEHO C[C@@H]1CNC[C@@H](C)C1[NH+]1CCSCC1 ZINC000685950667 538893998 /nfs/dbraw/zinc/89/39/98/538893998.db2.gz DDSFDTDNQPYURX-NXEZZACHSA-N 1 3 214.378 1.279 10 0 BDAEHO Cc1c[nH+]ccc1N1CCO[C@@H](CN(C)C)C1 ZINC000192573588 357844595 /nfs/dbraw/zinc/84/45/95/357844595.db2.gz RHCIEXGUKMSNJA-LBPRGKRZSA-N 1 3 235.331 1.157 10 0 BDAEHO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCNC1 ZINC000584768894 358171135 /nfs/dbraw/zinc/17/11/35/358171135.db2.gz JQBZQGYSUPMWBA-XVIXHAIJSA-N 1 3 240.391 1.920 10 0 BDAEHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCSCC1 ZINC000306213419 359307118 /nfs/dbraw/zinc/30/71/18/359307118.db2.gz WVOUINUJHBDIDN-KOLCDFICSA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[NH2+]C1CCNCC1 ZINC000306489452 360178663 /nfs/dbraw/zinc/17/86/63/360178663.db2.gz LMJANJNMQRYJTC-WPRPVWTQSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@@H]1SCC[C@@H]1NC1CC[NH2+]CC1 ZINC000306489452 360178670 /nfs/dbraw/zinc/17/86/70/360178670.db2.gz LMJANJNMQRYJTC-WPRPVWTQSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@H]1CSCC[N@@H+]1C1CCNCC1 ZINC000069761007 360409361 /nfs/dbraw/zinc/40/93/61/360409361.db2.gz CGQSFQFNFIRIGT-VIFPVBQESA-N 1 3 200.351 1.176 10 0 BDAEHO C[C@H]1CSCC[N@H+]1C1CCNCC1 ZINC000069761007 360409365 /nfs/dbraw/zinc/40/93/65/360409365.db2.gz CGQSFQFNFIRIGT-VIFPVBQESA-N 1 3 200.351 1.176 10 0 BDAEHO C[C@H]([C@H]1CC[NH2+]C1)N1CCSC[C@H]1C ZINC000306577055 360465002 /nfs/dbraw/zinc/46/50/02/360465002.db2.gz KYWWXDRXWAVKOQ-MXWKQRLJSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000306611962 360852546 /nfs/dbraw/zinc/85/25/46/360852546.db2.gz HNBAKRAUBSVJDN-HBNTYKKESA-N 1 3 214.378 1.612 10 0 BDAEHO C[C@@H]1SCC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000306611962 360852548 /nfs/dbraw/zinc/85/25/48/360852548.db2.gz HNBAKRAUBSVJDN-HBNTYKKESA-N 1 3 214.378 1.612 10 0 BDAEHO COC1(CNC[C@H]2CC[NH2+]C2)CCCC1 ZINC000629647753 361537599 /nfs/dbraw/zinc/53/75/99/361537599.db2.gz HSSUPNWHSFCHKY-NSHDSACASA-N 1 3 212.337 1.145 10 0 BDAEHO COC1(CNC[C@@H]2CC[NH2+]C2)CCCC1 ZINC000629647752 361537950 /nfs/dbraw/zinc/53/79/50/361537950.db2.gz HSSUPNWHSFCHKY-LLVKDONJSA-N 1 3 212.337 1.145 10 0 BDAEHO [NH3+]C1CCC(N[C@H]2COc3ccccc32)CC1 ZINC000094089167 181342340 /nfs/dbraw/zinc/34/23/40/181342340.db2.gz XCHRSRVDJDKVOM-XIVSLSHWSA-N 1 3 232.327 1.980 10 0 BDAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCc1ccc(O)cc1 ZINC000054628689 181344849 /nfs/dbraw/zinc/34/48/49/181344849.db2.gz QQSVSUJUWOJQMQ-AGUYFDCRSA-N 1 3 246.354 1.889 10 0 BDAEHO C[C@H](CN)[C@@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000252588209 363909531 /nfs/dbraw/zinc/90/95/31/363909531.db2.gz AUEMVAHQZVYDMA-GMTAPVOTSA-N 1 3 200.326 1.081 10 0 BDAEHO C[C@H](CN)[C@@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000252588209 363909533 /nfs/dbraw/zinc/90/95/33/363909533.db2.gz AUEMVAHQZVYDMA-GMTAPVOTSA-N 1 3 200.326 1.081 10 0 BDAEHO C[C@H](C[NH3+])[C@@H](C)N1CCCO[C@H](C)C1 ZINC000252588209 363909536 /nfs/dbraw/zinc/90/95/36/363909536.db2.gz AUEMVAHQZVYDMA-GMTAPVOTSA-N 1 3 200.326 1.081 10 0 BDAEHO [NH3+]CC1(CN2CCC[C@@H](CO)C2)CCCC1 ZINC000051206179 181358734 /nfs/dbraw/zinc/35/87/34/181358734.db2.gz BXHXLTLDZRDUAB-GFCCVEGCSA-N 1 3 226.364 1.210 10 0 BDAEHO OCC[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000444596369 193052055 /nfs/dbraw/zinc/05/20/55/193052055.db2.gz MZGCHGKRUNPDHP-CQSZACIVSA-N 1 3 240.391 1.567 10 0 BDAEHO COC[C@H](C1CC1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000380670089 367276011 /nfs/dbraw/zinc/27/60/11/367276011.db2.gz AVEBPHWDHJQFDD-RAIGVLPGSA-N 1 3 226.364 1.328 10 0 BDAEHO COC[C@H](C1CC1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000380670089 367276014 /nfs/dbraw/zinc/27/60/14/367276014.db2.gz AVEBPHWDHJQFDD-RAIGVLPGSA-N 1 3 226.364 1.328 10 0 BDAEHO C[C@H]1OCC[C@H]1NCC[C@H]1CCCC[N@@H+]1C ZINC000382199069 367498601 /nfs/dbraw/zinc/49/86/01/367498601.db2.gz DMLMAZVKVZTTOO-JHJVBQTASA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@H]1OCC[C@H]1NCC[C@H]1CCCC[N@H+]1C ZINC000382199069 367498607 /nfs/dbraw/zinc/49/86/07/367498607.db2.gz DMLMAZVKVZTTOO-JHJVBQTASA-N 1 3 226.364 1.628 10 0 BDAEHO CO[C@H](C)[C@H](C)[N@@H+]1C[C@@H](C)C[C@H](N)C1 ZINC000252943371 368168918 /nfs/dbraw/zinc/16/89/18/368168918.db2.gz KMGBGAOPMDHDBA-MMWGEVLESA-N 1 3 200.326 1.079 10 0 BDAEHO CO[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)C[C@H](N)C1 ZINC000252943371 368168928 /nfs/dbraw/zinc/16/89/28/368168928.db2.gz KMGBGAOPMDHDBA-MMWGEVLESA-N 1 3 200.326 1.079 10 0 BDAEHO CC1(C)C[N@H+](CC2(N)CC2)CCS1 ZINC000133342506 372026536 /nfs/dbraw/zinc/02/65/36/372026536.db2.gz ARPPPWPKMIJJGI-UHFFFAOYSA-N 1 3 200.351 1.305 10 0 BDAEHO CC1(C)C[N@@H+](CC2(N)CC2)CCS1 ZINC000133342506 372026543 /nfs/dbraw/zinc/02/65/43/372026543.db2.gz ARPPPWPKMIJJGI-UHFFFAOYSA-N 1 3 200.351 1.305 10 0 BDAEHO C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1CN ZINC000631836719 372625258 /nfs/dbraw/zinc/62/52/58/372625258.db2.gz FTKHCKMVVAAXRH-AGIUHOORSA-N 1 3 226.364 1.472 10 0 BDAEHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1CN ZINC000631836719 372625265 /nfs/dbraw/zinc/62/52/65/372625265.db2.gz FTKHCKMVVAAXRH-AGIUHOORSA-N 1 3 226.364 1.472 10 0 BDAEHO OC[C@H]1CC[N@H+](CCCN2CCCCCC2)C1 ZINC000049474441 183152258 /nfs/dbraw/zinc/15/22/58/183152258.db2.gz YMZKBSQATOBTIP-AWEZNQCLSA-N 1 3 240.391 1.567 10 0 BDAEHO OC[C@H]1CC[N@@H+](CCCN2CCCCCC2)C1 ZINC000049474441 183152259 /nfs/dbraw/zinc/15/22/59/183152259.db2.gz YMZKBSQATOBTIP-AWEZNQCLSA-N 1 3 240.391 1.567 10 0 BDAEHO CCCN1CCC(CN)([N@H+](CC)CCC)CC1 ZINC000037094781 169187260 /nfs/dbraw/zinc/18/72/60/169187260.db2.gz YMORXFBUOFWSIT-UHFFFAOYSA-N 1 3 241.423 1.922 10 0 BDAEHO CCCN1CCC(CN)([N@@H+](CC)CCC)CC1 ZINC000037094781 169187261 /nfs/dbraw/zinc/18/72/61/169187261.db2.gz YMORXFBUOFWSIT-UHFFFAOYSA-N 1 3 241.423 1.922 10 0 BDAEHO CCCN1CCN(CC[C@H](C)[NH2+]C)CC1 ZINC000043805414 169202575 /nfs/dbraw/zinc/20/25/75/169202575.db2.gz JFXBFXXPFRGOFA-LBPRGKRZSA-N 1 3 213.369 1.012 10 0 BDAEHO CCCN1CCN([C@@](C)(C[NH3+])CCC)CC1 ZINC000019518356 169202666 /nfs/dbraw/zinc/20/26/66/169202666.db2.gz JFROZSVLFXPMNK-CYBMUJFWSA-N 1 3 227.396 1.532 10 0 BDAEHO CCCN1CCN([C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000019405923 169205709 /nfs/dbraw/zinc/20/57/09/169205709.db2.gz QFEWKKWUCUACPO-OLZOCXBDSA-N 1 3 225.380 1.284 10 0 BDAEHO CCCNC[C@@H](O)C[N@H+](CCOC)[C@@H](C)CC ZINC000042580679 169262319 /nfs/dbraw/zinc/26/23/19/169262319.db2.gz NDXPUWXXOYVXSI-QWHCGFSZSA-N 1 3 246.395 1.094 10 0 BDAEHO CCCNC[C@@H](O)C[N@@H+](CCOC)[C@@H](C)CC ZINC000042580679 169262321 /nfs/dbraw/zinc/26/23/21/169262321.db2.gz NDXPUWXXOYVXSI-QWHCGFSZSA-N 1 3 246.395 1.094 10 0 BDAEHO CCC[NH2+][C@H](C)[C@@H](C)N1CCN(C)[C@H](CC)C1 ZINC000104142882 169285784 /nfs/dbraw/zinc/28/57/84/169285784.db2.gz FSBOHFJUKGUFGL-MGPQQGTHSA-N 1 3 241.423 1.789 10 0 BDAEHO CCC[NH2+]C[C@H]1CCCN([C@@H]2CCC[C@@H]2O)C1 ZINC000104421512 169264824 /nfs/dbraw/zinc/26/48/24/169264824.db2.gz CFYLVLYKQMTYMH-MCIONIFRSA-N 1 3 240.391 1.611 10 0 BDAEHO [NH3+][C@H](CCO)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000095077233 384352895 /nfs/dbraw/zinc/35/28/95/384352895.db2.gz PYWOWVDBIHYQJK-LSDHHAIUSA-N 1 3 248.370 1.608 10 0 BDAEHO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1N)c1ccc[nH]1 ZINC000095068305 384329877 /nfs/dbraw/zinc/32/98/77/384329877.db2.gz BNGCEMOQZAFMLM-JFGNBEQYSA-N 1 3 207.321 1.935 10 0 BDAEHO [NH3+][C@H]1CC[C@H](NCC(=O)c2ccccn2)CC1 ZINC000100278656 384631471 /nfs/dbraw/zinc/63/14/71/384631471.db2.gz JPMHHLKOXLFJQE-PHIMTYICSA-N 1 3 233.315 1.124 10 0 BDAEHO Cc1cccc(CCNC[C@H]2CCC[NH2+]C2)n1 ZINC000415108720 386588739 /nfs/dbraw/zinc/58/87/39/386588739.db2.gz QKMSJDSEFZQCIX-ZDUSSCGKSA-N 1 3 233.359 1.522 10 0 BDAEHO C[C@@H]1C[C@H](N[C@H]2CC[C@@H]([NH3+])C2)CS1 ZINC000306895519 386532244 /nfs/dbraw/zinc/53/22/44/386532244.db2.gz MYAKUJJMFBMGIW-IMSYWVGJSA-N 1 3 200.351 1.350 10 0 BDAEHO CCN(CCN[C@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000519698274 386534847 /nfs/dbraw/zinc/53/48/47/386534847.db2.gz IKQOQUDQGYUGMU-CHWSQXEVSA-N 1 3 239.407 1.448 10 0 BDAEHO FC1(F)CC[C@H](C[NH2+][C@@H]2CCNC2)C1 ZINC000335028352 387123089 /nfs/dbraw/zinc/12/30/89/387123089.db2.gz INZNMAXPSMBGHQ-DTWKUNHWSA-N 1 3 204.264 1.373 10 0 BDAEHO C[C@@H]1C[C@@H]([NH3+])CN1C[C@H]1CCSC1 ZINC000575588317 387184229 /nfs/dbraw/zinc/18/42/29/387184229.db2.gz AJDDXYGNDHXMGQ-OPRDCNLKSA-N 1 3 200.351 1.161 10 0 BDAEHO C[NH2+][C@@H]1CO[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000575508173 387371341 /nfs/dbraw/zinc/37/13/41/387371341.db2.gz OOMUTXJGFMZXGF-LSDHHAIUSA-N 1 3 246.354 1.639 10 0 BDAEHO [NH3+]C1CC(CN2CCC=C(Cl)C2)C1 ZINC000575498108 387328055 /nfs/dbraw/zinc/32/80/55/387328055.db2.gz RXTCBECWSGYKBI-UHFFFAOYSA-N 1 3 200.713 1.552 10 0 BDAEHO CC(C)OC1CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000643475984 387513315 /nfs/dbraw/zinc/51/33/15/387513315.db2.gz ZRWLXQFRLBMFTP-OTTFEQOBSA-N 1 3 226.364 1.674 10 0 BDAEHO CC(C)OCCCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193639941 387858627 /nfs/dbraw/zinc/85/86/27/387858627.db2.gz LLJUGWBCDPTEQU-BETUJISGSA-N 1 3 226.364 1.295 10 0 BDAEHO CC(C)OCCCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193639941 387858630 /nfs/dbraw/zinc/85/86/30/387858630.db2.gz LLJUGWBCDPTEQU-BETUJISGSA-N 1 3 226.364 1.295 10 0 BDAEHO C[C@@H]([NH2+]CCCOCC1CC1)[C@@H]1CCCNC1 ZINC000643457831 387817757 /nfs/dbraw/zinc/81/77/57/387817757.db2.gz XIGDTEZCFZASLY-TZMCWYRMSA-N 1 3 240.391 1.781 10 0 BDAEHO C[C@H](NCCOCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400502989 387982460 /nfs/dbraw/zinc/98/24/60/387982460.db2.gz CNXVKXIBUXKDRO-DZGCQCFKSA-N 1 3 248.370 1.791 10 0 BDAEHO CN(CCC[NH+](C)C)C[C@@H]1CCC[C@H]1O ZINC000252459205 135091226 /nfs/dbraw/zinc/09/12/26/135091226.db2.gz WVOZSFOPEULKHG-NWDGAFQWSA-N 1 3 214.353 1.031 10 0 BDAEHO CC(C)[C@H](CN[C@H]1CC[NH2+]C1)N1CCCC1 ZINC000086725759 388108250 /nfs/dbraw/zinc/10/82/50/388108250.db2.gz COKCTRHCJQRYQH-STQMWFEESA-N 1 3 225.380 1.058 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166592774 388255234 /nfs/dbraw/zinc/25/52/34/388255234.db2.gz MHPDAJAMKLSBIX-YNEHKIRRSA-N 1 3 240.391 1.610 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166592774 388255236 /nfs/dbraw/zinc/25/52/36/388255236.db2.gz MHPDAJAMKLSBIX-YNEHKIRRSA-N 1 3 240.391 1.610 10 0 BDAEHO CCC[C@@H]1C[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000300387210 388364337 /nfs/dbraw/zinc/36/43/37/388364337.db2.gz PEJGGNSBLZWBIX-UPJWGTAASA-N 1 3 226.364 1.221 10 0 BDAEHO C[C@@H](NC1Cc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000335044259 388448251 /nfs/dbraw/zinc/44/82/51/388448251.db2.gz XWVIEFDYFGWSFZ-RISCZKNCSA-N 1 3 230.355 1.741 10 0 BDAEHO CC[C@@H](C)[C@H](CNC1CC[NH2+]CC1)OC ZINC000362977658 388563121 /nfs/dbraw/zinc/56/31/21/388563121.db2.gz SPSPJJPENRXGLV-PWSUYJOCSA-N 1 3 214.353 1.389 10 0 BDAEHO CC[C@@H](C)[C@H](C[NH2+]C1CCNCC1)OC ZINC000362977658 388563126 /nfs/dbraw/zinc/56/31/26/388563126.db2.gz SPSPJJPENRXGLV-PWSUYJOCSA-N 1 3 214.353 1.389 10 0 BDAEHO CCC[C@H](CN[C@@H]1CCC[NH2+]CC1)OCC ZINC000530212325 388627356 /nfs/dbraw/zinc/62/73/56/388627356.db2.gz QGRYOFIJJHLIGE-CHWSQXEVSA-N 1 3 228.380 1.923 10 0 BDAEHO CC[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)OC ZINC000566004107 388982623 /nfs/dbraw/zinc/98/26/23/388982623.db2.gz QZZYNZAZLONXKP-SDDRHHMPSA-N 1 3 214.353 1.389 10 0 BDAEHO CC[C@H](C)N1CCN(c2cc[nH+]cc2N)CC1 ZINC000035368418 132338316 /nfs/dbraw/zinc/33/83/16/132338316.db2.gz NPCMPOZRBVVJJZ-NSHDSACASA-N 1 3 234.347 1.584 10 0 BDAEHO CC1CCC(C[NH2+]CCOCCN(C)C)CC1 ZINC000226745513 134370939 /nfs/dbraw/zinc/37/09/39/134370939.db2.gz SHYOGBYQWIPFRM-UHFFFAOYSA-N 1 3 242.407 1.981 10 0 BDAEHO CC1(C)CN(C[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261535937 135170162 /nfs/dbraw/zinc/17/01/62/135170162.db2.gz PSYRUYYZQBUXTL-WDEREUQCSA-N 1 3 212.337 1.082 10 0 BDAEHO CC1(C)CN(C[C@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000261538298 135175776 /nfs/dbraw/zinc/17/57/76/135175776.db2.gz XRDOEZCHKGSVNU-MNOVXSKESA-N 1 3 228.405 1.799 10 0 BDAEHO CC1(C)CCC(NC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000262181439 135284478 /nfs/dbraw/zinc/28/44/78/135284478.db2.gz WVHWGTSEEHEPBB-CMPLNLGQSA-N 1 3 226.364 1.125 10 0 BDAEHO CC1(C)CCC([NH2+]C[C@@H]2CNC[C@H]2O)CC1 ZINC000262181439 135284479 /nfs/dbraw/zinc/28/44/79/135284479.db2.gz WVHWGTSEEHEPBB-CMPLNLGQSA-N 1 3 226.364 1.125 10 0 BDAEHO CC(C)C1CCC(NC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263315532 135345890 /nfs/dbraw/zinc/34/58/90/135345890.db2.gz ZKGRMLJQJPBJRM-FKZOYECMSA-N 1 3 240.391 1.371 10 0 BDAEHO CC(C)C1CCC([NH2+]C[C@H]2CNC[C@H]2O)CC1 ZINC000263315532 135345892 /nfs/dbraw/zinc/34/58/92/135345892.db2.gz ZKGRMLJQJPBJRM-FKZOYECMSA-N 1 3 240.391 1.371 10 0 BDAEHO CC(C)[NH2+]CCCN1CCN(C(C)(C)C)CC1 ZINC000042462874 167101418 /nfs/dbraw/zinc/10/14/18/167101418.db2.gz IZYYDJDEJWRDCY-UHFFFAOYSA-N 1 3 241.423 1.791 10 0 BDAEHO CCN(CC)c1ccc(NC(=[NH2+])NC(=N)N)cc1 ZINC000000554905 169804236 /nfs/dbraw/zinc/80/42/36/169804236.db2.gz ACYNQSZKWXOVTQ-UHFFFAOYSA-N 1 3 248.334 1.363 10 0 BDAEHO CCN(CC)c1ccc(NC(=N)NC(N)=[NH2+])cc1 ZINC000000554905 169804237 /nfs/dbraw/zinc/80/42/37/169804237.db2.gz ACYNQSZKWXOVTQ-UHFFFAOYSA-N 1 3 248.334 1.363 10 0 BDAEHO C[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000656782771 411360319 /nfs/dbraw/zinc/36/03/19/411360319.db2.gz JPNAMBMQTFXTGT-FRRDWIJNSA-N 1 3 233.359 1.773 10 0 BDAEHO CCC(C)(C)[NH2+]C[C@H](C)N1CCCN(C)CC1 ZINC000053487761 168298746 /nfs/dbraw/zinc/29/87/46/168298746.db2.gz GWDMLNQJMKYABX-ZDUSSCGKSA-N 1 3 241.423 1.791 10 0 BDAEHO CC[NH2+]CC1(CN(CC)C2CC2)CCOCC1 ZINC000052181252 170110419 /nfs/dbraw/zinc/11/04/19/170110419.db2.gz RVSUIFWIJXNSIM-UHFFFAOYSA-N 1 3 240.391 1.877 10 0 BDAEHO CC[NH2+]CCNCCN1CCCCCC1 ZINC000049478455 170115731 /nfs/dbraw/zinc/11/57/31/170115731.db2.gz TXLVGXCDZUCFNW-UHFFFAOYSA-N 1 3 213.369 1.062 10 0 BDAEHO CCN[C@@H](CC[N@H+](C)CCO)c1ccccc1 ZINC000053933773 170145324 /nfs/dbraw/zinc/14/53/24/170145324.db2.gz AEURTMITPOWWEK-AWEZNQCLSA-N 1 3 236.359 1.651 10 0 BDAEHO CCN[C@@H](CC[N@@H+](C)CCO)c1ccccc1 ZINC000053933773 170145326 /nfs/dbraw/zinc/14/53/26/170145326.db2.gz AEURTMITPOWWEK-AWEZNQCLSA-N 1 3 236.359 1.651 10 0 BDAEHO CC[NH2+][C@H](C)CN(CCN(C)C)CC(C)C ZINC000044472601 170157245 /nfs/dbraw/zinc/15/72/45/170157245.db2.gz YZSPSVVFGYKSLZ-CYBMUJFWSA-N 1 3 229.412 1.504 10 0 BDAEHO CC[NH2+][C@H](C)[C@@H]1CCCN([C@@H]2CCC[C@@H]2O)C1 ZINC000104420283 170158631 /nfs/dbraw/zinc/15/86/31/170158631.db2.gz UMVHJIDKZMECFY-SYQHCUMBSA-N 1 3 240.391 1.610 10 0 BDAEHO CC[C@@H]1CN(CCCC[NH2+]CCOC)CCO1 ZINC000053499156 171078459 /nfs/dbraw/zinc/07/84/59/171078459.db2.gz IJSNUUOGMOQYJW-CYBMUJFWSA-N 1 3 244.379 1.113 10 0 BDAEHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000237073748 171371651 /nfs/dbraw/zinc/37/16/51/171371651.db2.gz JZFSRKSQRGXIGF-QJPTWQEYSA-N 1 3 243.395 1.206 10 0 BDAEHO C[C@@H]1CCC[C@H](CN[C@@H]2CCC[NH2+]CC2)O1 ZINC000665264548 412206957 /nfs/dbraw/zinc/20/69/57/412206957.db2.gz BJYPFZMFWYWVCK-JHJVBQTASA-N 1 3 226.364 1.676 10 0 BDAEHO C[C@@]1(CN[C@H]2CCC[NH2+]CC2)CC1(F)F ZINC000665265009 412208514 /nfs/dbraw/zinc/20/85/14/412208514.db2.gz NTZTWAUQVOVTJO-UWVGGRQHSA-N 1 3 218.291 1.763 10 0 BDAEHO C[C@@]1(C[NH2+][C@H]2CCCNCC2)CC1(F)F ZINC000665265009 412208515 /nfs/dbraw/zinc/20/85/15/412208515.db2.gz NTZTWAUQVOVTJO-UWVGGRQHSA-N 1 3 218.291 1.763 10 0 BDAEHO CO[C@@H](CN[C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000665276158 412218436 /nfs/dbraw/zinc/21/84/36/412218436.db2.gz ZKMWSFYBJDILEC-KBPBESRZSA-N 1 3 240.391 1.923 10 0 BDAEHO CN([C@@H](C[NH3+])c1ccccc1)[C@H]1CCCN(C)C1 ZINC000053205502 173045028 /nfs/dbraw/zinc/04/50/28/173045028.db2.gz XNKULCGGURGWAX-GJZGRUSLSA-N 1 3 247.386 1.712 10 0 BDAEHO CN1C[C@H]2C[C@@]2(c2ccc(C[NH3+])cc2)C1 ZINC000238315088 173199612 /nfs/dbraw/zinc/19/96/12/173199612.db2.gz PSKOEGJEINUYCI-OLZOCXBDSA-N 1 3 202.301 1.348 10 0 BDAEHO C[NH2+]C(C)(C)CN1CCN(C(C)(C)C)CC1 ZINC000061319683 173319156 /nfs/dbraw/zinc/31/91/56/173319156.db2.gz ROSXUIQTEUYWJO-UHFFFAOYSA-N 1 3 227.396 1.401 10 0 BDAEHO C[NH2+]C[C@H](C)CN1CCCSCC1 ZINC000052371003 173375401 /nfs/dbraw/zinc/37/54/01/173375401.db2.gz QMLMXCJLCPMRNJ-JTQLQIEISA-N 1 3 202.367 1.281 10 0 BDAEHO C[NH2+]C[C@H]1CCCCN1CCN1CCCCC1 ZINC000063169164 173377845 /nfs/dbraw/zinc/37/78/45/173377845.db2.gz MEKJTRGBOXPQSH-CQSZACIVSA-N 1 3 239.407 1.546 10 0 BDAEHO CNCc1cccc(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061654314 173389546 /nfs/dbraw/zinc/38/95/46/173389546.db2.gz ITPWWRFRGWJEHA-CYBMUJFWSA-N 1 3 248.374 1.331 10 0 BDAEHO C[NH2+]Cc1ccccc1CN1CCCOCC1 ZINC000061935892 173390240 /nfs/dbraw/zinc/39/02/40/173390240.db2.gz DSNXOOOXVFWKFA-UHFFFAOYSA-N 1 3 234.343 1.628 10 0 BDAEHO C[NH2+]Cc1ccnc(OCCN2CCCC2)c1 ZINC000051548897 173391611 /nfs/dbraw/zinc/39/16/11/173391611.db2.gz LMZRYPYWPSSQMW-UHFFFAOYSA-N 1 3 235.331 1.276 10 0 BDAEHO C[NH2+][C@@H]1CCC[C@H]1N(C)C1CCN(C)CC1 ZINC000043815193 173434568 /nfs/dbraw/zinc/43/45/68/173434568.db2.gz ORCHYVGRACIXBB-CHWSQXEVSA-N 1 3 225.380 1.153 10 0 BDAEHO COc1cc([C@H](C)[NH3+])ccc1OCCN(C)C ZINC000022222651 175015313 /nfs/dbraw/zinc/01/53/13/175015313.db2.gz GYKXSJRNJVCHTA-JTQLQIEISA-N 1 3 238.331 1.655 10 0 BDAEHO COc1ccc(OCCN(C)C)c(CC[NH3+])c1 ZINC000037719981 175172826 /nfs/dbraw/zinc/17/28/26/175172826.db2.gz UPQLJWMCEPBYOC-UHFFFAOYSA-N 1 3 238.331 1.137 10 0 BDAEHO C[C@@H]1CC[N@@H+](C2CCOCC2)CCCN1 ZINC000049666365 176166650 /nfs/dbraw/zinc/16/66/50/176166650.db2.gz IGJNGTFSWGDKFP-LLVKDONJSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@@H]1CC[N@H+](C2CCOCC2)CCCN1 ZINC000049666365 176166652 /nfs/dbraw/zinc/16/66/52/176166652.db2.gz IGJNGTFSWGDKFP-LLVKDONJSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CCCn1ccnc1 ZINC000042427519 176224323 /nfs/dbraw/zinc/22/43/23/176224323.db2.gz NSKIDNQVPWKJAO-CHWSQXEVSA-N 1 3 236.363 1.332 10 0 BDAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1CCCn1ccnc1 ZINC000042427519 176224324 /nfs/dbraw/zinc/22/43/24/176224324.db2.gz NSKIDNQVPWKJAO-CHWSQXEVSA-N 1 3 236.363 1.332 10 0 BDAEHO C[C@@H]1CC[C@H](C[NH3+])CN1CCCn1ccnc1 ZINC000042427519 176224325 /nfs/dbraw/zinc/22/43/25/176224325.db2.gz NSKIDNQVPWKJAO-CHWSQXEVSA-N 1 3 236.363 1.332 10 0 BDAEHO C[C@@H]1CSC(NC2CCN(C)CC2)=[NH+]1 ZINC000035295404 176349022 /nfs/dbraw/zinc/34/90/22/176349022.db2.gz CSQSNSWEEZUSTB-MRVPVSSYSA-N 1 3 213.350 1.162 10 0 BDAEHO C[C@H](c1cnn(C)c1)N1CCC(C[NH3+])CC1 ZINC000044512401 177052378 /nfs/dbraw/zinc/05/23/78/177052378.db2.gz AHBUXIYSXKNBTE-SNVBAGLBSA-N 1 3 222.336 1.152 10 0 BDAEHO C[C@H]1CCCCN1CCC[N@@H+]1CC[C@@H](CO)C1 ZINC000101305772 177074958 /nfs/dbraw/zinc/07/49/58/177074958.db2.gz USNLPSRFNIQQTD-UONOGXRCSA-N 1 3 240.391 1.565 10 0 BDAEHO C[C@H]1CCCCN1CCC[N@H+]1CC[C@@H](CO)C1 ZINC000101305772 177074960 /nfs/dbraw/zinc/07/49/60/177074960.db2.gz USNLPSRFNIQQTD-UONOGXRCSA-N 1 3 240.391 1.565 10 0 BDAEHO C[C@@H]1CN[C@@H](C)CC[N@@H+](C2CCOCC2)C1 ZINC000049666380 177157661 /nfs/dbraw/zinc/15/76/61/177157661.db2.gz WETDZZSOPYUFHB-NEPJUHHUSA-N 1 3 226.364 1.485 10 0 BDAEHO C[C@@H]1CN[C@@H](C)CC[N@H+](C2CCOCC2)C1 ZINC000049666380 177157662 /nfs/dbraw/zinc/15/76/62/177157662.db2.gz WETDZZSOPYUFHB-NEPJUHHUSA-N 1 3 226.364 1.485 10 0 BDAEHO C[C@H]1CC[N@H+](CCc2ccccc2)CCN1 ZINC000049661496 177160168 /nfs/dbraw/zinc/16/01/68/177160168.db2.gz GUCLDWZNWJCGHV-ZDUSSCGKSA-N 1 3 218.344 1.913 10 0 BDAEHO C[C@H]1CC[N@@H+](CCc2ccccc2)CCN1 ZINC000049661496 177160170 /nfs/dbraw/zinc/16/01/70/177160170.db2.gz GUCLDWZNWJCGHV-ZDUSSCGKSA-N 1 3 218.344 1.913 10 0 BDAEHO C[C@@H]1CN(CCC[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000052764272 177249430 /nfs/dbraw/zinc/24/94/30/177249430.db2.gz KLZRNZMANCKQQR-XQQFMLRXSA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@H]1C[NH+]=C(NC[C@H]2CCCN(C)C2)S1 ZINC000044538320 177281226 /nfs/dbraw/zinc/28/12/26/177281226.db2.gz SRCNHYBCDYBNQM-VHSXEESVSA-N 1 3 227.377 1.409 10 0 BDAEHO C[C@H]1COCCN1CCC1CC[NH2+]CC1 ZINC000035776440 177290690 /nfs/dbraw/zinc/29/06/90/177290690.db2.gz RBOJJZCGKITCGY-NSHDSACASA-N 1 3 212.337 1.097 10 0 BDAEHO Cc1cccc(OCCN[C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400435505 226343448 /nfs/dbraw/zinc/34/34/48/226343448.db2.gz LCRMZRAZUNWVKM-UONOGXRCSA-N 1 3 248.370 1.961 10 0 BDAEHO C[C@H](NCCN1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400591920 226347900 /nfs/dbraw/zinc/34/79/00/226347900.db2.gz UOOYVGNVOUEOQJ-STQMWFEESA-N 1 3 225.380 1.060 10 0 BDAEHO CO[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400721346 226350621 /nfs/dbraw/zinc/35/06/21/226350621.db2.gz ONTQVTPYOSYLJR-SDDRHHMPSA-N 1 3 214.353 1.245 10 0 BDAEHO CC[C@H](O)CC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000566555656 323004868 /nfs/dbraw/zinc/00/48/68/323004868.db2.gz HHSTZZZSDOQOFC-UTUOFQBUSA-N 1 3 214.353 1.125 10 0 BDAEHO CC[C@H](O)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566555656 323004869 /nfs/dbraw/zinc/00/48/69/323004869.db2.gz HHSTZZZSDOQOFC-UTUOFQBUSA-N 1 3 214.353 1.125 10 0 BDAEHO CO[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000562956982 323035091 /nfs/dbraw/zinc/03/50/91/323035091.db2.gz DQTPEZOMEBKYMZ-CYZMBNFOSA-N 1 3 226.364 1.389 10 0 BDAEHO CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)C1CC1 ZINC000562956982 323035092 /nfs/dbraw/zinc/03/50/92/323035092.db2.gz DQTPEZOMEBKYMZ-CYZMBNFOSA-N 1 3 226.364 1.389 10 0 BDAEHO C[C@H](NC[C@@H](O)C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000562957166 323035151 /nfs/dbraw/zinc/03/51/51/323035151.db2.gz SHZHLUBXNCDHKN-CYZMBNFOSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H]([NH2+]C[C@@H](O)C1CCC1)[C@@H]1CCCNC1 ZINC000562957166 323035152 /nfs/dbraw/zinc/03/51/52/323035152.db2.gz SHZHLUBXNCDHKN-CYZMBNFOSA-N 1 3 226.364 1.125 10 0 BDAEHO CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCCNC2)C1(C)C ZINC000562958363 323035213 /nfs/dbraw/zinc/03/52/13/323035213.db2.gz CGUJUMQQLUUZJC-MROQNXINSA-N 1 3 240.391 1.778 10 0 BDAEHO CO[C@@H]1C[C@H](N[C@H](C)[C@H]2CCC[NH2+]C2)C1(C)C ZINC000562958363 323035214 /nfs/dbraw/zinc/03/52/14/323035214.db2.gz CGUJUMQQLUUZJC-MROQNXINSA-N 1 3 240.391 1.778 10 0 BDAEHO COCCCCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000562958355 323035269 /nfs/dbraw/zinc/03/52/69/323035269.db2.gz AYMKCRWYYAUHQF-OLZOCXBDSA-N 1 3 228.380 1.781 10 0 BDAEHO C[C@@H](NCCN1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000570507932 323061612 /nfs/dbraw/zinc/06/16/12/323061612.db2.gz UUHORMSPDROIBN-KGLIPLIRSA-N 1 3 237.391 1.226 10 0 BDAEHO CSCCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000572510443 324136877 /nfs/dbraw/zinc/13/68/77/324136877.db2.gz JGRMGCGWTGQYJO-QWRGUYRKSA-N 1 3 216.394 1.717 10 0 BDAEHO C[C@H]([NH2+][C@H](CO)C1CCCCC1)C1CNC1 ZINC000566555622 326063424 /nfs/dbraw/zinc/06/34/24/326063424.db2.gz BZCMYRVYNPCPMF-GXFFZTMASA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](N[C@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000566555622 326063425 /nfs/dbraw/zinc/06/34/25/326063425.db2.gz BZCMYRVYNPCPMF-GXFFZTMASA-N 1 3 226.364 1.125 10 0 BDAEHO COC[C@@H](C)NCC[C@H]1CCCC[N@@H+]1C ZINC000049799936 488027474 /nfs/dbraw/zinc/02/74/74/488027474.db2.gz JBUFIYIOIDQKNW-VXGBXAGGSA-N 1 3 214.353 1.485 10 0 BDAEHO COC[C@@H](C)NCC[C@H]1CCCC[N@H+]1C ZINC000049799936 488027481 /nfs/dbraw/zinc/02/74/81/488027481.db2.gz JBUFIYIOIDQKNW-VXGBXAGGSA-N 1 3 214.353 1.485 10 0 BDAEHO CC(C)[C@@H](C)[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000304507656 487508317 /nfs/dbraw/zinc/50/83/17/487508317.db2.gz DBWWZNDKKOHXQP-CHWSQXEVSA-N 1 3 225.380 1.010 10 0 BDAEHO CC(C)[C@@H](C)[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000304507656 487508324 /nfs/dbraw/zinc/50/83/24/487508324.db2.gz DBWWZNDKKOHXQP-CHWSQXEVSA-N 1 3 225.380 1.010 10 0 BDAEHO C[NH2+][C@@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000054076157 488206141 /nfs/dbraw/zinc/20/61/41/488206141.db2.gz HBYDNOYEHUIGGT-WCQYABFASA-N 1 3 249.358 1.013 10 0 BDAEHO CCC[C@@H]1CCOC2(CCN(C)CC2)[NH2+]1 ZINC000757150526 582534497 /nfs/dbraw/zinc/53/44/97/582534497.db2.gz YTZJTYRBDPNLRG-LLVKDONJSA-N 1 3 212.337 1.587 10 0 BDAEHO C[C@H](NCCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400444302 533873419 /nfs/dbraw/zinc/87/34/19/533873419.db2.gz PEMIAPLNVVDKOQ-JSGCOSHPSA-N 1 3 218.344 1.817 10 0 BDAEHO C[C@H](NC[C@H]1CCCCO1)[C@@H]1CC[NH2+]C1 ZINC000400456601 533905404 /nfs/dbraw/zinc/90/54/04/533905404.db2.gz QEALQUYKCRYCAJ-QJPTWQEYSA-N 1 3 212.337 1.143 10 0 BDAEHO COc1ccccc1CCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400486751 534047220 /nfs/dbraw/zinc/04/72/20/534047220.db2.gz XSLQUXZMQBIBIN-JSGCOSHPSA-N 1 3 248.370 1.825 10 0 BDAEHO CC(C)COCCCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400722224 528095208 /nfs/dbraw/zinc/09/52/08/528095208.db2.gz OUPTWPGEWCXLBH-QWHCGFSZSA-N 1 3 228.380 1.637 10 0 BDAEHO CCC[C@H](CCO)CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400709314 528125562 /nfs/dbraw/zinc/12/55/62/528125562.db2.gz LVTCVQNOFFDDCP-YNEHKIRRSA-N 1 3 228.380 1.373 10 0 BDAEHO CCC[C@H](CCO)CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400709311 528126052 /nfs/dbraw/zinc/12/60/52/528126052.db2.gz LVTCVQNOFFDDCP-UPJWGTAASA-N 1 3 228.380 1.373 10 0 BDAEHO CCC[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)OC ZINC000400356863 528154442 /nfs/dbraw/zinc/15/44/42/528154442.db2.gz AUJHEZJGOHKVQF-SDDRHHMPSA-N 1 3 214.353 1.389 10 0 BDAEHO CC(C)CSCCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400466929 528226642 /nfs/dbraw/zinc/22/66/42/528226642.db2.gz WHORPRQFAJPTEH-NWDGAFQWSA-N 1 3 230.421 1.963 10 0 BDAEHO CCOCC(C)(C)CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400769761 528569253 /nfs/dbraw/zinc/56/92/53/528569253.db2.gz ZVNWEWPGOCYCNS-RYUDHWBXSA-N 1 3 228.380 1.637 10 0 BDAEHO CCC(CC)(CO)CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400747433 528707847 /nfs/dbraw/zinc/70/78/47/528707847.db2.gz UTUGANCAHLESMO-NEPJUHHUSA-N 1 3 228.380 1.373 10 0 BDAEHO CCC(O)(CC)CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400336799 528975327 /nfs/dbraw/zinc/97/53/27/528975327.db2.gz DNUXVMHXSBENIX-WDEREUQCSA-N 1 3 214.353 1.125 10 0 BDAEHO CCOC[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400732502 528993903 /nfs/dbraw/zinc/99/39/03/528993903.db2.gz QYNFDZUMEHJDPP-XQQFMLRXSA-N 1 3 228.380 1.635 10 0 BDAEHO CC(C)N1CCN([C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396718808 583089199 /nfs/dbraw/zinc/08/91/99/583089199.db2.gz PMGJPXKZHHFJKA-QWHCGFSZSA-N 1 3 225.380 1.153 10 0 BDAEHO CC(=O)c1cccc([C@H]2CNC[C@@H](C[NH3+])C2)c1 ZINC000757212328 586439657 /nfs/dbraw/zinc/43/96/57/586439657.db2.gz IIKGPQHBOVZNIF-BXUZGUMPSA-N 1 3 232.327 1.541 10 0 BDAEHO CC(=O)c1cccc([C@H]2C[NH2+]C[C@@H](CN)C2)c1 ZINC000757212328 586439659 /nfs/dbraw/zinc/43/96/59/586439659.db2.gz IIKGPQHBOVZNIF-BXUZGUMPSA-N 1 3 232.327 1.541 10 0 BDAEHO CC(=O)c1ccc([C@@H]2C[NH2+]C[C@H](CN)C2)cc1 ZINC000757214176 586440429 /nfs/dbraw/zinc/44/04/29/586440429.db2.gz LNCOSNKVFZMPIU-FZMZJTMJSA-N 1 3 232.327 1.541 10 0 BDAEHO CC(=O)c1ccc([C@@H]2CNC[C@H](C[NH3+])C2)cc1 ZINC000757214176 586440431 /nfs/dbraw/zinc/44/04/31/586440431.db2.gz LNCOSNKVFZMPIU-FZMZJTMJSA-N 1 3 232.327 1.541 10 0 BDAEHO [NH3+]C[C@H]1CCN[C@H](c2ccc(C=O)s2)C1 ZINC000757218141 586441553 /nfs/dbraw/zinc/44/15/53/586441553.db2.gz UCXXZXRPNIWGCD-WPRPVWTQSA-N 1 3 224.329 1.560 10 0 BDAEHO Cc1ccc(N)cc1[C@H]1CC[C@@H](C[NH3+])CN1 ZINC000757235809 586443924 /nfs/dbraw/zinc/44/39/24/586443924.db2.gz MWODRRQIXXHZIW-GXFFZTMASA-N 1 3 219.332 1.577 10 0 BDAEHO Cc1ccc(N)cc1[C@H]1CCN[C@@H](C[NH3+])C1 ZINC000757239494 586444216 /nfs/dbraw/zinc/44/42/16/586444216.db2.gz UKMJQEHCVUGBCN-CMPLNLGQSA-N 1 3 219.332 1.372 10 0 BDAEHO COC[C@H](C)CN1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757132707 643258124 /nfs/dbraw/zinc/25/81/24/643258124.db2.gz RPUHSDKTTIIYPQ-MJBXVCDLSA-N 1 3 240.391 1.733 10 0 BDAEHO C(NC1CC[NH2+]CC1)[C@H]1CC[C@H](C2CC2)O1 ZINC000722312386 711734746 /nfs/dbraw/zinc/73/47/46/711734746.db2.gz KUMWMRSDBFXJST-CHWSQXEVSA-N 1 3 224.348 1.286 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@H]1CC[C@H](C2CC2)O1 ZINC000722312386 711734748 /nfs/dbraw/zinc/73/47/48/711734748.db2.gz KUMWMRSDBFXJST-CHWSQXEVSA-N 1 3 224.348 1.286 10 0 BDAEHO CCC1([NH3+])CCN([C@@H](C)[C@H]2CCCO2)CC1 ZINC000714754879 712497620 /nfs/dbraw/zinc/49/76/20/712497620.db2.gz YWYVVNNOTHXWLI-NWDGAFQWSA-N 1 3 226.364 1.757 10 0 BDAEHO C(NC1CC[NH2+]CC1)[C@H]1CC[C@@H](C2CC2)O1 ZINC000722312389 711734534 /nfs/dbraw/zinc/73/45/34/711734534.db2.gz KUMWMRSDBFXJST-OLZOCXBDSA-N 1 3 224.348 1.286 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@H]1CC[C@@H](C2CC2)O1 ZINC000722312389 711734538 /nfs/dbraw/zinc/73/45/38/711734538.db2.gz KUMWMRSDBFXJST-OLZOCXBDSA-N 1 3 224.348 1.286 10 0 BDAEHO C[C@H](NC[C@@H]1CCC(C)(C)CO1)[C@H]1CC[NH2+]C1 ZINC000711248899 712291379 /nfs/dbraw/zinc/29/13/79/712291379.db2.gz JNWSUMCVKZNQGJ-AVGNSLFASA-N 1 3 240.391 1.779 10 0 BDAEHO CCC1([NH3+])CCN([C@H](C)[C@H]2CCCO2)CC1 ZINC000714754882 712497731 /nfs/dbraw/zinc/49/77/31/712497731.db2.gz YWYVVNNOTHXWLI-VXGBXAGGSA-N 1 3 226.364 1.757 10 0 BDAEHO [NH3+]C[C@@H]1CCCN1CC[C@@H]1C[C@H]1C1CC1 ZINC000714783407 712498493 /nfs/dbraw/zinc/49/84/93/712498493.db2.gz SHZZMFDMTHAGRQ-AGIUHOORSA-N 1 3 208.349 1.846 10 0 BDAEHO NC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720788255 712865373 /nfs/dbraw/zinc/86/53/73/712865373.db2.gz IUZIJSBIPIDZJG-VOAKCMCISA-N 1 3 224.348 1.367 10 0 BDAEHO NC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720788255 712865374 /nfs/dbraw/zinc/86/53/74/712865374.db2.gz IUZIJSBIPIDZJG-VOAKCMCISA-N 1 3 224.348 1.367 10 0 BDAEHO CC(C)N1CC[C@@H]([NH3+])[C@]12CCCSC2 ZINC000685952683 538896825 /nfs/dbraw/zinc/89/68/25/538896825.db2.gz CBPPPMBIHPJTRS-GHMZBOCLSA-N 1 3 214.378 1.694 10 0 BDAEHO CCCN1CC[C@@H]([NH3+])C12CCSCC2 ZINC000606282895 538929661 /nfs/dbraw/zinc/92/96/61/538929661.db2.gz FPBIGKVTAPOQBA-SNVBAGLBSA-N 1 3 214.378 1.695 10 0 BDAEHO CCC(CC)[N@H+](C)C1(CN)CCN(CC)CC1 ZINC000036788768 168367128 /nfs/dbraw/zinc/36/71/28/168367128.db2.gz CJYMVMLIGNTBES-UHFFFAOYSA-N 1 3 241.423 1.920 10 0 BDAEHO CCC(CC)[N@@H+](C)C1(CN)CCN(CC)CC1 ZINC000036788768 168367131 /nfs/dbraw/zinc/36/71/31/168367131.db2.gz CJYMVMLIGNTBES-UHFFFAOYSA-N 1 3 241.423 1.920 10 0 BDAEHO C[C@H]([NH2+]CCCCF)[C@H]1CCCNC1 ZINC000566088833 398253488 /nfs/dbraw/zinc/25/34/88/398253488.db2.gz VMYWBYMRGGJKEZ-QWRGUYRKSA-N 1 3 202.317 1.714 10 0 BDAEHO FC1(F)CCCC[C@@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381701288 398254760 /nfs/dbraw/zinc/25/47/60/398254760.db2.gz OVBIAVFMWYLHQJ-GRYCIOLGSA-N 1 3 244.329 1.963 10 0 BDAEHO FC1(F)CCCC[C@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381701293 398270234 /nfs/dbraw/zinc/27/02/34/398270234.db2.gz OVBIAVFMWYLHQJ-TUAOUCFPSA-N 1 3 244.329 1.963 10 0 BDAEHO C[C@](N)(C[NH3+])CCOCc1ccccc1 ZINC000143964338 342691193 /nfs/dbraw/zinc/69/11/93/342691193.db2.gz VFAPWFGSMRBOKK-GFCCVEGCSA-N 1 3 208.305 1.269 10 0 BDAEHO c1ccc2c(c1)C[C@@H]2C[NH2+]C1CCNCC1 ZINC000038041447 398335756 /nfs/dbraw/zinc/33/57/56/398335756.db2.gz DVLNXSDQLSWZPM-GFCCVEGCSA-N 1 3 216.328 1.668 10 0 BDAEHO c1ccc2c(c1)C[C@@H]2CNC1CC[NH2+]CC1 ZINC000038041447 398335757 /nfs/dbraw/zinc/33/57/57/398335757.db2.gz DVLNXSDQLSWZPM-GFCCVEGCSA-N 1 3 216.328 1.668 10 0 BDAEHO C[C@H](NCCc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000580312132 346893287 /nfs/dbraw/zinc/89/32/87/346893287.db2.gz PAOIPFJALVXHIZ-JSGCOSHPSA-N 1 3 233.359 1.602 10 0 BDAEHO C[C@H]([NH2+]CCc1ccncc1)[C@H]1CCCNC1 ZINC000580312132 346893289 /nfs/dbraw/zinc/89/32/89/346893289.db2.gz PAOIPFJALVXHIZ-JSGCOSHPSA-N 1 3 233.359 1.602 10 0 BDAEHO COC(C)(C)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000159220800 349757080 /nfs/dbraw/zinc/75/70/80/349757080.db2.gz SEQKNTNBLZLMAD-VHSXEESVSA-N 1 3 200.326 1.223 10 0 BDAEHO C[N@H+]([C@@H]1CCSC1)C1CCNCC1 ZINC000043501203 343780918 /nfs/dbraw/zinc/78/09/18/343780918.db2.gz RNWKFQHQUFJJKZ-SNVBAGLBSA-N 1 3 200.351 1.176 10 0 BDAEHO C[N@@H+]([C@@H]1CCSC1)C1CCNCC1 ZINC000043501203 343780919 /nfs/dbraw/zinc/78/09/19/343780919.db2.gz RNWKFQHQUFJJKZ-SNVBAGLBSA-N 1 3 200.351 1.176 10 0 BDAEHO CN([C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC000043501203 343780920 /nfs/dbraw/zinc/78/09/20/343780920.db2.gz RNWKFQHQUFJJKZ-SNVBAGLBSA-N 1 3 200.351 1.176 10 0 BDAEHO C[C@@H]1C[C@@H](NC2=[NH+]CCS2)CCN1C ZINC000158710900 344730334 /nfs/dbraw/zinc/73/03/34/344730334.db2.gz LMCODEDACMHMAB-BDAKNGLRSA-N 1 3 213.350 1.162 10 0 BDAEHO C[C@H]1SCC[C@]1(C[NH3+])N1CCCC1 ZINC000235665500 344974407 /nfs/dbraw/zinc/97/44/07/344974407.db2.gz AAKJVOSNXWLKGZ-NXEZZACHSA-N 1 3 200.351 1.305 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000307214520 345239956 /nfs/dbraw/zinc/23/99/56/345239956.db2.gz RUUVAZTZMDLPIK-UTLUCORTSA-N 1 3 214.378 1.740 10 0 BDAEHO C([NH2+][C@@H]1CCCC12CC2)[C@@H]1CCCNC1 ZINC000634998654 345198547 /nfs/dbraw/zinc/19/85/47/345198547.db2.gz JDFAICYFLKSVOO-VXGBXAGGSA-N 1 3 208.349 1.908 10 0 BDAEHO COC1(C[N@@H+]2C[C@H](C)[C@H](CN)C2)CCCC1 ZINC000634998289 345198576 /nfs/dbraw/zinc/19/85/76/345198576.db2.gz CYQZLRRFPCUXBB-NWDGAFQWSA-N 1 3 226.364 1.472 10 0 BDAEHO COC1(C[N@H+]2C[C@H](C)[C@H](CN)C2)CCCC1 ZINC000634998289 345198579 /nfs/dbraw/zinc/19/85/79/345198579.db2.gz CYQZLRRFPCUXBB-NWDGAFQWSA-N 1 3 226.364 1.472 10 0 BDAEHO COCC(C)(C)C[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000634999391 345199935 /nfs/dbraw/zinc/19/99/35/345199935.db2.gz UBAFIQWGPWAOTP-MNOVXSKESA-N 1 3 214.353 1.186 10 0 BDAEHO COCC(C)(C)C[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000634999391 345199937 /nfs/dbraw/zinc/19/99/37/345199937.db2.gz UBAFIQWGPWAOTP-MNOVXSKESA-N 1 3 214.353 1.186 10 0 BDAEHO CCC[C@@H](CCO)[NH2+][C@@H]1CCCNCC1 ZINC000635003028 345205861 /nfs/dbraw/zinc/20/58/61/345205861.db2.gz FBDFBXGNLQJUTD-NWDGAFQWSA-N 1 3 214.353 1.269 10 0 BDAEHO CCC[C@H](CCO)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000635006066 345210484 /nfs/dbraw/zinc/21/04/84/345210484.db2.gz XHXXUCILHQWPIQ-GRYCIOLGSA-N 1 3 214.353 1.125 10 0 BDAEHO CC[C@H]1CN(Cc2ccccc2)CC[C@@]1(O)C[NH3+] ZINC000307700345 345904082 /nfs/dbraw/zinc/90/40/82/345904082.db2.gz LWSCMQGDXGIKOZ-LSDHHAIUSA-N 1 3 248.370 1.608 10 0 BDAEHO COCCCN[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241366 537979146 /nfs/dbraw/zinc/97/91/46/537979146.db2.gz DXJJSZAFPLDZGD-NEPJUHHUSA-N 1 3 212.337 1.239 10 0 BDAEHO COCCCN[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000725241366 537979152 /nfs/dbraw/zinc/97/91/52/537979152.db2.gz DXJJSZAFPLDZGD-NEPJUHHUSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@@H]1CN([C@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000251736601 362902264 /nfs/dbraw/zinc/90/22/64/362902264.db2.gz KPEOYBKZSKYBFZ-UTLUCORTSA-N 1 3 200.351 1.161 10 0 BDAEHO CCSC1(CN[C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000596653604 348606751 /nfs/dbraw/zinc/60/67/51/348606751.db2.gz WGAFDCLSLGPWEG-WDEREUQCSA-N 1 3 228.405 1.860 10 0 BDAEHO Cc1nccc(CN[C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000038037590 180191487 /nfs/dbraw/zinc/19/14/87/180191487.db2.gz JRFBHXAVXSVTRK-NSHDSACASA-N 1 3 248.374 1.605 10 0 BDAEHO Cc1nccn1CCN(CCC(N)=[NH2+])C(C)C ZINC000042529814 180252461 /nfs/dbraw/zinc/25/24/61/180252461.db2.gz PKTRUGIHBGJOSB-UHFFFAOYSA-N 1 3 237.351 1.228 10 0 BDAEHO [NH3+]Cc1ccc2c(c1)CN(CC1CC1)CCO2 ZINC000409424031 350475856 /nfs/dbraw/zinc/47/58/56/350475856.db2.gz WRWGKEYPQRLGJR-UHFFFAOYSA-N 1 3 232.327 1.750 10 0 BDAEHO COC1(C)CC[NH+]([C@@H](C)[C@H](C)N)CC1 ZINC000306803349 351057591 /nfs/dbraw/zinc/05/75/91/351057591.db2.gz AHENBRRGQBGHPT-UWVGGRQHSA-N 1 3 200.326 1.223 10 0 BDAEHO CN(Cc1ccccc1)[C@H]1CC[C@@]([NH3+])(CO)C1 ZINC000307159219 351509704 /nfs/dbraw/zinc/50/97/04/351509704.db2.gz UEIFDFMSGWKHLX-KBPBESRZSA-N 1 3 234.343 1.361 10 0 BDAEHO C[C@H]1SCC[C@@H]1N(C)C1CC([NH3+])C1 ZINC000307245277 351753423 /nfs/dbraw/zinc/75/34/23/351753423.db2.gz MBGQGVJQQGZIQM-WOOKNIGNSA-N 1 3 200.351 1.302 10 0 BDAEHO FC1(F)CC[C@@H](NC[C@@H]2CC[NH2+]C2)C1 ZINC000307286741 351849976 /nfs/dbraw/zinc/84/99/76/351849976.db2.gz RWTRBGHJNHBQJO-RKDXNWHRSA-N 1 3 204.264 1.373 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[N@@H+]1CCC[C@H](N)C1 ZINC000300352630 352559709 /nfs/dbraw/zinc/55/97/09/352559709.db2.gz NQUUWWUYQZIXLO-GUBZILKMSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[N@H+]1CCC[C@H](N)C1 ZINC000300352630 352559711 /nfs/dbraw/zinc/55/97/11/352559711.db2.gz NQUUWWUYQZIXLO-GUBZILKMSA-N 1 3 200.351 1.304 10 0 BDAEHO COC1CCC(C2=C[C@@H]([NH3+])CNC2)CC1 ZINC000675078485 538515917 /nfs/dbraw/zinc/51/59/17/538515917.db2.gz QBSWTOVRXYUKSZ-CKBZRRDASA-N 1 3 210.321 1.049 10 0 BDAEHO COCC1(C[NH2+][C@H]2CCCNCC2)CC1 ZINC000656200487 538784942 /nfs/dbraw/zinc/78/49/42/538784942.db2.gz NPLQQCBAPSTKOA-NSHDSACASA-N 1 3 212.337 1.145 10 0 BDAEHO C[C@@H](NCCOCC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000583687483 357119814 /nfs/dbraw/zinc/11/98/14/357119814.db2.gz FVHLOAPFJHFTEH-DGCLKSJQSA-N 1 3 226.364 1.391 10 0 BDAEHO C[C@@H]([NH2+]CCOCC1CC1)[C@@H]1CCCNC1 ZINC000583687483 357119818 /nfs/dbraw/zinc/11/98/18/357119818.db2.gz FVHLOAPFJHFTEH-DGCLKSJQSA-N 1 3 226.364 1.391 10 0 BDAEHO COC[C@@H](C)C[N@H+](C)[C@@H]1CCCNCC1 ZINC000226451523 358340054 /nfs/dbraw/zinc/34/00/54/358340054.db2.gz IPGWCSUFAGNMFG-NWDGAFQWSA-N 1 3 214.353 1.343 10 0 BDAEHO COC[C@@H](C)C[N@@H+](C)[C@@H]1CCCNCC1 ZINC000226451523 358340057 /nfs/dbraw/zinc/34/00/57/358340057.db2.gz IPGWCSUFAGNMFG-NWDGAFQWSA-N 1 3 214.353 1.343 10 0 BDAEHO C[C@@H]1CNCC[C@@H]1[N@@H+]1CCSC[C@@H]1C ZINC000306532671 360392421 /nfs/dbraw/zinc/39/24/21/360392421.db2.gz BZMUPNAIEDWXFZ-VWYCJHECSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@@H]1CNCC[C@@H]1[N@H+]1CCSC[C@@H]1C ZINC000306532671 360392424 /nfs/dbraw/zinc/39/24/24/360392424.db2.gz BZMUPNAIEDWXFZ-VWYCJHECSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)[C@H]1CCCNC1 ZINC000578979055 366684368 /nfs/dbraw/zinc/68/43/68/366684368.db2.gz LHVCJIRJOAHCRI-GMXVVIOVSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](NC[C@@](C)(O)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000578979055 366684372 /nfs/dbraw/zinc/68/43/72/366684372.db2.gz LHVCJIRJOAHCRI-GMXVVIOVSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H]([NH2+]CCC[C@@H]1CCOC1)[C@H]1CCCNC1 ZINC000579342244 366761928 /nfs/dbraw/zinc/76/19/28/366761928.db2.gz ZDWBVOHAUYWEEP-MJBXVCDLSA-N 1 3 240.391 1.781 10 0 BDAEHO NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCn1ccnc1 ZINC000054629584 181345119 /nfs/dbraw/zinc/34/51/19/181345119.db2.gz QBRSUPSBTKQRKR-AGUYFDCRSA-N 1 3 248.374 1.617 10 0 BDAEHO NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCn1ccnc1 ZINC000054629584 181345121 /nfs/dbraw/zinc/34/51/21/181345121.db2.gz QBRSUPSBTKQRKR-AGUYFDCRSA-N 1 3 248.374 1.617 10 0 BDAEHO C[C@@H]1[C@H]2C[NH2+]C[C@H]2CN1Cc1ccccc1 ZINC000252554216 363892571 /nfs/dbraw/zinc/89/25/71/363892571.db2.gz HEJHVNANPCGZAN-KWCYVHTRSA-N 1 3 216.328 1.726 10 0 BDAEHO CC1CCN([C@@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264550 541337441 /nfs/dbraw/zinc/33/74/41/541337441.db2.gz VIBHMFLHLRZEHD-QWHCGFSZSA-N 1 3 238.375 1.615 10 0 BDAEHO NCC(C[NH3+])c1ccc(Br)cc1 ZINC000071533886 181357492 /nfs/dbraw/zinc/35/74/92/181357492.db2.gz CITKPQWLVNUTDE-UHFFFAOYSA-N 1 3 229.121 1.450 10 0 BDAEHO [NH3+]CC1(CN2CCCOCC2)CCCC1 ZINC000061934583 181359012 /nfs/dbraw/zinc/35/90/12/181359012.db2.gz VFEUSAVQIXTOPS-UHFFFAOYSA-N 1 3 212.337 1.228 10 0 BDAEHO NCC1(C[N@@H+]2CCCOCC2)CCCC1 ZINC000061934583 181359013 /nfs/dbraw/zinc/35/90/13/181359013.db2.gz VFEUSAVQIXTOPS-UHFFFAOYSA-N 1 3 212.337 1.228 10 0 BDAEHO NCC1(C[N@H+]2CCCOCC2)CCCC1 ZINC000061934583 181359015 /nfs/dbraw/zinc/35/90/15/181359015.db2.gz VFEUSAVQIXTOPS-UHFFFAOYSA-N 1 3 212.337 1.228 10 0 BDAEHO C[C@H](F)CC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000573830811 364926802 /nfs/dbraw/zinc/92/68/02/364926802.db2.gz CIBMVDYSMZREAX-GARJFASQSA-N 1 3 202.317 1.712 10 0 BDAEHO [NH3+]CCCN(Cc1cccnc1)c1ccncc1 ZINC000019813349 181379523 /nfs/dbraw/zinc/37/95/23/181379523.db2.gz GWAAYWLUKZFVSW-UHFFFAOYSA-N 1 3 242.326 1.832 10 0 BDAEHO [NH3+]C[C@H]1CNC[C@H](COc2ccccc2)C1 ZINC000038458044 368326741 /nfs/dbraw/zinc/32/67/41/368326741.db2.gz RPHGNNWPPGODRX-NWDGAFQWSA-N 1 3 220.316 1.250 10 0 BDAEHO NC[C@H]1C[NH2+]C[C@H](COc2ccccc2)C1 ZINC000038458044 368326746 /nfs/dbraw/zinc/32/67/46/368326746.db2.gz RPHGNNWPPGODRX-NWDGAFQWSA-N 1 3 220.316 1.250 10 0 BDAEHO CC[NH2+]CCOCCNCc1ccccc1 ZINC000167453853 368396400 /nfs/dbraw/zinc/39/64/00/368396400.db2.gz ZVEZCZRVAJRQGS-UHFFFAOYSA-N 1 3 222.332 1.402 10 0 BDAEHO C[C@H](CN1CCS[C@H](C)[C@@H]1C)C(N)=[NH2+] ZINC000253080386 368472654 /nfs/dbraw/zinc/47/26/54/368472654.db2.gz VKMLZBJAIIZLSM-HRDYMLBCSA-N 1 3 215.366 1.384 10 0 BDAEHO CO[C@H](CN1C[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000631836833 369085082 /nfs/dbraw/zinc/08/50/82/369085082.db2.gz HQWKNAMIYXMLGD-VHDGCEQUSA-N 1 3 248.370 1.901 10 0 BDAEHO C[C@H](c1ccccn1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838149 369118547 /nfs/dbraw/zinc/11/85/47/369118547.db2.gz JOGYLPHSCQKIFH-UTUOFQBUSA-N 1 3 219.332 1.669 10 0 BDAEHO CC(C)CCOCCN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631841833 369358826 /nfs/dbraw/zinc/35/88/26/369358826.db2.gz QPKXXJWCSCLMEJ-QWHCGFSZSA-N 1 3 228.380 1.576 10 0 BDAEHO C[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)CN1CCCC1 ZINC000310264331 370330525 /nfs/dbraw/zinc/33/05/25/370330525.db2.gz MHFTUYHTUFVSLW-STQMWFEESA-N 1 3 242.407 1.715 10 0 BDAEHO C[C@@H](CNC[C@H](O)C(C)(C)C)C[NH+]1CCCC1 ZINC000310264331 370330533 /nfs/dbraw/zinc/33/05/33/370330533.db2.gz MHFTUYHTUFVSLW-STQMWFEESA-N 1 3 242.407 1.715 10 0 BDAEHO CC(C)[NH2+]CCOc1ccc2c(c1)CNC2 ZINC000113591874 370438967 /nfs/dbraw/zinc/43/89/67/370438967.db2.gz CIRXQTHQMHGJDG-UHFFFAOYSA-N 1 3 220.316 1.667 10 0 BDAEHO Cc1ncsc1CCN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840330 372636358 /nfs/dbraw/zinc/63/63/58/372636358.db2.gz RMXGIDPUNDRNSU-GXSJLCMTSA-N 1 3 239.388 1.521 10 0 BDAEHO CCCN(CCN(C)C)[C@@H](C[NH2+]CC)C(C)C ZINC000052544096 169158280 /nfs/dbraw/zinc/15/82/80/169158280.db2.gz DJZQWRHTHIQYQS-AWEZNQCLSA-N 1 3 243.439 1.894 10 0 BDAEHO CCCN(CCN(C)C)C[C@@]1(CC)CC[NH2+]C1 ZINC000062912210 169158640 /nfs/dbraw/zinc/15/86/40/169158640.db2.gz GIOVJQFMGGDHGY-AWEZNQCLSA-N 1 3 241.423 1.650 10 0 BDAEHO CCCN1CCN(CC[C@@H](C)[NH2+]C)CC1 ZINC000043805412 169203072 /nfs/dbraw/zinc/20/30/72/169203072.db2.gz JFXBFXXPFRGOFA-GFCCVEGCSA-N 1 3 213.369 1.012 10 0 BDAEHO CCC[NH2+]CCCN1CCN([C@@H](C)CC)CC1 ZINC000055069215 169257510 /nfs/dbraw/zinc/25/75/10/169257510.db2.gz LLKPEOCGIDCZGE-AWEZNQCLSA-N 1 3 241.423 1.792 10 0 BDAEHO CCC[NH2+][C@H](C)[C@@H](C)N1CCN(CCC)CC1 ZINC000043805683 169285923 /nfs/dbraw/zinc/28/59/23/169285923.db2.gz FRGOUORTRKZJSX-ZIAGYGMSSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+]C[C@H]1CC[C@H](COCCN(C)C)O1 ZINC000052669851 169264552 /nfs/dbraw/zinc/26/45/52/169264552.db2.gz AJLSMPHHPIPJDX-CHWSQXEVSA-N 1 3 244.379 1.112 10 0 BDAEHO CCC[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000051548741 169267823 /nfs/dbraw/zinc/26/78/23/169267823.db2.gz BKHZBWCXDVLGNH-UHFFFAOYSA-N 1 3 237.347 1.522 10 0 BDAEHO CCC[NH2+][C@@H]1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000053875913 169282233 /nfs/dbraw/zinc/28/22/33/169282233.db2.gz FUNVITOQECLYRL-MGPQQGTHSA-N 1 3 240.391 1.611 10 0 BDAEHO CCC[NH2+][C@@H]1CCN(C2CCOCC2)C[C@@H]1C ZINC000049711411 169282434 /nfs/dbraw/zinc/28/24/34/169282434.db2.gz OLCYMYXCSWMMLW-GXTWGEPZSA-N 1 3 240.391 1.875 10 0 BDAEHO CCOCCN[C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000036908720 383920987 /nfs/dbraw/zinc/92/09/87/383920987.db2.gz BOMXMNITEGNHQL-TUAOUCFPSA-N 1 3 214.353 1.341 10 0 BDAEHO CCOCCN[C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000036908720 383920994 /nfs/dbraw/zinc/92/09/94/383920994.db2.gz BOMXMNITEGNHQL-TUAOUCFPSA-N 1 3 214.353 1.341 10 0 BDAEHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCN)C12CCC2 ZINC000336734012 385652968 /nfs/dbraw/zinc/65/29/68/385652968.db2.gz GZPVGQBXZSLYTQ-GMTAPVOTSA-N 1 3 212.337 1.128 10 0 BDAEHO CO[C@@H]1[C@H](C)[C@@H](NCCC[NH3+])C12CCC2 ZINC000336734012 385652974 /nfs/dbraw/zinc/65/29/74/385652974.db2.gz GZPVGQBXZSLYTQ-GMTAPVOTSA-N 1 3 212.337 1.128 10 0 BDAEHO C[C@H](C[NH2+]C1CCNCC1)CC(F)F ZINC000647800680 385809950 /nfs/dbraw/zinc/80/99/50/385809950.db2.gz IUCKIBXOGVAPME-QMMMGPOBSA-N 1 3 206.280 1.619 10 0 BDAEHO [NH3+][C@@H]1CC[C@@H]2CN(C[C@H]3CCCCO3)C[C@@H]12 ZINC000309405456 386008185 /nfs/dbraw/zinc/00/81/85/386008185.db2.gz VWBOUHQPOBLXMQ-FDYHWXHSSA-N 1 3 224.348 1.225 10 0 BDAEHO CC(C)C[C@@H](CNC1CC[NH2+]CC1)N(C)C ZINC000038040777 386118064 /nfs/dbraw/zinc/11/80/64/386118064.db2.gz DBCWZSBCSLBQIQ-ZDUSSCGKSA-N 1 3 227.396 1.304 10 0 BDAEHO CN(C[C@@H](O)C(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336721313 386453072 /nfs/dbraw/zinc/45/30/72/386453072.db2.gz XRKZAEXRZSVLCL-CHWSQXEVSA-N 1 3 242.407 1.667 10 0 BDAEHO CN(C[C@@H](O)C(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336721313 386453077 /nfs/dbraw/zinc/45/30/77/386453077.db2.gz XRKZAEXRZSVLCL-CHWSQXEVSA-N 1 3 242.407 1.667 10 0 BDAEHO COc1cc(F)ccc1[C@H](N)CCCC[NH3+] ZINC000575440252 387127190 /nfs/dbraw/zinc/12/71/90/387127190.db2.gz XIIQQAHVNJUQTN-LLVKDONJSA-N 1 3 226.295 1.963 10 0 BDAEHO CC[C@H](CCO)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000571908577 387188755 /nfs/dbraw/zinc/18/87/55/387188755.db2.gz CMBBDFJLRVEZIL-GRYCIOLGSA-N 1 3 214.353 1.125 10 0 BDAEHO CSC[C@H](C)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400435430 387285246 /nfs/dbraw/zinc/28/52/46/387285246.db2.gz MPIYDFQOJMXQKF-IVZWLZJFSA-N 1 3 202.367 1.326 10 0 BDAEHO CCN1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2N)C1 ZINC000575601543 387360445 /nfs/dbraw/zinc/36/04/45/387360445.db2.gz HKRGHGVKRMLJMQ-AVGNSLFASA-N 1 3 225.380 1.330 10 0 BDAEHO CCN1CCC[C@H](N[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000575601543 387360449 /nfs/dbraw/zinc/36/04/49/387360449.db2.gz HKRGHGVKRMLJMQ-AVGNSLFASA-N 1 3 225.380 1.330 10 0 BDAEHO [NH3+]CCc1cc(C[NH3+])cc(Br)c1[O-] ZINC000575602945 387366298 /nfs/dbraw/zinc/36/62/98/387366298.db2.gz WNWCOPXONBTNSH-UHFFFAOYSA-N 1 3 245.120 1.115 10 0 BDAEHO Cc1ccc(CCN[C@H]2CCC[NH2+]CC2)o1 ZINC000515053332 387327017 /nfs/dbraw/zinc/32/70/17/387327017.db2.gz OKCVXBXLRHOVIW-LBPRGKRZSA-N 1 3 222.332 1.862 10 0 BDAEHO [NH3+][C@@H]1CCN([C@H]2CCCSCC2)C1 ZINC000575513257 387386158 /nfs/dbraw/zinc/38/61/58/387386158.db2.gz HMCOSQFOOUKMLN-ZJUUUORDSA-N 1 3 200.351 1.305 10 0 BDAEHO [NH3+][C@H]1CCC[C@H]1CN1CCSCC1 ZINC000053864454 387517374 /nfs/dbraw/zinc/51/73/74/387517374.db2.gz BRGSVQIQYYJGBQ-UWVGGRQHSA-N 1 3 200.351 1.163 10 0 BDAEHO FC1(CC[NH2+]C2CCNCC2)CCC1 ZINC000423125722 387904346 /nfs/dbraw/zinc/90/43/46/387904346.db2.gz OCQDWRDIDWGNCJ-UHFFFAOYSA-N 1 3 200.301 1.610 10 0 BDAEHO FC1(CCNC2CC[NH2+]CC2)CCC1 ZINC000423125722 387904351 /nfs/dbraw/zinc/90/43/51/387904351.db2.gz OCQDWRDIDWGNCJ-UHFFFAOYSA-N 1 3 200.301 1.610 10 0 BDAEHO C(C[C@H]1CCCO1)[NH2+][C@H]1CCCNCC1 ZINC000168733363 387908381 /nfs/dbraw/zinc/90/83/81/387908381.db2.gz WJHHHPWJZFDHQP-NWDGAFQWSA-N 1 3 212.337 1.287 10 0 BDAEHO C1C[C@H]([NH2+][C@@H]2CCCSCC2)CN1 ZINC000575518828 388356273 /nfs/dbraw/zinc/35/62/73/388356273.db2.gz VZDMCGLUXFCMFT-ZJUUUORDSA-N 1 3 200.351 1.224 10 0 BDAEHO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000307513254 388424395 /nfs/dbraw/zinc/42/43/95/388424395.db2.gz YSOWIHGUSLBKBL-VWYCJHECSA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@@H]1CSC[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000307513254 388424398 /nfs/dbraw/zinc/42/43/98/388424398.db2.gz YSOWIHGUSLBKBL-VWYCJHECSA-N 1 3 214.378 1.470 10 0 BDAEHO CC(C)(C)C[C@@H](CO)N[C@@H]1CCC[NH2+]CC1 ZINC000393481035 388431097 /nfs/dbraw/zinc/43/10/97/388431097.db2.gz VBECSFHULZNLKD-NEPJUHHUSA-N 1 3 228.380 1.515 10 0 BDAEHO CC(C)(C)C[C@@H](CO)[NH2+][C@@H]1CCCNCC1 ZINC000393481035 388431098 /nfs/dbraw/zinc/43/10/98/388431098.db2.gz VBECSFHULZNLKD-NEPJUHHUSA-N 1 3 228.380 1.515 10 0 BDAEHO CO[C@@H](CN[C@H]1CCC[NH2+]CC1)C(C)C ZINC000362976663 388563036 /nfs/dbraw/zinc/56/30/36/388563036.db2.gz LERHOPVIAWVKNY-RYUDHWBXSA-N 1 3 214.353 1.389 10 0 BDAEHO Cc1cc(N2C[C@@H](C)N(C)[C@H](C)C2)cc[nH+]1 ZINC000302511292 132264002 /nfs/dbraw/zinc/26/40/02/132264002.db2.gz XICWKKGEBTXAEF-VXGBXAGGSA-N 1 3 219.332 1.919 10 0 BDAEHO CCCCCN1CCN(c2cc[nH+]cc2N)CC1 ZINC000035081409 132337651 /nfs/dbraw/zinc/33/76/51/132337651.db2.gz YAOBAIQXGVPYLC-UHFFFAOYSA-N 1 3 248.374 1.976 10 0 BDAEHO CC(C)N1CCN(c2cc[nH+]cc2N)CC1 ZINC000035368369 132338202 /nfs/dbraw/zinc/33/82/02/132338202.db2.gz LHNDBJOXHBSONL-UHFFFAOYSA-N 1 3 220.320 1.194 10 0 BDAEHO NCc1c(Cl)cccc1N1CC[NH2+]CC1 ZINC000052904198 132362583 /nfs/dbraw/zinc/36/25/83/132362583.db2.gz CNTMYFINGBJBOX-UHFFFAOYSA-N 1 3 225.723 1.208 10 0 BDAEHO OCCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250835471 135059551 /nfs/dbraw/zinc/05/95/51/135059551.db2.gz KRYRYTARVGMLCE-YNEHKIRRSA-N 1 3 226.364 1.269 10 0 BDAEHO C[C@]1(CN)CC[N@@H+]([C@H]2CCSC2)C1 ZINC000307134797 397986377 /nfs/dbraw/zinc/98/63/77/397986377.db2.gz AJVFEOYLVBFUJG-VHSXEESVSA-N 1 3 200.351 1.163 10 0 BDAEHO C[C@]1(CN)CC[N@H+]([C@H]2CCSC2)C1 ZINC000307134797 397986379 /nfs/dbraw/zinc/98/63/79/397986379.db2.gz AJVFEOYLVBFUJG-VHSXEESVSA-N 1 3 200.351 1.163 10 0 BDAEHO CC(C)C[NH2+]C[C@@H]1CCCCN1CCN(C)C ZINC000053653091 167005959 /nfs/dbraw/zinc/00/59/59/167005959.db2.gz PTBFEKXJTWSLEJ-AWEZNQCLSA-N 1 3 241.423 1.648 10 0 BDAEHO CC(C)NCc1cc(OCC[NH+](C)C)ccn1 ZINC000051548777 167117352 /nfs/dbraw/zinc/11/73/52/167117352.db2.gz PKEDVCCJFBYMKW-UHFFFAOYSA-N 1 3 237.347 1.520 10 0 BDAEHO CC(C)[C@@H](C)[NH2+]CCN1CCC[C@@H]1CN(C)C ZINC000061655080 167382068 /nfs/dbraw/zinc/38/20/68/167382068.db2.gz KVCVEMZPSXJQRH-ZIAGYGMSSA-N 1 3 241.423 1.647 10 0 BDAEHO C[C@H](Cc1ccccn1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000656193918 411199389 /nfs/dbraw/zinc/19/93/89/411199389.db2.gz YPOQGPOFESNZBN-HZSPNIEDSA-N 1 3 247.386 1.990 10 0 BDAEHO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000656193918 411199390 /nfs/dbraw/zinc/19/93/90/411199390.db2.gz YPOQGPOFESNZBN-HZSPNIEDSA-N 1 3 247.386 1.990 10 0 BDAEHO C[C@H](Cc1ccccn1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000656193367 411200445 /nfs/dbraw/zinc/20/04/45/411200445.db2.gz IFMFKPZUFVINOQ-JHJVBQTASA-N 1 3 233.359 1.600 10 0 BDAEHO Cc1cnc(CCN[C@@H](C)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000656199702 411204283 /nfs/dbraw/zinc/20/42/83/411204283.db2.gz BCURUEGZONNUBU-KBPBESRZSA-N 1 3 247.386 1.829 10 0 BDAEHO FC1(F)CCC[C@@H](C[NH2+][C@H]2CCNC2)C1 ZINC000334787618 411245510 /nfs/dbraw/zinc/24/55/10/411245510.db2.gz XCLWPJWHOFZYAK-ZJUUUORDSA-N 1 3 218.291 1.763 10 0 BDAEHO CC1CCC(CN(C)C[C@@H](O)C[NH3+])CC1 ZINC000336759678 168151994 /nfs/dbraw/zinc/15/19/94/168151994.db2.gz LKBBAVMHBDUKMY-MCIGGMRASA-N 1 3 214.353 1.064 10 0 BDAEHO NCC[N@@H+]1CCC[C@@H](c2ccc(N)nc2)CC1 ZINC000616601411 411382419 /nfs/dbraw/zinc/38/24/19/411382419.db2.gz OWIUZHDGCWRRRJ-LLVKDONJSA-N 1 3 234.347 1.192 10 0 BDAEHO NCC[N@H+]1CCC[C@@H](c2ccc(N)nc2)CC1 ZINC000616601411 411382424 /nfs/dbraw/zinc/38/24/24/411382424.db2.gz OWIUZHDGCWRRRJ-LLVKDONJSA-N 1 3 234.347 1.192 10 0 BDAEHO CCn1cccc1C[NH2+]C[C@@H]1CCN(CC)C1 ZINC000091025357 170007295 /nfs/dbraw/zinc/00/72/95/170007295.db2.gz FECPUASUFILIFN-ZDUSSCGKSA-N 1 3 235.375 1.939 10 0 BDAEHO CC[NH2+]CC1(CN2CC[C@@H](O)C2)CCCCC1 ZINC000061711758 170110254 /nfs/dbraw/zinc/11/02/54/170110254.db2.gz YOWZVNFSJQQVIW-CYBMUJFWSA-N 1 3 240.391 1.613 10 0 BDAEHO CC[NH2+]C[C@@H](CC)N1CCN(CC(C)C)CC1 ZINC000055082998 170119166 /nfs/dbraw/zinc/11/91/66/170119166.db2.gz IPHOEDRSFUKFBA-CQSZACIVSA-N 1 3 241.423 1.648 10 0 BDAEHO CC[NH2+][C@@H](CC)[C@H](C)N1CCC[C@@H]1CN(C)C ZINC000061643571 170143975 /nfs/dbraw/zinc/14/39/75/170143975.db2.gz HBYCKMVNIFEMRE-MJBXVCDLSA-N 1 3 241.423 1.789 10 0 BDAEHO CC[NH2+][C@H](C)Cc1csc(CCN(C)C)n1 ZINC000076811863 170158732 /nfs/dbraw/zinc/15/87/32/170158732.db2.gz DRAIBUFWEJYAEE-SNVBAGLBSA-N 1 3 241.404 1.788 10 0 BDAEHO CCOC1CC[NH+]([C@@]2(CN)CCSC2)CC1 ZINC000040689148 170332235 /nfs/dbraw/zinc/33/22/35/170332235.db2.gz GRLPSDXUNSOUTA-GFCCVEGCSA-N 1 3 244.404 1.322 10 0 BDAEHO CCOC1CC[NH+]([C@]2(CN)CCSC2)CC1 ZINC000040689147 170332810 /nfs/dbraw/zinc/33/28/10/170332810.db2.gz GRLPSDXUNSOUTA-LBPRGKRZSA-N 1 3 244.404 1.322 10 0 BDAEHO CCOC1CC[NH+]([C@H]2CCC[C@H]2N)CC1 ZINC000040689311 170332854 /nfs/dbraw/zinc/33/28/54/170332854.db2.gz VHXCRSYSYGZXKK-NEPJUHHUSA-N 1 3 212.337 1.367 10 0 BDAEHO CC[C@@H]1CC[N@H+](CC2CCOCC2)CCCN1 ZINC000104188299 171009173 /nfs/dbraw/zinc/00/91/73/171009173.db2.gz VPAVAFPFCUSBAI-CQSZACIVSA-N 1 3 240.391 1.877 10 0 BDAEHO CC[C@@H]1CC[N@@H+](CC2CCOCC2)CCCN1 ZINC000104188299 171009176 /nfs/dbraw/zinc/00/91/76/171009176.db2.gz VPAVAFPFCUSBAI-CQSZACIVSA-N 1 3 240.391 1.877 10 0 BDAEHO CC[C@@H]1CCN(C2CCOCC2)CC[NH2+]1 ZINC000049662058 171009282 /nfs/dbraw/zinc/00/92/82/171009282.db2.gz KHWIEDSKIOEBRX-LLVKDONJSA-N 1 3 212.337 1.239 10 0 BDAEHO CC[C@@H]1CC[N@@H+](C2CCOCC2)CCN1 ZINC000049662058 171009284 /nfs/dbraw/zinc/00/92/84/171009284.db2.gz KHWIEDSKIOEBRX-LLVKDONJSA-N 1 3 212.337 1.239 10 0 BDAEHO CC[C@@H]1CC[N@H+](C2CCOCC2)CCN1 ZINC000049662058 171009286 /nfs/dbraw/zinc/00/92/86/171009286.db2.gz KHWIEDSKIOEBRX-LLVKDONJSA-N 1 3 212.337 1.239 10 0 BDAEHO CC[C@@H]1CC[C@@H]([NH3+])[C@H](CN2CCCOCC2)C1 ZINC000061934659 171040709 /nfs/dbraw/zinc/04/07/09/171040709.db2.gz JPONOIHHCWUBKT-HZSPNIEDSA-N 1 3 240.391 1.862 10 0 BDAEHO CC[C@@H]1CN(C2CCC([NH3+])CC2)CCO1 ZINC000055144361 171074611 /nfs/dbraw/zinc/07/46/11/171074611.db2.gz KHQRMGYFKOVQAH-HTAVTVPLSA-N 1 3 212.337 1.367 10 0 BDAEHO CC[C@@H]1CN(CCN(C)C)[C@H](CC)C[NH2+]1 ZINC000083117910 171082161 /nfs/dbraw/zinc/08/21/61/171082161.db2.gz NJKWLFIKXBYNCQ-VXGBXAGGSA-N 1 3 213.369 1.010 10 0 BDAEHO CC[C@@H]1CN(Cc2occc2C[NH3+])CCN1C ZINC000110753571 171094859 /nfs/dbraw/zinc/09/48/59/171094859.db2.gz JLVLKQDCJJSWOD-GFCCVEGCSA-N 1 3 237.347 1.264 10 0 BDAEHO CC[C@H](C)[N@H+](CC)C1(CN)CCN(CC)CC1 ZINC000037112712 171311794 /nfs/dbraw/zinc/31/17/94/171311794.db2.gz WDNOGRMLZCPBGB-ZDUSSCGKSA-N 1 3 241.423 1.920 10 0 BDAEHO CC[C@H](C)[N@@H+](CC)C1(CN)CCN(CC)CC1 ZINC000037112712 171311796 /nfs/dbraw/zinc/31/17/96/171311796.db2.gz WDNOGRMLZCPBGB-ZDUSSCGKSA-N 1 3 241.423 1.920 10 0 BDAEHO CC(C)(F)CC[NH2+][C@H]1CCCNCC1 ZINC000665261794 412204718 /nfs/dbraw/zinc/20/47/18/412204718.db2.gz LRXPMOBKIHLJGF-JTQLQIEISA-N 1 3 202.317 1.856 10 0 BDAEHO CC(C)(F)CCN[C@H]1CCC[NH2+]CC1 ZINC000665261794 412204720 /nfs/dbraw/zinc/20/47/20/412204720.db2.gz LRXPMOBKIHLJGF-JTQLQIEISA-N 1 3 202.317 1.856 10 0 BDAEHO CN(C)CCc1noc(C2CCC([NH3+])CC2)n1 ZINC000096877201 172478425 /nfs/dbraw/zinc/47/84/25/172478425.db2.gz WKTKTSFGWSENSM-UHFFFAOYSA-N 1 3 238.335 1.159 10 0 BDAEHO CN1CCC[N@@H+]([C@@H]2CCCC[C@@H]2CN)CC1 ZINC000037158697 173017132 /nfs/dbraw/zinc/01/71/32/173017132.db2.gz FNHLLPKUZLQOFT-CHWSQXEVSA-N 1 3 225.380 1.141 10 0 BDAEHO CN1CCC[N@H+]([C@@H]2CCCC[C@@H]2CN)CC1 ZINC000037158697 173017135 /nfs/dbraw/zinc/01/71/35/173017135.db2.gz FNHLLPKUZLQOFT-CHWSQXEVSA-N 1 3 225.380 1.141 10 0 BDAEHO CN(C[C@H](O)C(C)(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000336721918 173042978 /nfs/dbraw/zinc/04/29/78/173042978.db2.gz XRKZAEXRZSVLCL-STQMWFEESA-N 1 3 242.407 1.667 10 0 BDAEHO CN(C[C@H](O)C(C)(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336721918 173042979 /nfs/dbraw/zinc/04/29/79/173042979.db2.gz XRKZAEXRZSVLCL-STQMWFEESA-N 1 3 242.407 1.667 10 0 BDAEHO CN(c1cc[nH+]cc1N)[C@H]1CCCN(C)C1 ZINC000053205894 173044257 /nfs/dbraw/zinc/04/42/57/173044257.db2.gz FRSKBSYCXSPGJU-JTQLQIEISA-N 1 3 220.320 1.194 10 0 BDAEHO CN1CCN(CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050952270 173079208 /nfs/dbraw/zinc/07/92/08/173079208.db2.gz ZTQOLNRMVFYCCG-ZDUSSCGKSA-N 1 3 225.380 1.156 10 0 BDAEHO CN1CC[C@@H](C[N@H+](C)C[C@H](O)c2ccccc2)C1 ZINC000071190238 173111916 /nfs/dbraw/zinc/11/19/16/173111916.db2.gz GSMUOOFCEJQIFU-HIFRSBDPSA-N 1 3 248.370 1.604 10 0 BDAEHO CN1CC[C@@H](C[N@@H+](C)C[C@H](O)c2ccccc2)C1 ZINC000071190238 173111917 /nfs/dbraw/zinc/11/19/17/173111917.db2.gz GSMUOOFCEJQIFU-HIFRSBDPSA-N 1 3 248.370 1.604 10 0 BDAEHO C[N@@H+]1CC[C@@H](CNCc2ccccc2)C1 ZINC000037484743 173115444 /nfs/dbraw/zinc/11/54/44/173115444.db2.gz ZNNMCNXXAYLCIN-ZDUSSCGKSA-N 1 3 204.317 1.728 10 0 BDAEHO C[N@H+]1CC[C@@H](CNCc2ccccc2)C1 ZINC000037484743 173115445 /nfs/dbraw/zinc/11/54/45/173115445.db2.gz ZNNMCNXXAYLCIN-ZDUSSCGKSA-N 1 3 204.317 1.728 10 0 BDAEHO CN1CC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000037484743 173115446 /nfs/dbraw/zinc/11/54/46/173115446.db2.gz ZNNMCNXXAYLCIN-ZDUSSCGKSA-N 1 3 204.317 1.728 10 0 BDAEHO CN1CC[C@H](C[N@H+](C)C[C@@H](O)c2ccccc2)C1 ZINC000250586637 173142466 /nfs/dbraw/zinc/14/24/66/173142466.db2.gz GSMUOOFCEJQIFU-DZGCQCFKSA-N 1 3 248.370 1.604 10 0 BDAEHO CN1CC[C@H](C[N@@H+](C)C[C@@H](O)c2ccccc2)C1 ZINC000250586637 173142469 /nfs/dbraw/zinc/14/24/69/173142469.db2.gz GSMUOOFCEJQIFU-DZGCQCFKSA-N 1 3 248.370 1.604 10 0 BDAEHO C[NH2+]C[C@@]1(CN(C)CC(C)(C)C)CCCOC1 ZINC000104307432 173373602 /nfs/dbraw/zinc/37/36/02/173373602.db2.gz ZFEIPIZVYMPLPC-CQSZACIVSA-N 1 3 242.407 1.981 10 0 BDAEHO CNC[C@@]1(C[N@H+](C)CC(C)(C)C)CCCOC1 ZINC000104307432 173373604 /nfs/dbraw/zinc/37/36/04/173373604.db2.gz ZFEIPIZVYMPLPC-CQSZACIVSA-N 1 3 242.407 1.981 10 0 BDAEHO CNC[C@@]1(C[N@@H+](C)CC(C)(C)C)CCCOC1 ZINC000104307432 173373605 /nfs/dbraw/zinc/37/36/05/173373605.db2.gz ZFEIPIZVYMPLPC-CQSZACIVSA-N 1 3 242.407 1.981 10 0 BDAEHO COC1CC[NH+](CC2(N)CCCCC2)CC1 ZINC000037266471 174027730 /nfs/dbraw/zinc/02/77/30/174027730.db2.gz VHJQCGSMGFQAFE-UHFFFAOYSA-N 1 3 226.364 1.759 10 0 BDAEHO COC1CCN(C[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053866140 174029013 /nfs/dbraw/zinc/02/90/13/174029013.db2.gz ASXHVSKJBQEIPT-PWSUYJOCSA-N 1 3 212.337 1.225 10 0 BDAEHO COCCCN1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049665803 174233198 /nfs/dbraw/zinc/23/31/98/174233198.db2.gz VMHPHMZKZVSGHG-RYUDHWBXSA-N 1 3 214.353 1.485 10 0 BDAEHO COCCN(C[C@](C)([NH3+])C1CC1)[C@H](C)C1CC1 ZINC000042689299 174297434 /nfs/dbraw/zinc/29/74/34/174297434.db2.gz AYBXCOXNVAADKH-RISCZKNCSA-N 1 3 240.391 1.861 10 0 BDAEHO COCC[N@H+](C[C@](C)(N)C1CC1)[C@H](C)C1CC1 ZINC000042689299 174297436 /nfs/dbraw/zinc/29/74/36/174297436.db2.gz AYBXCOXNVAADKH-RISCZKNCSA-N 1 3 240.391 1.861 10 0 BDAEHO COCC[N@@H+](C[C@](C)(N)C1CC1)[C@H](C)C1CC1 ZINC000042689299 174297438 /nfs/dbraw/zinc/29/74/38/174297438.db2.gz AYBXCOXNVAADKH-RISCZKNCSA-N 1 3 240.391 1.861 10 0 BDAEHO COc1ccc(CC[NH3+])cc1CN(C)C ZINC000045206461 175090569 /nfs/dbraw/zinc/09/05/69/175090569.db2.gz SJWQHCJNQRJRRI-UHFFFAOYSA-N 1 3 208.305 1.258 10 0 BDAEHO C[C@@H]1CCN(Cc2ccccc2)C[C@H](O)[C@@H]1[NH3+] ZINC000035566982 176175355 /nfs/dbraw/zinc/17/53/55/176175355.db2.gz AKYCYJKHFYEHSO-KWCYVHTRSA-N 1 3 234.343 1.217 10 0 BDAEHO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H](O)[C@@H]1N ZINC000035566982 176175357 /nfs/dbraw/zinc/17/53/57/176175357.db2.gz AKYCYJKHFYEHSO-KWCYVHTRSA-N 1 3 234.343 1.217 10 0 BDAEHO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H](O)[C@@H]1N ZINC000035566982 176175359 /nfs/dbraw/zinc/17/53/59/176175359.db2.gz AKYCYJKHFYEHSO-KWCYVHTRSA-N 1 3 234.343 1.217 10 0 BDAEHO C[C@@H]1CN(CCN2CCCCC2)[C@H](C)C[NH2+]1 ZINC000062611947 176290588 /nfs/dbraw/zinc/29/05/88/176290588.db2.gz WNPCFADLLSTMQP-CHWSQXEVSA-N 1 3 225.380 1.155 10 0 BDAEHO C[C@H]1CCC[N@H+](Cc2occc2CN)C1 ZINC000052381306 177103635 /nfs/dbraw/zinc/10/36/35/177103635.db2.gz AIGDRZOILPDMCD-JTQLQIEISA-N 1 3 208.305 1.970 10 0 BDAEHO C[C@H]1CCC[N@@H+](Cc2occc2CN)C1 ZINC000052381306 177103637 /nfs/dbraw/zinc/10/36/37/177103637.db2.gz AIGDRZOILPDMCD-JTQLQIEISA-N 1 3 208.305 1.970 10 0 BDAEHO C[C@H]1CCC[C@](CO)(N2CCC[NH2+]CC2)C1 ZINC000038117168 177143709 /nfs/dbraw/zinc/14/37/09/177143709.db2.gz NDPXRTUBVKDYQV-STQMWFEESA-N 1 3 226.364 1.223 10 0 BDAEHO C[C@@H]1CCN([C@@H]2CCCN(C)C2)CC[C@H](C)[NH2+]1 ZINC000049667037 177169531 /nfs/dbraw/zinc/16/95/31/177169531.db2.gz SDKZHYDVHCKDRP-HZSPNIEDSA-N 1 3 239.407 1.543 10 0 BDAEHO C[C@@H]1CO[C@@H](C)CN1CC1CCC([NH3+])CC1 ZINC000037482478 177245424 /nfs/dbraw/zinc/24/54/24/177245424.db2.gz YPKBZHMSRLYMHL-IALDZJHCSA-N 1 3 226.364 1.613 10 0 BDAEHO C[C@H]1CN(CC[C@H]([NH3+])C(C)(C)C)CCCO1 ZINC000061934328 177254105 /nfs/dbraw/zinc/25/41/05/177254105.db2.gz AVYUOTBBXBUUMB-RYUDHWBXSA-N 1 3 228.380 1.861 10 0 BDAEHO C[C@H](CN1CCCCC1)NC1=[NH+]C[C@H](C)S1 ZINC000049502355 177281924 /nfs/dbraw/zinc/28/19/24/177281924.db2.gz OGEYRMSCOMSAIA-MNOVXSKESA-N 1 3 241.404 1.942 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@H](C)CN(CCc2ccccn2)C1 ZINC000049666559 177285779 /nfs/dbraw/zinc/28/57/79/177285779.db2.gz OOSLKUOTXNVDSL-OKILXGFUSA-N 1 3 247.386 1.802 10 0 BDAEHO C[C@H]1COC[C@H](C)N1CCC1CC[NH2+]CC1 ZINC000334602931 177299076 /nfs/dbraw/zinc/29/90/76/177299076.db2.gz UFIHKPLMAZRZFS-RYUDHWBXSA-N 1 3 226.364 1.485 10 0 BDAEHO C[C@H](NC[C@]1(C)CCCS1)[C@H]1CC[NH2+]C1 ZINC000400339382 226340966 /nfs/dbraw/zinc/34/09/66/226340966.db2.gz GIGYJWNHSPQSET-SRVKXCTJSA-N 1 3 228.405 1.860 10 0 BDAEHO c1cc2cnccc2c(CNC[C@@H]2CC[NH2+]C2)c1 ZINC000666845619 487889017 /nfs/dbraw/zinc/88/90/17/487889017.db2.gz ZTFZGENNXLOTHP-GFCCVEGCSA-N 1 3 241.338 1.934 10 0 BDAEHO COCCCCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000562958354 323035273 /nfs/dbraw/zinc/03/52/73/323035273.db2.gz AYMKCRWYYAUHQF-CHWSQXEVSA-N 1 3 228.380 1.781 10 0 BDAEHO C[C@@H]([NH2+]CCCc1ccccn1)[C@@H]1CCCNC1 ZINC000571669338 323177089 /nfs/dbraw/zinc/17/70/89/323177089.db2.gz HQAOJHAJFIFDCO-ZIAGYGMSSA-N 1 3 247.386 1.992 10 0 BDAEHO C[C@@H](NCCCc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000571669338 323177090 /nfs/dbraw/zinc/17/70/90/323177090.db2.gz HQAOJHAJFIFDCO-ZIAGYGMSSA-N 1 3 247.386 1.992 10 0 BDAEHO C[C@H]([NH2+]CC(C)(C)CCCO)[C@@H]1CCCNC1 ZINC000566091064 325993060 /nfs/dbraw/zinc/99/30/60/325993060.db2.gz YVNJCUPTJWSLPV-QWHCGFSZSA-N 1 3 242.407 1.763 10 0 BDAEHO C[C@H]([NH2+][C@@H](CO)C1CCCCC1)C1CNC1 ZINC000566555621 326063397 /nfs/dbraw/zinc/06/33/97/326063397.db2.gz BZCMYRVYNPCPMF-GWCFXTLKSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](N[C@@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000566555621 326063398 /nfs/dbraw/zinc/06/33/98/326063398.db2.gz BZCMYRVYNPCPMF-GWCFXTLKSA-N 1 3 226.364 1.125 10 0 BDAEHO Cc1cccnc1CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566732281 326077410 /nfs/dbraw/zinc/07/74/10/326077410.db2.gz VNQYILXNIAQYGF-ZIAGYGMSSA-N 1 3 247.386 1.910 10 0 BDAEHO CC(C)N(C)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567642381 326237377 /nfs/dbraw/zinc/23/73/77/326237377.db2.gz ROZRBJGAZYUOED-CHWSQXEVSA-N 1 3 227.396 1.304 10 0 BDAEHO Cc1ccc(CCN[C@@H](C)[C@H]2CC[NH2+]C2)o1 ZINC000568618538 326367819 /nfs/dbraw/zinc/36/78/19/326367819.db2.gz KTKISMTVBFQRPO-RYUDHWBXSA-N 1 3 222.332 1.718 10 0 BDAEHO CC(C)C[C@H](CN(C)C)NC(=O)CC(C)(C)[NH3+] ZINC000084165184 490377482 /nfs/dbraw/zinc/37/74/82/490377482.db2.gz AIZZFGNYODFCLM-LLVKDONJSA-N 1 3 243.395 1.206 10 0 BDAEHO N[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000086403432 490414534 /nfs/dbraw/zinc/41/45/34/490414534.db2.gz YVIHUZFQQRTMJU-WOPDTQHZSA-N 1 3 212.337 1.415 10 0 BDAEHO C(C[C@@H]1CCCO1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127996890 490567562 /nfs/dbraw/zinc/56/75/62/490567562.db2.gz XSNCLKOMIIAARE-MJBXVCDLSA-N 1 3 238.375 1.772 10 0 BDAEHO C(C[C@@H]1CCCO1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127996890 490567565 /nfs/dbraw/zinc/56/75/65/490567565.db2.gz XSNCLKOMIIAARE-MJBXVCDLSA-N 1 3 238.375 1.772 10 0 BDAEHO COCCC[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757130729 582504938 /nfs/dbraw/zinc/50/49/38/582504938.db2.gz NYPCJUOSHWJLRP-QWHCGFSZSA-N 1 3 226.364 1.629 10 0 BDAEHO COCCC[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757130729 582504939 /nfs/dbraw/zinc/50/49/39/582504939.db2.gz NYPCJUOSHWJLRP-QWHCGFSZSA-N 1 3 226.364 1.629 10 0 BDAEHO COC[C@H](C)[N@@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757132853 582508251 /nfs/dbraw/zinc/50/82/51/582508251.db2.gz SAJSDWULDDOACN-AVGNSLFASA-N 1 3 226.364 1.628 10 0 BDAEHO COC[C@H](C)[N@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757132853 582508253 /nfs/dbraw/zinc/50/82/53/582508253.db2.gz SAJSDWULDDOACN-AVGNSLFASA-N 1 3 226.364 1.628 10 0 BDAEHO CN1CCC2(CC1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757149907 582534066 /nfs/dbraw/zinc/53/40/66/582534066.db2.gz WWHBZQLCPNNTBI-LLVKDONJSA-N 1 3 210.321 1.197 10 0 BDAEHO CCC(O)(CC)CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400336794 528976398 /nfs/dbraw/zinc/97/63/98/528976398.db2.gz DNUXVMHXSBENIX-GHMZBOCLSA-N 1 3 214.353 1.125 10 0 BDAEHO CCCN1CCN(c2ccc(C[NH3+])cn2)CC1 ZINC000022221427 534931571 /nfs/dbraw/zinc/93/15/71/534931571.db2.gz WBLINPOFLCFUQZ-UHFFFAOYSA-N 1 3 234.347 1.072 10 0 BDAEHO CN(C)Cc1ccccc1N1CC[NH2+]CC1 ZINC000060253216 536048517 /nfs/dbraw/zinc/04/85/17/536048517.db2.gz ATTCCASKRFESFD-UHFFFAOYSA-N 1 3 219.332 1.158 10 0 BDAEHO COC[C@H](C)C[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757128263 582503189 /nfs/dbraw/zinc/50/31/89/582503189.db2.gz JWMQKBGFOKQSFE-MGPQQGTHSA-N 1 3 240.391 1.875 10 0 BDAEHO COC[C@H](C)C[N@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757128263 582503190 /nfs/dbraw/zinc/50/31/90/582503190.db2.gz JWMQKBGFOKQSFE-MGPQQGTHSA-N 1 3 240.391 1.875 10 0 BDAEHO CCN1CCC2(CC1)[NH2+][C@H]1CCCC[C@@H]1CO2 ZINC000757139407 582519876 /nfs/dbraw/zinc/51/98/76/582519876.db2.gz GYZWVRIUMCNPLV-OLZOCXBDSA-N 1 3 238.375 1.977 10 0 BDAEHO CCN1CCC2(CC1)[NH2+][C@@H](C)C1(CC1)CO2 ZINC000757144995 582526353 /nfs/dbraw/zinc/52/63/53/582526353.db2.gz OAAQWKKOHHMMIR-NSHDSACASA-N 1 3 224.348 1.587 10 0 BDAEHO CCN1CCC2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757152765 582537788 /nfs/dbraw/zinc/53/77/88/582537788.db2.gz UWAQFXPGUAXLCN-UHFFFAOYSA-N 1 3 224.348 1.731 10 0 BDAEHO [NH3+][C@@H]1CNC[C@@H](c2cccc3cc[nH]c32)C1 ZINC000757217812 582562017 /nfs/dbraw/zinc/56/20/17/582562017.db2.gz SNRCLOWWJLILMO-QWRGUYRKSA-N 1 3 215.300 1.572 10 0 BDAEHO COCC[C@@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC000757133728 586427129 /nfs/dbraw/zinc/42/71/29/586427129.db2.gz UBXGLMPGVVJKSP-CHWSQXEVSA-N 1 3 226.364 1.629 10 0 BDAEHO COCC[C@@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC000757133728 586427130 /nfs/dbraw/zinc/42/71/30/586427130.db2.gz UBXGLMPGVVJKSP-CHWSQXEVSA-N 1 3 226.364 1.629 10 0 BDAEHO CCN1CCC2(CC1)[NH2+][C@@H]1CCCC[C@H]1CO2 ZINC000757139724 586427940 /nfs/dbraw/zinc/42/79/40/586427940.db2.gz GYZWVRIUMCNPLV-QWHCGFSZSA-N 1 3 238.375 1.977 10 0 BDAEHO CC(=O)c1cccc([C@@H]2CNC[C@H](C[NH3+])C2)c1 ZINC000757212330 586439419 /nfs/dbraw/zinc/43/94/19/586439419.db2.gz IIKGPQHBOVZNIF-FZMZJTMJSA-N 1 3 232.327 1.541 10 0 BDAEHO CC(=O)c1cccc([C@@H]2C[NH2+]C[C@H](CN)C2)c1 ZINC000757212330 586439421 /nfs/dbraw/zinc/43/94/21/586439421.db2.gz IIKGPQHBOVZNIF-FZMZJTMJSA-N 1 3 232.327 1.541 10 0 BDAEHO C[C@@H]1CC[C@@H](CN)[C@@H](C2CCOCC2)[NH2+]1 ZINC000757213219 586439500 /nfs/dbraw/zinc/43/95/00/586439500.db2.gz OZLDGWDVNYEERS-ADEWGFFLSA-N 1 3 212.337 1.128 10 0 BDAEHO Nc1cccc([C@@H]2NCCC[C@@H]2C[NH3+])c1 ZINC000757215393 586440812 /nfs/dbraw/zinc/44/08/12/586440812.db2.gz NIFAOGOMKGNTLC-PWSUYJOCSA-N 1 3 205.305 1.268 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1CC[C@H](N)C[NH2+]1 ZINC000757236245 586443681 /nfs/dbraw/zinc/44/36/81/586443681.db2.gz NSAOPYPCUNZMRL-JQWIXIFHSA-N 1 3 205.305 1.329 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1C[NH2+]C[C@@H](CN)C1 ZINC000757237353 586443824 /nfs/dbraw/zinc/44/38/24/586443824.db2.gz PXMBKHZECYVMFV-MNOVXSKESA-N 1 3 219.332 1.229 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1CNC[C@@H](C[NH3+])C1 ZINC000757237353 586443826 /nfs/dbraw/zinc/44/38/26/586443826.db2.gz PXMBKHZECYVMFV-MNOVXSKESA-N 1 3 219.332 1.229 10 0 BDAEHO C[C@H](Cc1ccco1)N[C@@H]1CCC[NH2+]CC1 ZINC000168724106 633145826 /nfs/dbraw/zinc/14/58/26/633145826.db2.gz VRQIYKNWEUTVKI-VXGBXAGGSA-N 1 3 222.332 1.942 10 0 BDAEHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@H]1CCCO1 ZINC000251645798 642882870 /nfs/dbraw/zinc/88/28/70/642882870.db2.gz SKQHSJQDLMYKCU-TUAOUCFPSA-N 1 3 212.337 1.367 10 0 BDAEHO C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@H]1CCCO1 ZINC000251645798 642882872 /nfs/dbraw/zinc/88/28/72/642882872.db2.gz SKQHSJQDLMYKCU-TUAOUCFPSA-N 1 3 212.337 1.367 10 0 BDAEHO CN(C[C@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666811 643363177 /nfs/dbraw/zinc/36/31/77/643363177.db2.gz IRFPNBAPLVTDPV-VXGBXAGGSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@@H](NCCc1ccns1)[C@H]1CC[NH2+]C1 ZINC000709967902 712235676 /nfs/dbraw/zinc/23/56/76/712235676.db2.gz RLBXBHNVTNVDGQ-ZJUUUORDSA-N 1 3 225.361 1.273 10 0 BDAEHO COCC1CC([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000714004596 712476977 /nfs/dbraw/zinc/47/69/77/712476977.db2.gz DAQNDAJZPDFTDA-RSJDFQLWSA-N 1 3 212.337 1.128 10 0 BDAEHO CC[C@H]([NH2+]C1CCNCC1)[C@H]1CCCOC1 ZINC000724009749 711555039 /nfs/dbraw/zinc/55/50/39/711555039.db2.gz NZAZDPZTOHLIHN-AAEUAGOBSA-N 1 3 226.364 1.533 10 0 BDAEHO C[C@H](NCCc1ccns1)[C@H]1CC[NH2+]C1 ZINC000709967900 712235970 /nfs/dbraw/zinc/23/59/70/712235970.db2.gz RLBXBHNVTNVDGQ-UWVGGRQHSA-N 1 3 225.361 1.273 10 0 BDAEHO C[C@H](NCCc1ccns1)[C@@H]1CCC[NH2+]C1 ZINC000709985276 712237056 /nfs/dbraw/zinc/23/70/56/712237056.db2.gz SEZSAKXTZIXFHC-WDEREUQCSA-N 1 3 239.388 1.663 10 0 BDAEHO CCC1([NH3+])CCN([C@@H](C)[C@H](C)OC)CC1 ZINC000714754866 712497787 /nfs/dbraw/zinc/49/77/87/712497787.db2.gz YQKRXZIPCMBCOX-QWRGUYRKSA-N 1 3 214.353 1.613 10 0 BDAEHO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1CCNCC1 ZINC000716665304 712569054 /nfs/dbraw/zinc/56/90/54/712569054.db2.gz HCTPTLJRATWRSL-URBCHYCLSA-N 1 3 208.349 1.620 10 0 BDAEHO CCC(CC)(CNC1CC1)C[N@H+](C)C[C@H](C)O ZINC000051840495 168326057 /nfs/dbraw/zinc/32/60/57/168326057.db2.gz BXFXIZHZRRPGMD-LBPRGKRZSA-N 1 3 242.407 1.857 10 0 BDAEHO CCC(CC)(CNC1CC1)C[N@@H+](C)C[C@H](C)O ZINC000051840495 168326058 /nfs/dbraw/zinc/32/60/58/168326058.db2.gz BXFXIZHZRRPGMD-LBPRGKRZSA-N 1 3 242.407 1.857 10 0 BDAEHO C[C@@H]1CC[C@H](CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)O1 ZINC000381387441 398255173 /nfs/dbraw/zinc/25/51/73/398255173.db2.gz MNKXNYHXZRVWTF-MLGHIDQZSA-N 1 3 224.348 1.223 10 0 BDAEHO CCN1CCC[C@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000386017503 342901894 /nfs/dbraw/zinc/90/18/94/342901894.db2.gz NXMMKXIXEMSACB-RDBSUJKOSA-N 1 3 239.407 1.591 10 0 BDAEHO COC[C@H]([NH2+][C@H]1CCC[C@@H]1CN)C(C)C ZINC000084222782 136290856 /nfs/dbraw/zinc/29/08/56/136290856.db2.gz BXTGYDZMDGHJEQ-WOPDTQHZSA-N 1 3 214.353 1.374 10 0 BDAEHO C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CCCNC1 ZINC000584107182 343597508 /nfs/dbraw/zinc/59/75/08/343597508.db2.gz NUCZNYLKHRGXMH-OCCSQVGLSA-N 1 3 248.370 1.912 10 0 BDAEHO C[C@@H](NCCc1ccc(O)cc1)[C@H]1CCC[NH2+]C1 ZINC000584107182 343597509 /nfs/dbraw/zinc/59/75/09/343597509.db2.gz NUCZNYLKHRGXMH-OCCSQVGLSA-N 1 3 248.370 1.912 10 0 BDAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[Si](C)(C)C ZINC000401837781 343736522 /nfs/dbraw/zinc/73/65/22/343736522.db2.gz FSRRWKNZONWOPL-NXEZZACHSA-N 1 3 200.402 1.675 10 0 BDAEHO C[C@@H]1C[C@H](N)CC[N@H+]1C[Si](C)(C)C ZINC000401837781 343736524 /nfs/dbraw/zinc/73/65/24/343736524.db2.gz FSRRWKNZONWOPL-NXEZZACHSA-N 1 3 200.402 1.675 10 0 BDAEHO N[C@H](CN1CCC([NH3+])CC1)c1ccccc1 ZINC000059732102 343712490 /nfs/dbraw/zinc/71/24/90/343712490.db2.gz DNVMQMDQDCOVRX-CYBMUJFWSA-N 1 3 219.332 1.110 10 0 BDAEHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000584183449 343770904 /nfs/dbraw/zinc/77/09/04/343770904.db2.gz IULZUXAHRJQFKI-BFHYXJOUSA-N 1 3 240.391 1.611 10 0 BDAEHO C1C[C@@H]2COCC[N@@H+](C3CCNCC3)[C@H]2C1 ZINC000409430330 343808149 /nfs/dbraw/zinc/80/81/49/343808149.db2.gz VFRJYNBGLZBNRG-YPMHNXCESA-N 1 3 224.348 1.239 10 0 BDAEHO C1C[C@@H]2COCC[N@H+](C3CCNCC3)[C@H]2C1 ZINC000409430330 343808151 /nfs/dbraw/zinc/80/81/51/343808151.db2.gz VFRJYNBGLZBNRG-YPMHNXCESA-N 1 3 224.348 1.239 10 0 BDAEHO C1C[C@@H]2COCCN(C3CC[NH2+]CC3)[C@H]2C1 ZINC000409430330 343808154 /nfs/dbraw/zinc/80/81/54/343808154.db2.gz VFRJYNBGLZBNRG-YPMHNXCESA-N 1 3 224.348 1.239 10 0 BDAEHO OC[C@]12C[N@@H+](C3CCNCC3)C[C@H]1CCCC2 ZINC000409435593 343834388 /nfs/dbraw/zinc/83/43/88/343834388.db2.gz VOUUQZXGPPCBRE-OCCSQVGLSA-N 1 3 238.375 1.223 10 0 BDAEHO OC[C@]12C[N@H+](C3CCNCC3)C[C@H]1CCCC2 ZINC000409435593 343834390 /nfs/dbraw/zinc/83/43/90/343834390.db2.gz VOUUQZXGPPCBRE-OCCSQVGLSA-N 1 3 238.375 1.223 10 0 BDAEHO COC[C@@]12CCC[C@H]1C[N@H+](CCCN)C2 ZINC000409436263 343838143 /nfs/dbraw/zinc/83/81/43/343838143.db2.gz YXFZTBPJGIGWEJ-RYUDHWBXSA-N 1 3 212.337 1.084 10 0 BDAEHO COC[C@@]12CCC[C@H]1C[N@@H+](CCCN)C2 ZINC000409436263 343838144 /nfs/dbraw/zinc/83/81/44/343838144.db2.gz YXFZTBPJGIGWEJ-RYUDHWBXSA-N 1 3 212.337 1.084 10 0 BDAEHO O[C@@H]1CC[N@@H+](C2CCNCC2)C[C@H]1CC1CC1 ZINC000409435754 343839842 /nfs/dbraw/zinc/83/98/42/343839842.db2.gz WJVHUMGURGNWTL-TZMCWYRMSA-N 1 3 238.375 1.221 10 0 BDAEHO O[C@@H]1CC[N@H+](C2CCNCC2)C[C@H]1CC1CC1 ZINC000409435754 343839843 /nfs/dbraw/zinc/83/98/43/343839843.db2.gz WJVHUMGURGNWTL-TZMCWYRMSA-N 1 3 238.375 1.221 10 0 BDAEHO O[C@@H]1CCN(C2CC[NH2+]CC2)C[C@H]1CC1CC1 ZINC000409435754 343839844 /nfs/dbraw/zinc/83/98/44/343839844.db2.gz WJVHUMGURGNWTL-TZMCWYRMSA-N 1 3 238.375 1.221 10 0 BDAEHO C[NH2+]C[C@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC000248152333 345059541 /nfs/dbraw/zinc/05/95/41/345059541.db2.gz XXYORQBLIVDNEL-ZIAGYGMSSA-N 1 3 234.343 1.089 10 0 BDAEHO CN1CCC[C@@H](CNC2=[NH+]CCS2)C1 ZINC000044538300 345112744 /nfs/dbraw/zinc/11/27/44/345112744.db2.gz RGFFDXHXNCVYLR-VIFPVBQESA-N 1 3 213.350 1.021 10 0 BDAEHO CC1(C)SC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000307214517 345240099 /nfs/dbraw/zinc/24/00/99/345240099.db2.gz RUUVAZTZMDLPIK-AEJSXWLSSA-N 1 3 214.378 1.740 10 0 BDAEHO COC1(C[N@@H+]2C[C@@H](C)[C@@H](CN)C2)CCCC1 ZINC000634998288 345198203 /nfs/dbraw/zinc/19/82/03/345198203.db2.gz CYQZLRRFPCUXBB-NEPJUHHUSA-N 1 3 226.364 1.472 10 0 BDAEHO COC1(C[N@H+]2C[C@@H](C)[C@@H](CN)C2)CCCC1 ZINC000634998288 345198205 /nfs/dbraw/zinc/19/82/05/345198205.db2.gz CYQZLRRFPCUXBB-NEPJUHHUSA-N 1 3 226.364 1.472 10 0 BDAEHO CCC[C@H](CCO)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000635006076 345210544 /nfs/dbraw/zinc/21/05/44/345210544.db2.gz XHXXUCILHQWPIQ-SDDRHHMPSA-N 1 3 214.353 1.125 10 0 BDAEHO CCCC[C@H](CC)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000309839848 347182917 /nfs/dbraw/zinc/18/29/17/347182917.db2.gz ODPSDEUWSJJRNF-SRVKXCTJSA-N 1 3 214.353 1.125 10 0 BDAEHO CCCC[C@H](CC)[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000309839848 347182919 /nfs/dbraw/zinc/18/29/19/347182919.db2.gz ODPSDEUWSJJRNF-SRVKXCTJSA-N 1 3 214.353 1.125 10 0 BDAEHO CO[C@@H]([C@@H](C)N[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000388261491 347275930 /nfs/dbraw/zinc/27/59/30/347275930.db2.gz AGZWPWIJXLKEEB-RTXFEEFZSA-N 1 3 226.364 1.532 10 0 BDAEHO CO[C@@H]([C@@H](C)[NH2+][C@@H]1CCCNCC1)C1CC1 ZINC000388261491 347275932 /nfs/dbraw/zinc/27/59/32/347275932.db2.gz AGZWPWIJXLKEEB-RTXFEEFZSA-N 1 3 226.364 1.532 10 0 BDAEHO C[NH2+]C[C@@H]1CCN([C@H]2CCCSC2)C1 ZINC000250768359 362819537 /nfs/dbraw/zinc/81/95/37/362819537.db2.gz UBZZTJZRQULCIR-QWRGUYRKSA-N 1 3 214.378 1.423 10 0 BDAEHO CC(C)CC1([NH+]2CCNCC2)CCN(C)CC1 ZINC000202393704 348017363 /nfs/dbraw/zinc/01/73/63/348017363.db2.gz AJEWGIMNKUHHGF-UHFFFAOYSA-N 1 3 239.407 1.402 10 0 BDAEHO C[C@H](CC[NH3+])N1C[C@@H](C)S[C@H](C)C1 ZINC000251539193 362884636 /nfs/dbraw/zinc/88/46/36/362884636.db2.gz BIFJZLQQNHZCBM-OPRDCNLKSA-N 1 3 202.367 1.550 10 0 BDAEHO C[C@@H]1CCN([C@@]2(C[NH3+])CS[C@H](C)C2)C1 ZINC000251709852 362901050 /nfs/dbraw/zinc/90/10/50/362901050.db2.gz OVOYRGANLFMACY-MXWKQRLJSA-N 1 3 214.378 1.551 10 0 BDAEHO CCSC1(CN[C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000596653602 348607168 /nfs/dbraw/zinc/60/71/68/348607168.db2.gz WGAFDCLSLGPWEG-MNOVXSKESA-N 1 3 228.405 1.860 10 0 BDAEHO CC(C)C[C@H](CNC1CC[NH2+]CC1)N(C)C ZINC000038040778 350303034 /nfs/dbraw/zinc/30/30/34/350303034.db2.gz DBCWZSBCSLBQIQ-CYBMUJFWSA-N 1 3 227.396 1.304 10 0 BDAEHO Cc1nn(CCC[NH+]2CCCC2)c(C)c1CN ZINC000049333973 180387026 /nfs/dbraw/zinc/38/70/26/180387026.db2.gz AQMGYAZWEGCFFB-UHFFFAOYSA-N 1 3 236.363 1.445 10 0 BDAEHO Cc1nn(CC[NH+](C)C)c(C)c1CNC1CC1 ZINC000036868863 180387908 /nfs/dbraw/zinc/38/79/08/180387908.db2.gz WPPLSTYUIRUIEP-UHFFFAOYSA-N 1 3 236.363 1.314 10 0 BDAEHO CC(=[NH2+])N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000307024501 351433377 /nfs/dbraw/zinc/43/33/77/351433377.db2.gz YRBSZFSAOBXAPL-WDNDVIMCSA-N 1 3 229.327 1.704 10 0 BDAEHO C[C@H]1[C@H]([NH3+])CCN1C1CCSCC1 ZINC000307211421 351611623 /nfs/dbraw/zinc/61/16/23/351611623.db2.gz NTQPOSCUYBDDHI-WCBMZHEXSA-N 1 3 200.351 1.304 10 0 BDAEHO CS[C@@H]1CC[N@@H+](C2CCNCC2)C1 ZINC000307232742 351688115 /nfs/dbraw/zinc/68/81/15/351688115.db2.gz DQXNRFBMLKMPRB-SNVBAGLBSA-N 1 3 200.351 1.176 10 0 BDAEHO CS[C@@H]1CC[N@H+](C2CCNCC2)C1 ZINC000307232742 351688117 /nfs/dbraw/zinc/68/81/17/351688117.db2.gz DQXNRFBMLKMPRB-SNVBAGLBSA-N 1 3 200.351 1.176 10 0 BDAEHO CS[C@@H]1CCN(C2CC[NH2+]CC2)C1 ZINC000307232742 351688119 /nfs/dbraw/zinc/68/81/19/351688119.db2.gz DQXNRFBMLKMPRB-SNVBAGLBSA-N 1 3 200.351 1.176 10 0 BDAEHO CC[C@@H]1C[N@@H+]([C@@H](C)[C@@H](C)N)CCCO1 ZINC000300911723 363120500 /nfs/dbraw/zinc/12/05/00/363120500.db2.gz OYFZTHZLWJZPHB-OUAUKWLOSA-N 1 3 200.326 1.223 10 0 BDAEHO CC[C@@H]1C[N@H+]([C@@H](C)[C@@H](C)N)CCCO1 ZINC000300911723 363120505 /nfs/dbraw/zinc/12/05/05/363120505.db2.gz OYFZTHZLWJZPHB-OUAUKWLOSA-N 1 3 200.326 1.223 10 0 BDAEHO C[C@@H](CN)[C@H](C)[N@@H+]1CCS[C@H](C)CC1 ZINC000307494421 352625029 /nfs/dbraw/zinc/62/50/29/352625029.db2.gz HTHLDRSEOCTVEW-AXFHLTTASA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@@H](CN)[C@H](C)[N@H+]1CCS[C@H](C)CC1 ZINC000307494421 352625032 /nfs/dbraw/zinc/62/50/32/352625032.db2.gz HTHLDRSEOCTVEW-AXFHLTTASA-N 1 3 216.394 1.797 10 0 BDAEHO C[C@@H](C[NH3+])[C@H](C)N1CCS[C@H](C)CC1 ZINC000307494421 352625037 /nfs/dbraw/zinc/62/50/37/352625037.db2.gz HTHLDRSEOCTVEW-AXFHLTTASA-N 1 3 216.394 1.797 10 0 BDAEHO C[NH+](C)CCOc1ccc(Cl)cc1CN ZINC000011800998 187817688 /nfs/dbraw/zinc/81/76/88/187817688.db2.gz XEYROFBQZAJUQA-UHFFFAOYSA-N 1 3 228.723 1.739 10 0 BDAEHO C[C@H]1CC[C@@H](C[NH3+])CN1C1CSC1 ZINC000307131048 353056717 /nfs/dbraw/zinc/05/67/17/353056717.db2.gz SPRPYGDTPGOQDZ-IUCAKERBSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1[C@@H](N)CCC[N@@H+]1[C@@H]1CCSC1 ZINC000307604387 353087231 /nfs/dbraw/zinc/08/72/31/353087231.db2.gz VZMJSJGRNIJOEC-BBBLOLIVSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1[C@@H](N)CCC[N@H+]1[C@@H]1CCSC1 ZINC000307604387 353087233 /nfs/dbraw/zinc/08/72/33/353087233.db2.gz VZMJSJGRNIJOEC-BBBLOLIVSA-N 1 3 200.351 1.304 10 0 BDAEHO C1C[C@@H](N[C@H]2CCC[NH2+]CC2)CS1 ZINC000231347021 353595585 /nfs/dbraw/zinc/59/55/85/353595585.db2.gz LZWRIFCEMDEFLV-VHSXEESVSA-N 1 3 200.351 1.224 10 0 BDAEHO C1C[C@@H]([NH2+][C@H]2CCCNCC2)CS1 ZINC000231347021 353595587 /nfs/dbraw/zinc/59/55/87/353595587.db2.gz LZWRIFCEMDEFLV-VHSXEESVSA-N 1 3 200.351 1.224 10 0 BDAEHO CSCCCCC[NH2+][C@H]1CCNC1 ZINC000235179983 363438198 /nfs/dbraw/zinc/43/81/98/363438198.db2.gz XQLMCRHPGHOONJ-JTQLQIEISA-N 1 3 202.367 1.471 10 0 BDAEHO CC(C)N1CCN(CC23CCC(CC2)[NH2+]3)CC1 ZINC000675056688 538479149 /nfs/dbraw/zinc/47/91/49/538479149.db2.gz VIMQSIIPRXMTIV-UHFFFAOYSA-N 1 3 237.391 1.297 10 0 BDAEHO O[C@@H](CN1CCC1)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059866 538485738 /nfs/dbraw/zinc/48/57/38/538485738.db2.gz WUMWWDNRZAAKGV-AWEZNQCLSA-N 1 3 232.327 1.071 10 0 BDAEHO [NH3+][C@@H]1C=C(CC[C@@H]2CCCCO2)CNC1 ZINC000675079124 538517095 /nfs/dbraw/zinc/51/70/95/538517095.db2.gz WQKRILCXZDSKIG-NEPJUHHUSA-N 1 3 210.321 1.193 10 0 BDAEHO C[C@@H]1CNC[C@H](C)[C@H]1[NH+]1CCSCC1 ZINC000685950668 538893853 /nfs/dbraw/zinc/89/38/53/538893853.db2.gz DDSFDTDNQPYURX-URLYPYJESA-N 1 3 214.378 1.279 10 0 BDAEHO COCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000584577794 358092674 /nfs/dbraw/zinc/09/26/74/358092674.db2.gz XTMIAVCBEVUSLM-WDEREUQCSA-N 1 3 200.326 1.001 10 0 BDAEHO C[C@@H]1C[C@@H](N2CCC[C@H]2C[NH3+])CS1 ZINC000252682552 366431884 /nfs/dbraw/zinc/43/18/84/366431884.db2.gz CJWDONXLTOOBBX-KXUCPTDWSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1CSC[C@]1(C[NH3+])N1CCCC1 ZINC000306200516 359028505 /nfs/dbraw/zinc/02/85/05/359028505.db2.gz LRNXVIFXCUMUOP-ZJUUUORDSA-N 1 3 200.351 1.163 10 0 BDAEHO CC(C)N(C)C[C@H]1COC(C)(C)[C@H]1[NH3+] ZINC000306248675 359445710 /nfs/dbraw/zinc/44/57/10/359445710.db2.gz XQUAPWNUMWQDMK-UWVGGRQHSA-N 1 3 200.326 1.079 10 0 BDAEHO C[C@@H]1CSC[C@@H]1N1CCC[C@@H]1C[NH3+] ZINC000306257673 359472590 /nfs/dbraw/zinc/47/25/90/359472590.db2.gz QNAHTWXQHBWLFW-BBBLOLIVSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[NH+](C2CCNCC2)C[C@@H](C)S1 ZINC000069908619 361014918 /nfs/dbraw/zinc/01/49/18/361014918.db2.gz ZOTHJAVNFDNSKK-NXEZZACHSA-N 1 3 214.378 1.564 10 0 BDAEHO C[C@@H]1CN(CCC(N)=[NH2+])C[C@H](C)S1 ZINC000069908663 361015454 /nfs/dbraw/zinc/01/54/54/361015454.db2.gz FKWOSNAEQCJTIY-OCAPTIKFSA-N 1 3 201.339 1.138 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000379723342 361360322 /nfs/dbraw/zinc/36/03/22/361360322.db2.gz NHWIOYURZJFRKO-RWMBFGLXSA-N 1 3 240.391 1.610 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000379723342 361360324 /nfs/dbraw/zinc/36/03/24/361360324.db2.gz NHWIOYURZJFRKO-RWMBFGLXSA-N 1 3 240.391 1.610 10 0 BDAEHO [NH3+]C[C@@H]1CCC[C@H]1NCC1=CCCOC1 ZINC000379735528 361374947 /nfs/dbraw/zinc/37/49/47/361374947.db2.gz JAVFMMGVTICWII-NWDGAFQWSA-N 1 3 210.321 1.050 10 0 BDAEHO NC[C@@H]1CCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379735528 361374952 /nfs/dbraw/zinc/37/49/52/361374952.db2.gz JAVFMMGVTICWII-NWDGAFQWSA-N 1 3 210.321 1.050 10 0 BDAEHO CO[C@@H]1CN(CC(C)C)[C@](C)(C[NH3+])C1 ZINC000630354793 364077735 /nfs/dbraw/zinc/07/77/35/364077735.db2.gz AZIWGHNNKQPZAK-QWRGUYRKSA-N 1 3 200.326 1.081 10 0 BDAEHO CO[C@H]1CN(CCC(C)C)[C@](C)(C[NH3+])C1 ZINC000630356692 364078024 /nfs/dbraw/zinc/07/80/24/364078024.db2.gz TVWSCADFCNKHTD-NEPJUHHUSA-N 1 3 214.353 1.471 10 0 BDAEHO NCC1(C[N@@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000051254850 181359286 /nfs/dbraw/zinc/35/92/86/181359286.db2.gz URVZWCHTNOMSML-GFCCVEGCSA-N 1 3 226.364 1.352 10 0 BDAEHO NCC1(C[N@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000051254850 181359288 /nfs/dbraw/zinc/35/92/88/181359288.db2.gz URVZWCHTNOMSML-GFCCVEGCSA-N 1 3 226.364 1.352 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)[C@H]1CCCNC1 ZINC000573555638 364857531 /nfs/dbraw/zinc/85/75/31/364857531.db2.gz LVXLQCIBXUDVPO-RFQIPJPRSA-N 1 3 240.391 1.515 10 0 BDAEHO CS[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000575914815 365412091 /nfs/dbraw/zinc/41/20/91/365412091.db2.gz FUADHCPNZPHRPK-OUAUKWLOSA-N 1 3 216.394 1.716 10 0 BDAEHO CS[C@H](C)CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000575914815 365412095 /nfs/dbraw/zinc/41/20/95/365412095.db2.gz FUADHCPNZPHRPK-OUAUKWLOSA-N 1 3 216.394 1.716 10 0 BDAEHO CCN1CCC[C@H](N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000386017490 367899198 /nfs/dbraw/zinc/89/91/98/367899198.db2.gz NXMMKXIXEMSACB-HZSPNIEDSA-N 1 3 239.407 1.591 10 0 BDAEHO C[C@@H]1CN([C@H]2CC[C@@H]([NH3+])C2)CCS1 ZINC000252978749 368177037 /nfs/dbraw/zinc/17/70/37/368177037.db2.gz DLGDXSOKPCDVMQ-BBBLOLIVSA-N 1 3 200.351 1.304 10 0 BDAEHO N[C@@H]1CCC[N@H+](C[C@@H]2CCCCS2)C1 ZINC000227021933 371769499 /nfs/dbraw/zinc/76/94/99/371769499.db2.gz HPSAFYUEEBVJRY-MNOVXSKESA-N 1 3 214.378 1.695 10 0 BDAEHO N[C@@H]1CCC[N@@H+](C[C@@H]2CCCCS2)C1 ZINC000227021933 371769505 /nfs/dbraw/zinc/76/95/05/371769505.db2.gz HPSAFYUEEBVJRY-MNOVXSKESA-N 1 3 214.378 1.695 10 0 BDAEHO C[C@H]1SCCN(CCC(C)(C)[NH3+])[C@H]1C ZINC000132466052 371830811 /nfs/dbraw/zinc/83/08/11/371830811.db2.gz XPKGBSJKBVHKTI-VHSXEESVSA-N 1 3 216.394 1.940 10 0 BDAEHO C[C@@H]1C[N@H+](C[Si](C)(C)C)CC[C@@H]1N ZINC000401638616 371796458 /nfs/dbraw/zinc/79/64/58/371796458.db2.gz GODILJJHBWUOJY-ZJUUUORDSA-N 1 3 200.402 1.533 10 0 BDAEHO C[C@@H]1C[N@@H+](C[Si](C)(C)C)CC[C@@H]1N ZINC000401638616 371796466 /nfs/dbraw/zinc/79/64/66/371796466.db2.gz GODILJJHBWUOJY-ZJUUUORDSA-N 1 3 200.402 1.533 10 0 BDAEHO CCCN1CCN(C[C@@H]2CCC[C@@H]2[NH2+]C)CC1 ZINC000053860719 169202825 /nfs/dbraw/zinc/20/28/25/169202825.db2.gz IZPDYOCLQMCIQE-KBPBESRZSA-N 1 3 239.407 1.402 10 0 BDAEHO CCCN1CCN(C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070578421 169203265 /nfs/dbraw/zinc/20/32/65/169203265.db2.gz TZVUIZKMZRKXEH-UONOGXRCSA-N 1 3 239.407 1.532 10 0 BDAEHO CCCN1CCN([C@H](C[NH3+])c2ccccc2)CC1 ZINC000019266887 169203714 /nfs/dbraw/zinc/20/37/14/169203714.db2.gz LGXXSCHJMAPARW-OAHLLOKOSA-N 1 3 247.386 1.714 10 0 BDAEHO CCCN1CCN(Cc2cccc(C[NH3+])c2)CC1 ZINC000022173881 169203766 /nfs/dbraw/zinc/20/37/66/169203766.db2.gz CZWAOQPWRKJMTH-UHFFFAOYSA-N 1 3 247.386 1.673 10 0 BDAEHO CCC[NH2+][C@@H]1CCCC[C@@H]1N(C)CCN(C)C ZINC000104202017 169282150 /nfs/dbraw/zinc/28/21/50/169282150.db2.gz VCLFWHLYQRHFMY-KGLIPLIRSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[C@@H](C)CN1CCN([C@H](CC)C[NH3+])CC1 ZINC000104052466 169357916 /nfs/dbraw/zinc/35/79/16/169357916.db2.gz KZSVWZUOHAUBCG-ZIAGYGMSSA-N 1 3 241.423 1.778 10 0 BDAEHO CCC[C@@H](C)CN1CCN(C[C@H](C)C[NH3+])CC1 ZINC000051297753 169358009 /nfs/dbraw/zinc/35/80/09/169358009.db2.gz ZAGONGYSJKKFCE-ZIAGYGMSSA-N 1 3 241.423 1.635 10 0 BDAEHO CCC[C@@H](C[NH3+])N1CCN(CCC)CC1 ZINC000022218363 169384103 /nfs/dbraw/zinc/38/41/03/169384103.db2.gz XEFMHJXQINPFDO-LBPRGKRZSA-N 1 3 213.369 1.141 10 0 BDAEHO CC[C@@H]1CC[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000226745176 134370845 /nfs/dbraw/zinc/37/08/45/134370845.db2.gz AEKKJFUNZDMRPU-OLZOCXBDSA-N 1 3 228.380 1.733 10 0 BDAEHO CCC[C@@H](CCO)C[NH2+][C@H]1CCCNCC1 ZINC000227417137 134380797 /nfs/dbraw/zinc/38/07/97/134380797.db2.gz WERNYQHKESURDM-STQMWFEESA-N 1 3 228.380 1.517 10 0 BDAEHO [NH3+]Cc1ccnc(OCCN2CCCC2)c1 ZINC000040240041 384131585 /nfs/dbraw/zinc/13/15/85/384131585.db2.gz CYMJKZHKFWVKOH-UHFFFAOYSA-N 1 3 221.304 1.015 10 0 BDAEHO N[C@@H](CCC[NH3+])c1cccc(F)c1F ZINC000575439521 387124001 /nfs/dbraw/zinc/12/40/01/387124001.db2.gz DANAAWDSXDYBDT-VIFPVBQESA-N 1 3 200.232 1.704 10 0 BDAEHO CCN1CCC[C@@H]1CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400591219 387156239 /nfs/dbraw/zinc/15/62/39/387156239.db2.gz UJRHMRDPKHDCKR-YNEHKIRRSA-N 1 3 225.380 1.058 10 0 BDAEHO C[C@@H]1C[C@@H](C2CC[NH2+]CC2)C[C@H](O)N1C ZINC000536950647 387162449 /nfs/dbraw/zinc/16/24/49/387162449.db2.gz QNJMGHVWOFZSOG-JLLWLGSASA-N 1 3 212.337 1.035 10 0 BDAEHO C[C@H]1C[C@@H]([NH3+])CCN1CC1CSC1 ZINC000575487125 387257297 /nfs/dbraw/zinc/25/72/97/387257297.db2.gz KZISQSMGLYVLNU-WPRPVWTQSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1CC1CSC1 ZINC000575487125 387257303 /nfs/dbraw/zinc/25/73/03/387257303.db2.gz KZISQSMGLYVLNU-WPRPVWTQSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@H]1C[C@@H](N)CC[N@H+]1CC1CSC1 ZINC000575487125 387257305 /nfs/dbraw/zinc/25/73/05/387257305.db2.gz KZISQSMGLYVLNU-WPRPVWTQSA-N 1 3 200.351 1.161 10 0 BDAEHO CO[C@H](C)CC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000643464090 387355710 /nfs/dbraw/zinc/35/57/10/387355710.db2.gz SOWILKAIHXIRLU-WOPDTQHZSA-N 1 3 214.353 1.389 10 0 BDAEHO CSCCCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400446243 387344756 /nfs/dbraw/zinc/34/47/56/387344756.db2.gz POZRCNJARQLBKX-NXEZZACHSA-N 1 3 202.367 1.327 10 0 BDAEHO CS[C@@H]1CC[C@@H]1[N@@H+]1CCCNCC1 ZINC000575548364 387645175 /nfs/dbraw/zinc/64/51/75/387645175.db2.gz CXJVEWXICQFEPO-VHSXEESVSA-N 1 3 200.351 1.176 10 0 BDAEHO CS[C@@H]1CC[C@@H]1[N@H+]1CCCNCC1 ZINC000575548364 387645178 /nfs/dbraw/zinc/64/51/78/387645178.db2.gz CXJVEWXICQFEPO-VHSXEESVSA-N 1 3 200.351 1.176 10 0 BDAEHO CC(C)C[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422971214 387821571 /nfs/dbraw/zinc/82/15/71/387821571.db2.gz IHZCOHPNKKBVED-HNGCFSAESA-N 1 3 226.364 1.266 10 0 BDAEHO C[C@@H]1CC(C[NH2+][C@@H]2CCCNCC2)C[C@@H](C)O1 ZINC000423099739 387887321 /nfs/dbraw/zinc/88/73/21/387887321.db2.gz MJUWCPNVUQCREF-YRGRVCCFSA-N 1 3 240.391 1.922 10 0 BDAEHO CO[C@@H](CN[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000362976660 388563181 /nfs/dbraw/zinc/56/31/81/388563181.db2.gz LERHOPVIAWVKNY-NEPJUHHUSA-N 1 3 214.353 1.389 10 0 BDAEHO C[C@H]1CN(CC2CSC2)CC[C@@H]1[NH3+] ZINC000575488498 388880853 /nfs/dbraw/zinc/88/08/53/388880853.db2.gz SMDQROCNKRCAIN-WPRPVWTQSA-N 1 3 200.351 1.019 10 0 BDAEHO C[C@@H]1C[C@@H]([NH3+])CCN1CC1CSC1 ZINC000575487120 388874502 /nfs/dbraw/zinc/87/45/02/388874502.db2.gz KZISQSMGLYVLNU-SCZZXKLOSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC1CSC1 ZINC000575487120 388874504 /nfs/dbraw/zinc/87/45/04/388874504.db2.gz KZISQSMGLYVLNU-SCZZXKLOSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC1CSC1 ZINC000575487120 388874507 /nfs/dbraw/zinc/87/45/07/388874507.db2.gz KZISQSMGLYVLNU-SCZZXKLOSA-N 1 3 200.351 1.161 10 0 BDAEHO C(CN1CC[N@@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000172394975 533359991 /nfs/dbraw/zinc/35/99/91/533359991.db2.gz JIVMBVGQSXBTRW-CQSZACIVSA-N 1 3 237.391 1.252 10 0 BDAEHO C(CN1CC[N@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000172394975 533359993 /nfs/dbraw/zinc/35/99/93/533359993.db2.gz JIVMBVGQSXBTRW-CQSZACIVSA-N 1 3 237.391 1.252 10 0 BDAEHO C[C@@H](NCCN1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400591918 533394560 /nfs/dbraw/zinc/39/45/60/533394560.db2.gz UOOYVGNVOUEOQJ-OLZOCXBDSA-N 1 3 225.380 1.060 10 0 BDAEHO C[C@@H](NCCN1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000400332305 533395574 /nfs/dbraw/zinc/39/55/74/533395574.db2.gz GFTVYJAQLKTSMP-KGLIPLIRSA-N 1 3 239.407 1.450 10 0 BDAEHO CSC1(CN[C@@H](C)[C@@H]2CC[NH2+]C2)CCC1 ZINC000400345121 533510642 /nfs/dbraw/zinc/51/06/42/533510642.db2.gz IERKTNLRDVTPKM-WDEREUQCSA-N 1 3 228.405 1.860 10 0 BDAEHO Cc1cc(N2CCN(C[C@@H](C)O)[C@H](C)C2)cc[nH+]1 ZINC000274402534 132202853 /nfs/dbraw/zinc/20/28/53/132202853.db2.gz YCBYBKLOUDAXIU-CHWSQXEVSA-N 1 3 249.358 1.281 10 0 BDAEHO CC(C)N1CCN(c2ccc(C[NH3+])cn2)CC1 ZINC000036170427 132340310 /nfs/dbraw/zinc/34/03/10/132340310.db2.gz VAEXMARLNFKQGA-UHFFFAOYSA-N 1 3 234.347 1.071 10 0 BDAEHO COC[C@H]([NH2+][C@@H]1CCC[C@H]1CN)C(C)C ZINC000251271590 135068088 /nfs/dbraw/zinc/06/80/88/135068088.db2.gz BXTGYDZMDGHJEQ-TUAOUCFPSA-N 1 3 214.353 1.374 10 0 BDAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCO ZINC000086500700 135087425 /nfs/dbraw/zinc/08/74/25/135087425.db2.gz QBIBFCGVAPHWCB-NEPJUHHUSA-N 1 3 214.353 1.269 10 0 BDAEHO CC1(C)CN(C[C@@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000261538300 135175677 /nfs/dbraw/zinc/17/56/77/135175677.db2.gz XRDOEZCHKGSVNU-QWRGUYRKSA-N 1 3 228.405 1.799 10 0 BDAEHO CC1(C)C[N@H+](CC[C@@H]2CCOC2)CC[C@@H]1N ZINC000261997993 135270449 /nfs/dbraw/zinc/27/04/49/135270449.db2.gz SZZWDMBPLYOOSB-NEPJUHHUSA-N 1 3 226.364 1.472 10 0 BDAEHO CC1(C)C[N@@H+](CC[C@@H]2CCOC2)CC[C@@H]1N ZINC000261997993 135270450 /nfs/dbraw/zinc/27/04/50/135270450.db2.gz SZZWDMBPLYOOSB-NEPJUHHUSA-N 1 3 226.364 1.472 10 0 BDAEHO CC1(C)CN(CC[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261997993 135270451 /nfs/dbraw/zinc/27/04/51/135270451.db2.gz SZZWDMBPLYOOSB-NEPJUHHUSA-N 1 3 226.364 1.472 10 0 BDAEHO CC1(C)C[N@H+](CC[C@@H]2CCOC2)CC[C@H]1N ZINC000261997998 135270530 /nfs/dbraw/zinc/27/05/30/135270530.db2.gz SZZWDMBPLYOOSB-VXGBXAGGSA-N 1 3 226.364 1.472 10 0 BDAEHO CC1(C)C[N@@H+](CC[C@@H]2CCOC2)CC[C@H]1N ZINC000261997998 135270531 /nfs/dbraw/zinc/27/05/31/135270531.db2.gz SZZWDMBPLYOOSB-VXGBXAGGSA-N 1 3 226.364 1.472 10 0 BDAEHO CC1(C)CN(CC[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261997998 135270532 /nfs/dbraw/zinc/27/05/32/135270532.db2.gz SZZWDMBPLYOOSB-VXGBXAGGSA-N 1 3 226.364 1.472 10 0 BDAEHO CC(C)C1CCC(NC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263315533 135345853 /nfs/dbraw/zinc/34/58/53/135345853.db2.gz ZKGRMLJQJPBJRM-GNRIBBGQSA-N 1 3 240.391 1.371 10 0 BDAEHO CC(C)C1CCC([NH2+]C[C@@H]2CNC[C@H]2O)CC1 ZINC000263315533 135345854 /nfs/dbraw/zinc/34/58/54/135345854.db2.gz ZKGRMLJQJPBJRM-GNRIBBGQSA-N 1 3 240.391 1.371 10 0 BDAEHO C[C@@H](O)[C@H]1CCN(CCC[NH+]2CCCC2)C1 ZINC000166116909 136074367 /nfs/dbraw/zinc/07/43/67/136074367.db2.gz SETXOWGPMPTXDC-OLZOCXBDSA-N 1 3 226.364 1.175 10 0 BDAEHO C[C@@H](NCCc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000564825399 398045990 /nfs/dbraw/zinc/04/59/90/398045990.db2.gz CYCNMEPNJVVOBH-NEPJUHHUSA-N 1 3 222.332 1.800 10 0 BDAEHO C[C@@H]([NH2+]CCc1ccco1)[C@H]1CCCNC1 ZINC000564825399 398045994 /nfs/dbraw/zinc/04/59/94/398045994.db2.gz CYCNMEPNJVVOBH-NEPJUHHUSA-N 1 3 222.332 1.800 10 0 BDAEHO C[C@H](CNC(=O)OC(C)(C)C)NC[C@@H](C)C[NH3+] ZINC000307296912 398062777 /nfs/dbraw/zinc/06/27/77/398062777.db2.gz RKKOMYCZVYTMOE-VHSXEESVSA-N 1 3 245.367 1.084 10 0 BDAEHO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)CN ZINC000307296912 398062780 /nfs/dbraw/zinc/06/27/80/398062780.db2.gz RKKOMYCZVYTMOE-VHSXEESVSA-N 1 3 245.367 1.084 10 0 BDAEHO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCN ZINC000042377619 167031531 /nfs/dbraw/zinc/03/15/31/167031531.db2.gz KGECTSOBDNYSAV-FUNVUKJBSA-N 1 3 225.380 1.044 10 0 BDAEHO CC(C)C[NH2+]CCCCN1CCN(C)[C@@H](C)C1 ZINC000104132403 167002712 /nfs/dbraw/zinc/00/27/12/167002712.db2.gz WZXNHWZXDWPDQU-AWEZNQCLSA-N 1 3 241.423 1.648 10 0 BDAEHO CC(C)C[NH2+]C[C@@H]1CC[C@H](CN(C)C2CC2)O1 ZINC000052445581 167007069 /nfs/dbraw/zinc/00/70/69/167007069.db2.gz VEUPOYYPVVJXHX-UONOGXRCSA-N 1 3 240.391 1.874 10 0 BDAEHO C[C@H](Cc1ccccn1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000656193368 411200472 /nfs/dbraw/zinc/20/04/72/411200472.db2.gz IFMFKPZUFVINOQ-UPJWGTAASA-N 1 3 233.359 1.600 10 0 BDAEHO COCC1(CN[C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000656199910 411205111 /nfs/dbraw/zinc/20/51/11/411205111.db2.gz GJGLZJHTIXKAOR-WDEREUQCSA-N 1 3 212.337 1.001 10 0 BDAEHO CCN1CC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC000052172163 170015937 /nfs/dbraw/zinc/01/59/37/170015937.db2.gz NLVKNCWMLUWKHA-CYBMUJFWSA-N 1 3 226.364 1.344 10 0 BDAEHO CC[NH2+]CC(C)(C)CN1CCCC[C@@H]1CCO ZINC000051213535 170110577 /nfs/dbraw/zinc/11/05/77/170110577.db2.gz SHZIGSWMCGMBJL-CYBMUJFWSA-N 1 3 242.407 1.859 10 0 BDAEHO CC[NH2+]CCC[C@@H](C)N1CCN(C(C)C)CC1 ZINC000052480089 170112634 /nfs/dbraw/zinc/11/26/34/170112634.db2.gz FTPLMZURQHVLGU-CQSZACIVSA-N 1 3 241.423 1.791 10 0 BDAEHO CCNCc1cnc(CC[NH+](CC)CC)nc1 ZINC000054855713 170130333 /nfs/dbraw/zinc/13/03/33/170130333.db2.gz BVYYQFMCLDIYJQ-UHFFFAOYSA-N 1 3 236.363 1.470 10 0 BDAEHO CCN[C@@H](CC[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000061711962 170144862 /nfs/dbraw/zinc/14/48/62/170144862.db2.gz NILSMORDHVDOKE-GJZGRUSLSA-N 1 3 248.370 1.794 10 0 BDAEHO CCN[C@@H](CC[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000061711962 170144864 /nfs/dbraw/zinc/14/48/64/170144864.db2.gz NILSMORDHVDOKE-GJZGRUSLSA-N 1 3 248.370 1.794 10 0 BDAEHO C[C@H](NCCO[C@H]1CC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000665243906 412187491 /nfs/dbraw/zinc/18/74/91/412187491.db2.gz AUUBCYMYSPNWSV-AXFHLTTASA-N 1 3 248.317 1.388 10 0 BDAEHO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)[C@@H]1CCCNC1 ZINC000665243906 412187493 /nfs/dbraw/zinc/18/74/93/412187493.db2.gz AUUBCYMYSPNWSV-AXFHLTTASA-N 1 3 248.317 1.388 10 0 BDAEHO C[C@H](NC[C@H]1CCC[C@@H](C)O1)[C@H]1CCC[NH2+]C1 ZINC000665265031 412209359 /nfs/dbraw/zinc/20/93/59/412209359.db2.gz OANJAPWRFZWQRV-ZOBORPQBSA-N 1 3 240.391 1.922 10 0 BDAEHO CN1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000037484656 173147710 /nfs/dbraw/zinc/14/77/10/173147710.db2.gz XMHYPQQLDKYWSH-SNVBAGLBSA-N 1 3 210.346 1.789 10 0 BDAEHO C[N@@H+]1CC[C@](CN)(Nc2ccccc2)C1 ZINC000082643360 173162368 /nfs/dbraw/zinc/16/23/68/173162368.db2.gz XLBBVWPHPLGKOU-GFCCVEGCSA-N 1 3 205.305 1.132 10 0 BDAEHO C[N@H+]1CC[C@](CN)(Nc2ccccc2)C1 ZINC000082643360 173162370 /nfs/dbraw/zinc/16/23/70/173162370.db2.gz XLBBVWPHPLGKOU-GFCCVEGCSA-N 1 3 205.305 1.132 10 0 BDAEHO C[NH2+]C[C@H]1CCCN(C2CCSCC2)C1 ZINC000042335295 173378837 /nfs/dbraw/zinc/37/88/37/173378837.db2.gz IJOUMZDPQZHSKE-LLVKDONJSA-N 1 3 228.405 1.813 10 0 BDAEHO CNC[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000042335295 173378838 /nfs/dbraw/zinc/37/88/38/173378838.db2.gz IJOUMZDPQZHSKE-LLVKDONJSA-N 1 3 228.405 1.813 10 0 BDAEHO CNC[C@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000042335295 173378840 /nfs/dbraw/zinc/37/88/40/173378840.db2.gz IJOUMZDPQZHSKE-LLVKDONJSA-N 1 3 228.405 1.813 10 0 BDAEHO CNC[C@]1(C[NH+]2CCCCCC2)CCOC1 ZINC000051210415 173384483 /nfs/dbraw/zinc/38/44/83/173384483.db2.gz YSQJFBBQUGXSPM-ZDUSSCGKSA-N 1 3 226.364 1.489 10 0 BDAEHO C[NH2+]C[C@]1(CN2CCCCCC2)CCOC1 ZINC000051210415 173384485 /nfs/dbraw/zinc/38/44/85/173384485.db2.gz YSQJFBBQUGXSPM-ZDUSSCGKSA-N 1 3 226.364 1.489 10 0 BDAEHO COC1CCN(C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000053866141 174029233 /nfs/dbraw/zinc/02/92/33/174029233.db2.gz ASXHVSKJBQEIPT-CMPLNLGQSA-N 1 3 212.337 1.225 10 0 BDAEHO COCCC[N@H+](CCOC)[C@@H]1CCCC[C@@H]1N ZINC000042421832 174226952 /nfs/dbraw/zinc/22/69/52/174226952.db2.gz CYOMIXWCNCCQDN-QWHCGFSZSA-N 1 3 244.379 1.241 10 0 BDAEHO COCCC[N@@H+](CCOC)[C@@H]1CCCC[C@@H]1N ZINC000042421832 174226954 /nfs/dbraw/zinc/22/69/54/174226954.db2.gz CYOMIXWCNCCQDN-QWHCGFSZSA-N 1 3 244.379 1.241 10 0 BDAEHO COCC[N@H+](C)CC[C@@H](N)c1ccc(F)cc1 ZINC000053984529 174279489 /nfs/dbraw/zinc/27/94/89/174279489.db2.gz UTVPWPVYCZQDNA-CYBMUJFWSA-N 1 3 240.322 1.794 10 0 BDAEHO COCC[N@@H+](C)CC[C@@H](N)c1ccc(F)cc1 ZINC000053984529 174279491 /nfs/dbraw/zinc/27/94/91/174279491.db2.gz UTVPWPVYCZQDNA-CYBMUJFWSA-N 1 3 240.322 1.794 10 0 BDAEHO C[C@@H]1CCCC[C@@]1(CN)[NH+]1CCN(C)CC1 ZINC000019435306 176083640 /nfs/dbraw/zinc/08/36/40/176083640.db2.gz FAZWFZCWQAGAJL-OLZOCXBDSA-N 1 3 225.380 1.141 10 0 BDAEHO C[C@@H]1CC[N@H+](CCc2ccccc2)CCN1 ZINC000049661494 176171297 /nfs/dbraw/zinc/17/12/97/176171297.db2.gz GUCLDWZNWJCGHV-CYBMUJFWSA-N 1 3 218.344 1.913 10 0 BDAEHO C[C@@H]1CC[N@@H+](CCc2ccccc2)CCN1 ZINC000049661494 176171299 /nfs/dbraw/zinc/17/12/99/176171299.db2.gz GUCLDWZNWJCGHV-CYBMUJFWSA-N 1 3 218.344 1.913 10 0 BDAEHO C[C@@H]1C[N@@H+](C2CCCCCC2)C[C@H](CN)O1 ZINC000071532962 176283172 /nfs/dbraw/zinc/28/31/72/176283172.db2.gz IVXJAOYUURNWBL-YPMHNXCESA-N 1 3 226.364 1.757 10 0 BDAEHO C[C@@H]1C[N@H+](C2CCCCCC2)C[C@H](CN)O1 ZINC000071532962 176283173 /nfs/dbraw/zinc/28/31/73/176283173.db2.gz IVXJAOYUURNWBL-YPMHNXCESA-N 1 3 226.364 1.757 10 0 BDAEHO C[C@@H]1C[NH2+]CCN(C[C@@H]2CCCCN2C)C1 ZINC000044564204 176325268 /nfs/dbraw/zinc/32/52/68/176325268.db2.gz HSSPRCBDGMSDRF-OLZOCXBDSA-N 1 3 225.380 1.012 10 0 BDAEHO C[C@@H]1CSC(NC[C@@H]2CCN(C)C2)=[NH+]1 ZINC000037485237 176349476 /nfs/dbraw/zinc/34/94/76/176349476.db2.gz MLBNXSIDYPKPNR-BDAKNGLRSA-N 1 3 213.350 1.019 10 0 BDAEHO C[C@H]1CC[NH+](CC2CCOCC2)CC[C@H](C)N1 ZINC000104188318 177158669 /nfs/dbraw/zinc/15/86/69/177158669.db2.gz ZJDFWVWKCVIXBB-STQMWFEESA-N 1 3 240.391 1.875 10 0 BDAEHO C[C@@H]1CN[C@@H](C)CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000044982860 177162585 /nfs/dbraw/zinc/16/25/85/177162585.db2.gz IIMXKKUVFQYJSK-RDBSUJKOSA-N 1 3 240.391 1.733 10 0 BDAEHO C[C@@H]1CN[C@@H](C)CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000044982860 177162587 /nfs/dbraw/zinc/16/25/87/177162587.db2.gz IIMXKKUVFQYJSK-RDBSUJKOSA-N 1 3 240.391 1.733 10 0 BDAEHO C[C@@H](Cc1ccco1)[N@@H+]1CCNC[C@H](C)C1 ZINC000049662352 177282593 /nfs/dbraw/zinc/28/25/93/177282593.db2.gz OACGDAXIOJZCGR-RYUDHWBXSA-N 1 3 222.332 1.752 10 0 BDAEHO C[C@@H](Cc1ccco1)[N@H+]1CCNC[C@H](C)C1 ZINC000049662352 177282594 /nfs/dbraw/zinc/28/25/94/177282594.db2.gz OACGDAXIOJZCGR-RYUDHWBXSA-N 1 3 222.332 1.752 10 0 BDAEHO CSC1(CN[C@H](C)[C@@H]2CC[NH2+]C2)CCC1 ZINC000400345115 225029492 /nfs/dbraw/zinc/02/94/92/225029492.db2.gz IERKTNLRDVTPKM-GHMZBOCLSA-N 1 3 228.405 1.860 10 0 BDAEHO Cc1cccc(OCCN[C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400435506 226343549 /nfs/dbraw/zinc/34/35/49/226343549.db2.gz LCRMZRAZUNWVKM-ZIAGYGMSSA-N 1 3 248.370 1.961 10 0 BDAEHO CO[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400721341 226350612 /nfs/dbraw/zinc/35/06/12/226350612.db2.gz ONTQVTPYOSYLJR-GRYCIOLGSA-N 1 3 214.353 1.245 10 0 BDAEHO CO[C@@H]([C@H](C)N[C@H](C)[C@H]1CC[NH2+]C1)C1CC1 ZINC000400757450 226351581 /nfs/dbraw/zinc/35/15/81/226351581.db2.gz XIOIEPAHUXNBSE-URBCHYCLSA-N 1 3 226.364 1.388 10 0 BDAEHO C[C@H](N[C@H]1CSC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000306966888 229399484 /nfs/dbraw/zinc/39/94/84/229399484.db2.gz MCRFFJDVKQIGQN-YTWAJWBKSA-N 1 3 214.378 1.326 10 0 BDAEHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)C1 ZINC000086403168 487720361 /nfs/dbraw/zinc/72/03/61/487720361.db2.gz HKYDZCQMQKBYBU-KXNHARMFSA-N 1 3 212.337 1.149 10 0 BDAEHO CCC(O)(CC)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000571312876 323140998 /nfs/dbraw/zinc/14/09/98/323140998.db2.gz IUXBFVPQJPMTHM-RYUDHWBXSA-N 1 3 228.380 1.515 10 0 BDAEHO CCC(O)(CC)CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000571312876 323140999 /nfs/dbraw/zinc/14/09/99/323140999.db2.gz IUXBFVPQJPMTHM-RYUDHWBXSA-N 1 3 228.380 1.515 10 0 BDAEHO CCOCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000566791112 326082763 /nfs/dbraw/zinc/08/27/63/326082763.db2.gz RORFQAVBASANGD-NWDGAFQWSA-N 1 3 214.353 1.391 10 0 BDAEHO COC(=O)C(C)(C)CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566666223 326072504 /nfs/dbraw/zinc/07/25/04/326072504.db2.gz ZGCRRJCWZLACGF-WDEREUQCSA-N 1 3 242.363 1.163 10 0 BDAEHO COC(=O)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000566666223 326072507 /nfs/dbraw/zinc/07/25/07/326072507.db2.gz ZGCRRJCWZLACGF-WDEREUQCSA-N 1 3 242.363 1.163 10 0 BDAEHO CN(C)C1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000310537508 488099197 /nfs/dbraw/zinc/09/91/97/488099197.db2.gz RQZRZHNJUTUTCX-JSGCOSHPSA-N 1 3 240.391 1.564 10 0 BDAEHO c1ccc2c(c1)C[C@H]2CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090978323 491130303 /nfs/dbraw/zinc/13/03/03/491130303.db2.gz GUXLWIUWISZRMI-MELADBBJSA-N 1 3 228.339 1.478 10 0 BDAEHO C[C@H](NCCOC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400515081 533858990 /nfs/dbraw/zinc/85/89/90/533858990.db2.gz KGTBDKLFZVKRSR-NWDGAFQWSA-N 1 3 226.364 1.533 10 0 BDAEHO C[C@H](NCCc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000400527156 533869780 /nfs/dbraw/zinc/86/97/80/533869780.db2.gz QLXFIUWIJYFEHI-WCQYABFASA-N 1 3 236.334 1.956 10 0 BDAEHO C[NH2+]C[C@H]1CCCN(c2ccncc2)C1 ZINC000040602175 536466258 /nfs/dbraw/zinc/46/62/58/536466258.db2.gz NJJJSYJXDWMQJD-LLVKDONJSA-N 1 3 205.305 1.517 10 0 BDAEHO CCC[C@H](CCO)CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400709308 528126682 /nfs/dbraw/zinc/12/66/82/528126682.db2.gz LVTCVQNOFFDDCP-JHJVBQTASA-N 1 3 228.380 1.373 10 0 BDAEHO CCC[C@](C)(O)CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400427497 528484637 /nfs/dbraw/zinc/48/46/37/528484637.db2.gz ZCENNFSACSIILK-WOPDTQHZSA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)C[C@H](CN(C)C)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400353309 528501752 /nfs/dbraw/zinc/50/17/52/528501752.db2.gz LCFDAWWGMOUGBL-MELADBBJSA-N 1 3 241.423 1.550 10 0 BDAEHO CCC(CC)(CO)CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400747443 528707215 /nfs/dbraw/zinc/70/72/15/528707215.db2.gz UTUGANCAHLESMO-VXGBXAGGSA-N 1 3 228.380 1.373 10 0 BDAEHO CCN1CCC[C@H](N[C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400430822 529091660 /nfs/dbraw/zinc/09/16/60/529091660.db2.gz BPZNZRNUOZRXKZ-AGIUHOORSA-N 1 3 225.380 1.058 10 0 BDAEHO CN(CCC[NH+]1CCCC1)[C@H]1CCCC[C@H]1O ZINC000252921701 536346921 /nfs/dbraw/zinc/34/69/21/536346921.db2.gz HMJUIGKJIBSYIM-UONOGXRCSA-N 1 3 240.391 1.708 10 0 BDAEHO CN1CCC2(CC1)[NH2+][C@H](C1CC1)CCO2 ZINC000757149926 582533688 /nfs/dbraw/zinc/53/36/88/582533688.db2.gz WWHBZQLCPNNTBI-NSHDSACASA-N 1 3 210.321 1.197 10 0 BDAEHO CC(C)N1CCN([C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396718805 583089191 /nfs/dbraw/zinc/08/91/91/583089191.db2.gz PMGJPXKZHHFJKA-CHWSQXEVSA-N 1 3 225.380 1.153 10 0 BDAEHO C[C@@H]1CN2C(=N1)N=CC=C2[C@H]1CCC[NH2+]C1 ZINC000235422139 583209521 /nfs/dbraw/zinc/20/95/21/583209521.db2.gz WMHSDAPIAFKQMB-ZJUUUORDSA-N 1 3 218.304 1.014 10 0 BDAEHO CC(C)C1CCC2(CC1)[NH2+]CCC1(CNC1)O2 ZINC000757141567 586427740 /nfs/dbraw/zinc/42/77/40/586427740.db2.gz AGQPIDHXGQIVTM-UHFFFAOYSA-N 1 3 238.375 1.881 10 0 BDAEHO CC(C)CN1CCC2(CC1)[NH2+]CC[C@@H](C)O2 ZINC000757145715 586428049 /nfs/dbraw/zinc/42/80/49/586428049.db2.gz QGLKLZSUGCRFHI-GFCCVEGCSA-N 1 3 226.364 1.833 10 0 BDAEHO NC[C@H]1C[NH2+]C[C@@H](c2cccc3cc[nH]c32)C1 ZINC000757206986 586437430 /nfs/dbraw/zinc/43/74/30/586437430.db2.gz ATZIDYFCPBGXAZ-JQWIXIFHSA-N 1 3 229.327 1.820 10 0 BDAEHO [NH3+]C[C@H]1CNC[C@@H](c2cccc3cc[nH]c32)C1 ZINC000757206986 586437431 /nfs/dbraw/zinc/43/74/31/586437431.db2.gz ATZIDYFCPBGXAZ-JQWIXIFHSA-N 1 3 229.327 1.820 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1C[NH2+]C[C@H](CN)C1 ZINC000757237360 586443572 /nfs/dbraw/zinc/44/35/72/586443572.db2.gz PXMBKHZECYVMFV-QWRGUYRKSA-N 1 3 219.332 1.229 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1CNC[C@H](C[NH3+])C1 ZINC000757237360 586443573 /nfs/dbraw/zinc/44/35/73/586443573.db2.gz PXMBKHZECYVMFV-QWRGUYRKSA-N 1 3 219.332 1.229 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1N[C@@H](C)CC[C@@H]1C[NH3+] ZINC000757238529 586444436 /nfs/dbraw/zinc/44/44/36/586444436.db2.gz SNBNPHHBLVWCQI-MISXGVKJSA-N 1 3 233.359 1.965 10 0 BDAEHO NCc1ccc(-c2cccc(C[NH3+])c2)nn1 ZINC000757571023 586462735 /nfs/dbraw/zinc/46/27/35/586462735.db2.gz HWGVCSQXEMEQKB-UHFFFAOYSA-N 1 3 214.272 1.061 10 0 BDAEHO CCN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC000322409907 636863104 /nfs/dbraw/zinc/86/31/04/636863104.db2.gz YNCAJBMOCHARLB-FUDCBSFHSA-N 1 3 237.391 1.295 10 0 BDAEHO CCN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC000322409908 636863486 /nfs/dbraw/zinc/86/34/86/636863486.db2.gz YNCAJBMOCHARLB-RLAWYHOSSA-N 1 3 237.391 1.295 10 0 BDAEHO C[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000164657283 640494453 /nfs/dbraw/zinc/49/44/53/640494453.db2.gz NJTQQHIHIUDOBZ-WOPDTQHZSA-N 1 3 212.337 1.082 10 0 BDAEHO FC(F)(F)SCCN[C@@H]1CCC[NH2+]CC1 ZINC000231938047 641216989 /nfs/dbraw/zinc/21/69/89/641216989.db2.gz QHDMWRWSMJVRMS-MRVPVSSYSA-N 1 3 242.310 1.971 10 0 BDAEHO C[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000253236129 642633336 /nfs/dbraw/zinc/63/33/36/642633336.db2.gz NJTQQHIHIUDOBZ-GRYCIOLGSA-N 1 3 212.337 1.082 10 0 BDAEHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2CCCO2)C1 ZINC000082645566 643363100 /nfs/dbraw/zinc/36/31/00/643363100.db2.gz VRYJPWNQEQQBLN-TUAOUCFPSA-N 1 3 212.337 1.225 10 0 BDAEHO CC[C@@H](COC)N1CCC([NH3+])(CC)CC1 ZINC000714754345 712497762 /nfs/dbraw/zinc/49/77/62/712497762.db2.gz RVYPQJHPNSCROB-NSHDSACASA-N 1 3 214.353 1.615 10 0 BDAEHO Cc1ccc(OCCN2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000708839342 712200541 /nfs/dbraw/zinc/20/05/41/712200541.db2.gz CWDHGJGCJISVIS-KBPBESRZSA-N 1 3 248.370 1.900 10 0 BDAEHO C[C@@H](NCCc1ccns1)[C@@H]1CCC[NH2+]C1 ZINC000709985270 712237305 /nfs/dbraw/zinc/23/73/05/712237305.db2.gz SEZSAKXTZIXFHC-GHMZBOCLSA-N 1 3 239.388 1.663 10 0 BDAEHO c1cc(CCN[C@H]2CCC[NH2+]CC2)sn1 ZINC000710024864 712241599 /nfs/dbraw/zinc/24/15/99/712241599.db2.gz BWXUMRCTWWGDDP-JTQLQIEISA-N 1 3 225.361 1.417 10 0 BDAEHO C[C@H](NC[C@H]1CCC(C)(C)CO1)[C@H]1CC[NH2+]C1 ZINC000711248900 712291023 /nfs/dbraw/zinc/29/10/23/712291023.db2.gz JNWSUMCVKZNQGJ-RWMBFGLXSA-N 1 3 240.391 1.779 10 0 BDAEHO CC1(C)CC[C@@H](CN[C@@H]2CCC[NH2+]CC2)OC1 ZINC000711390895 712297188 /nfs/dbraw/zinc/29/71/88/712297188.db2.gz PGSBJAPKXVVFAR-OLZOCXBDSA-N 1 3 240.391 1.923 10 0 BDAEHO COCC1CC(N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000713976393 712475698 /nfs/dbraw/zinc/47/56/98/712475698.db2.gz FJQPJWPNDMHTTK-WNYYMSAVSA-N 1 3 212.337 1.142 10 0 BDAEHO C([NH2+][C@@H]1CCNC1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000716047537 712548344 /nfs/dbraw/zinc/54/83/44/712548344.db2.gz WFDVCOSNAGEOKR-RDFFEMEHSA-N 1 3 226.389 1.612 10 0 BDAEHO C1=CO[C@@H](CN[C@H]2CCC[NH2+]CC2)CC1 ZINC000380028102 712683301 /nfs/dbraw/zinc/68/33/01/712683301.db2.gz WRIOGXZMHXXOTF-NWDGAFQWSA-N 1 3 210.321 1.411 10 0 BDAEHO CN(C)Cc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000062114025 349438394 /nfs/dbraw/zinc/43/83/94/349438394.db2.gz OPWRQNHKXZLNNN-GFCCVEGCSA-N 1 3 247.342 1.296 10 0 BDAEHO C[C@]1(C[NH2+][C@@H]2CCCNCC2)CCOC1 ZINC000335034387 136214825 /nfs/dbraw/zinc/21/48/25/136214825.db2.gz QUPVPBHVJDPPHK-VXGBXAGGSA-N 1 3 212.337 1.145 10 0 BDAEHO C[NH2+]C[C@H]1CCN([C@@H]2CCCSC2)C1 ZINC000070798707 361758364 /nfs/dbraw/zinc/75/83/64/361758364.db2.gz UBZZTJZRQULCIR-GHMZBOCLSA-N 1 3 214.378 1.423 10 0 BDAEHO CCC(CC)N(CCOC)C[C@H]1C[NH2+]C[C@@H]1C ZINC000104216430 168373974 /nfs/dbraw/zinc/37/39/74/168373974.db2.gz GJYXXJMCRTWHSF-QWHCGFSZSA-N 1 3 242.407 1.979 10 0 BDAEHO C[N@H+](C[C@@H](O)CN)C[C@@H]1CCCCC1(F)F ZINC000381724255 398270178 /nfs/dbraw/zinc/27/01/78/398270178.db2.gz RYIHNJBEZGSRDP-UWVGGRQHSA-N 1 3 236.306 1.063 10 0 BDAEHO C[N@@H+](C[C@@H](O)CN)C[C@@H]1CCCCC1(F)F ZINC000381724255 398270180 /nfs/dbraw/zinc/27/01/80/398270180.db2.gz RYIHNJBEZGSRDP-UWVGGRQHSA-N 1 3 236.306 1.063 10 0 BDAEHO C[C@H](C[NH2+]CCCNCCO)c1ccccc1 ZINC000013732734 342870979 /nfs/dbraw/zinc/87/09/79/342870979.db2.gz DHISMQLBQIMJLV-CYBMUJFWSA-N 1 3 236.359 1.352 10 0 BDAEHO CC[C@H](CSC)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400560177 529415662 /nfs/dbraw/zinc/41/56/62/529415662.db2.gz LCHOTQOPZJQUMP-GARJFASQSA-N 1 3 216.394 1.716 10 0 BDAEHO CCCC1CCC(NC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000262117604 534927424 /nfs/dbraw/zinc/92/74/24/534927424.db2.gz LKJVEDCFAMJIJM-YIOUJQMASA-N 1 3 240.391 1.515 10 0 BDAEHO CCCC1CCC([NH2+]C[C@@H]2CNC[C@@H]2O)CC1 ZINC000262117604 534927429 /nfs/dbraw/zinc/92/74/29/534927429.db2.gz LKJVEDCFAMJIJM-YIOUJQMASA-N 1 3 240.391 1.515 10 0 BDAEHO C[C@H](NCCc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000580312131 346893295 /nfs/dbraw/zinc/89/32/95/346893295.db2.gz PAOIPFJALVXHIZ-GXTWGEPZSA-N 1 3 233.359 1.602 10 0 BDAEHO C[C@H]([NH2+]CCc1ccncc1)[C@@H]1CCCNC1 ZINC000580312131 346893299 /nfs/dbraw/zinc/89/32/99/346893299.db2.gz PAOIPFJALVXHIZ-GXTWGEPZSA-N 1 3 233.359 1.602 10 0 BDAEHO CC(C)[N@@H+]1CC[C@@H](N)C12CCN(C1CC1)CC2 ZINC000712057616 537784319 /nfs/dbraw/zinc/78/43/19/537784319.db2.gz DGLMUHSHIYHHNV-CYBMUJFWSA-N 1 3 237.391 1.425 10 0 BDAEHO CC(C)[N@H+]1CC[C@@H](N)C12CCN(C1CC1)CC2 ZINC000712057616 537784324 /nfs/dbraw/zinc/78/43/24/537784324.db2.gz DGLMUHSHIYHHNV-CYBMUJFWSA-N 1 3 237.391 1.425 10 0 BDAEHO CCOC[C@H]1CC[N@@H+](C2CCNCC2)C1 ZINC000409433999 343831072 /nfs/dbraw/zinc/83/10/72/343831072.db2.gz ZMEWGMSQRYSZFW-NSHDSACASA-N 1 3 212.337 1.097 10 0 BDAEHO CCOC[C@H]1CC[N@H+](C2CCNCC2)C1 ZINC000409433999 343831073 /nfs/dbraw/zinc/83/10/73/343831073.db2.gz ZMEWGMSQRYSZFW-NSHDSACASA-N 1 3 212.337 1.097 10 0 BDAEHO CCOC[C@H]1CCN(C2CC[NH2+]CC2)C1 ZINC000409433999 343831074 /nfs/dbraw/zinc/83/10/74/343831074.db2.gz ZMEWGMSQRYSZFW-NSHDSACASA-N 1 3 212.337 1.097 10 0 BDAEHO CCC[C@H]1C[N@@H+](C2CCNCC2)CC[C@H]1O ZINC000409436404 343839170 /nfs/dbraw/zinc/83/91/70/343839170.db2.gz ZPSDJSYCRWWVGS-WCQYABFASA-N 1 3 226.364 1.221 10 0 BDAEHO CCC[C@H]1C[N@H+](C2CCNCC2)CC[C@H]1O ZINC000409436404 343839172 /nfs/dbraw/zinc/83/91/72/343839172.db2.gz ZPSDJSYCRWWVGS-WCQYABFASA-N 1 3 226.364 1.221 10 0 BDAEHO CCC[C@H]1CN(C2CC[NH2+]CC2)CC[C@H]1O ZINC000409436404 343839174 /nfs/dbraw/zinc/83/91/74/343839174.db2.gz ZPSDJSYCRWWVGS-WCQYABFASA-N 1 3 226.364 1.221 10 0 BDAEHO O[C@H]1CC[N@@H+](C2CCNCC2)C[C@H]1CC1CC1 ZINC000409435753 343839929 /nfs/dbraw/zinc/83/99/29/343839929.db2.gz WJVHUMGURGNWTL-OCCSQVGLSA-N 1 3 238.375 1.221 10 0 BDAEHO O[C@H]1CC[N@H+](C2CCNCC2)C[C@H]1CC1CC1 ZINC000409435753 343839930 /nfs/dbraw/zinc/83/99/30/343839930.db2.gz WJVHUMGURGNWTL-OCCSQVGLSA-N 1 3 238.375 1.221 10 0 BDAEHO O[C@H]1CCN(C2CC[NH2+]CC2)C[C@H]1CC1CC1 ZINC000409435753 343839931 /nfs/dbraw/zinc/83/99/31/343839931.db2.gz WJVHUMGURGNWTL-OCCSQVGLSA-N 1 3 238.375 1.221 10 0 BDAEHO CS[C@H]1CCC[C@H]1[NH2+]C1CC(N)C1 ZINC000235256643 344859606 /nfs/dbraw/zinc/85/96/06/344859606.db2.gz ZHAAROBWYUVSAF-BMNUFHGDSA-N 1 3 200.351 1.350 10 0 BDAEHO CS[C@H]1CCC[C@H]1NC1CC([NH3+])C1 ZINC000235256643 344859607 /nfs/dbraw/zinc/85/96/07/344859607.db2.gz ZHAAROBWYUVSAF-BMNUFHGDSA-N 1 3 200.351 1.350 10 0 BDAEHO CCC[C@H](CCO)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000635006072 345210746 /nfs/dbraw/zinc/21/07/46/345210746.db2.gz XHXXUCILHQWPIQ-IJLUTSLNSA-N 1 3 214.353 1.125 10 0 BDAEHO CC[C@H]1CN(Cc2ccccc2)CC[C@]1(O)C[NH3+] ZINC000307700343 345903959 /nfs/dbraw/zinc/90/39/59/345903959.db2.gz LWSCMQGDXGIKOZ-GJZGRUSLSA-N 1 3 248.370 1.608 10 0 BDAEHO CC1CC[NH+](CCn2ccnc2N)CC1 ZINC000723465768 537934994 /nfs/dbraw/zinc/93/49/94/537934994.db2.gz BMTSLNBFMZPHCL-UHFFFAOYSA-N 1 3 208.309 1.197 10 0 BDAEHO COCCC1(C[NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000571431591 323144633 /nfs/dbraw/zinc/14/46/33/323144633.db2.gz VLNWMJXXRDZCJP-CHWSQXEVSA-N 1 3 240.391 1.781 10 0 BDAEHO Cc1ccccc1CN(C)[C@]1(CN)CC[N@H+](C)C1 ZINC000061990392 179268575 /nfs/dbraw/zinc/26/85/75/179268575.db2.gz NKZKQZFWAITTGP-HNNXBMFYSA-N 1 3 247.386 1.460 10 0 BDAEHO Cc1ccccc1CN(C)[C@]1(CN)CC[N@@H+](C)C1 ZINC000061990392 179268577 /nfs/dbraw/zinc/26/85/77/179268577.db2.gz NKZKQZFWAITTGP-HNNXBMFYSA-N 1 3 247.386 1.460 10 0 BDAEHO CSCCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000591567836 347670948 /nfs/dbraw/zinc/67/09/48/347670948.db2.gz VWWHJLHAHHMCDG-NXEZZACHSA-N 1 3 202.367 1.327 10 0 BDAEHO CSCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000591567836 347670950 /nfs/dbraw/zinc/67/09/50/347670950.db2.gz VWWHJLHAHHMCDG-NXEZZACHSA-N 1 3 202.367 1.327 10 0 BDAEHO C[C@@H]1CN([C@H]2CCSC2)CC[C@H]1[NH3+] ZINC000251736594 362902152 /nfs/dbraw/zinc/90/21/52/362902152.db2.gz KPEOYBKZSKYBFZ-KXUCPTDWSA-N 1 3 200.351 1.161 10 0 BDAEHO C[N@H+](CC1(N)CCCC1)[C@H]1CCSC1 ZINC000037479617 348617658 /nfs/dbraw/zinc/61/76/58/348617658.db2.gz DLLCTIYKCYSFBZ-JTQLQIEISA-N 1 3 214.378 1.695 10 0 BDAEHO C[N@@H+](CC1(N)CCCC1)[C@H]1CCSC1 ZINC000037479617 348617660 /nfs/dbraw/zinc/61/76/60/348617660.db2.gz DLLCTIYKCYSFBZ-JTQLQIEISA-N 1 3 214.378 1.695 10 0 BDAEHO CC1(C)CNCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000300846948 362929874 /nfs/dbraw/zinc/92/98/74/362929874.db2.gz NDLRDGOZXYOSFA-NXEZZACHSA-N 1 3 214.378 1.470 10 0 BDAEHO CC1(C)C[NH2+]CC[C@H]1N[C@@H]1CCSC1 ZINC000300846948 362929881 /nfs/dbraw/zinc/92/98/81/362929881.db2.gz NDLRDGOZXYOSFA-NXEZZACHSA-N 1 3 214.378 1.470 10 0 BDAEHO CC(C)(C)[N@@H+]1CCOCC[C@@H]1CCN ZINC000616597586 350652432 /nfs/dbraw/zinc/65/24/32/350652432.db2.gz CIXXLJLSHFWOLT-JTQLQIEISA-N 1 3 200.326 1.225 10 0 BDAEHO CC(C)(C)[N@H+]1CCOCC[C@@H]1CCN ZINC000616597586 350652434 /nfs/dbraw/zinc/65/24/34/350652434.db2.gz CIXXLJLSHFWOLT-JTQLQIEISA-N 1 3 200.326 1.225 10 0 BDAEHO CC(C)(C)N1CCOCC[C@@H]1CC[NH3+] ZINC000616597586 350652437 /nfs/dbraw/zinc/65/24/37/350652437.db2.gz CIXXLJLSHFWOLT-JTQLQIEISA-N 1 3 200.326 1.225 10 0 BDAEHO NCC[N@@H+]1CCC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616620429 350938542 /nfs/dbraw/zinc/93/85/42/350938542.db2.gz JLPGEOCLIZPBEP-OAHLLOKOSA-N 1 3 248.370 1.360 10 0 BDAEHO NCC[N@H+]1CCC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616620429 350938543 /nfs/dbraw/zinc/93/85/43/350938543.db2.gz JLPGEOCLIZPBEP-OAHLLOKOSA-N 1 3 248.370 1.360 10 0 BDAEHO C[C@H]1CCSCCN1C1CC([NH3+])C1 ZINC000306754707 350967075 /nfs/dbraw/zinc/96/70/75/350967075.db2.gz MWVVQIKDTDIVPR-IDKOKCKLSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@H]1CCSCC[N@@H+]1C1CC(N)C1 ZINC000306754707 350967077 /nfs/dbraw/zinc/96/70/77/350967077.db2.gz MWVVQIKDTDIVPR-IDKOKCKLSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@H]1CCSCC[N@H+]1C1CC(N)C1 ZINC000306754707 350967079 /nfs/dbraw/zinc/96/70/79/350967079.db2.gz MWVVQIKDTDIVPR-IDKOKCKLSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1C[N@@H+]([C@@H]2CCNC[C@H]2C)CCS1 ZINC000307030337 351431648 /nfs/dbraw/zinc/43/16/48/351431648.db2.gz DNLWGMRFGHDXHV-GMTAPVOTSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@@H]1C[N@H+]([C@@H]2CCNC[C@H]2C)CCS1 ZINC000307030337 351431653 /nfs/dbraw/zinc/43/16/53/351431653.db2.gz DNLWGMRFGHDXHV-GMTAPVOTSA-N 1 3 214.378 1.422 10 0 BDAEHO CC[NH2+][C@@H](C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000638071003 351943611 /nfs/dbraw/zinc/94/36/11/351943611.db2.gz DBWUHZDXXVOUDE-RYUDHWBXSA-N 1 3 243.395 1.077 10 0 BDAEHO C[C@@H]1CSCC[N@@H+]([C@H]2CC[C@H]2CN)C1 ZINC000307461981 352611009 /nfs/dbraw/zinc/61/10/09/352611009.db2.gz GAATWQHDLFUULT-DCAQKATOSA-N 1 3 214.378 1.409 10 0 BDAEHO C[C@@H]1CSCC[N@H+]([C@H]2CC[C@H]2CN)C1 ZINC000307461981 352611010 /nfs/dbraw/zinc/61/10/10/352611010.db2.gz GAATWQHDLFUULT-DCAQKATOSA-N 1 3 214.378 1.409 10 0 BDAEHO C[C@@H]1CSCCN([C@H]2CC[C@H]2C[NH3+])C1 ZINC000307461981 352611012 /nfs/dbraw/zinc/61/10/12/352611012.db2.gz GAATWQHDLFUULT-DCAQKATOSA-N 1 3 214.378 1.409 10 0 BDAEHO C[C@@H]1CCN(C2CC([NH3+])C2)CCS1 ZINC000307498327 352626048 /nfs/dbraw/zinc/62/60/48/352626048.db2.gz KEQKDBVEALGPLZ-XNWIYYODSA-N 1 3 200.351 1.304 10 0 BDAEHO COC(C)(C)[C@H](C)[N@@H+]1CCC[C@H](N)C1 ZINC000301029256 363344680 /nfs/dbraw/zinc/34/46/80/363344680.db2.gz UCSZHXHGPPJPCS-UWVGGRQHSA-N 1 3 200.326 1.223 10 0 BDAEHO COC(C)(C)[C@H](C)[N@H+]1CCC[C@H](N)C1 ZINC000301029256 363344686 /nfs/dbraw/zinc/34/46/86/363344686.db2.gz UCSZHXHGPPJPCS-UWVGGRQHSA-N 1 3 200.326 1.223 10 0 BDAEHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(N)C2)CS1 ZINC000405791919 355295500 /nfs/dbraw/zinc/29/55/00/355295500.db2.gz LIVXMBNHOHICAI-BBBLOLIVSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(N)C2)CS1 ZINC000405791919 355295501 /nfs/dbraw/zinc/29/55/01/355295501.db2.gz LIVXMBNHOHICAI-BBBLOLIVSA-N 1 3 200.351 1.304 10 0 BDAEHO [NH3+][C@@H]1C=C(CCC(F)(F)Cl)CNC1 ZINC000675078734 538515726 /nfs/dbraw/zinc/51/57/26/538515726.db2.gz RWUAZKAQDNVYKN-SSDOTTSWSA-N 1 3 210.655 1.455 10 0 BDAEHO [NH3+][C@@H]1C=C(CCc2ccsc2)CNC1 ZINC000675078726 538516773 /nfs/dbraw/zinc/51/67/73/538516773.db2.gz RTLCHZSKCPRGJG-LLVKDONJSA-N 1 3 208.330 1.538 10 0 BDAEHO CC(C)N(C)[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080492 538519338 /nfs/dbraw/zinc/51/93/38/538519338.db2.gz RVBNTZBVYFGHSR-MNOVXSKESA-N 1 3 212.337 1.223 10 0 BDAEHO COCC1(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000656200474 538784181 /nfs/dbraw/zinc/78/41/81/538784181.db2.gz NBIABZXUMDCAJO-NWDGAFQWSA-N 1 3 226.364 1.391 10 0 BDAEHO Cc1c[nH+]ccc1N1CCO[C@H](CN(C)C)C1 ZINC000192573569 357844480 /nfs/dbraw/zinc/84/44/80/357844480.db2.gz RHCIEXGUKMSNJA-GFCCVEGCSA-N 1 3 235.331 1.157 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCSC1)[C@H]1CCCNC1 ZINC000560943272 491130805 /nfs/dbraw/zinc/13/08/05/491130805.db2.gz JANAIXYJPGLAMA-GARJFASQSA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@H](N[C@@H]1CCSC1)[C@H]1CCC[NH2+]C1 ZINC000560943272 491130806 /nfs/dbraw/zinc/13/08/06/491130806.db2.gz JANAIXYJPGLAMA-GARJFASQSA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@H]([C@H](C)N)[N@@H+]1CCSC(C)(C)C1 ZINC000306312511 359593158 /nfs/dbraw/zinc/59/31/58/359593158.db2.gz KUOLXSMOGGCWLM-DTWKUNHWSA-N 1 3 202.367 1.550 10 0 BDAEHO C[C@H]([C@H](C)N)[N@H+]1CCSC(C)(C)C1 ZINC000306312511 359593166 /nfs/dbraw/zinc/59/31/66/359593166.db2.gz KUOLXSMOGGCWLM-DTWKUNHWSA-N 1 3 202.367 1.550 10 0 BDAEHO Cc1c(C[NH2+]C[C@H]2CCN(C3CC3)C2)cnn1C ZINC000093649996 360266175 /nfs/dbraw/zinc/26/61/75/360266175.db2.gz ZZYDMMPNEDRDPU-GFCCVEGCSA-N 1 3 248.374 1.302 10 0 BDAEHO CC[C@](C)([C@H](C)N)[N@@H+]1CCSC[C@@H]1C ZINC000306602762 360529187 /nfs/dbraw/zinc/52/91/87/360529187.db2.gz WJHPXLCMENZPCW-GARJFASQSA-N 1 3 216.394 1.940 10 0 BDAEHO CC[C@](C)([C@H](C)N)[N@H+]1CCSC[C@@H]1C ZINC000306602762 360529192 /nfs/dbraw/zinc/52/91/92/360529192.db2.gz WJHPXLCMENZPCW-GARJFASQSA-N 1 3 216.394 1.940 10 0 BDAEHO CCC[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)OCC ZINC000629515055 361112539 /nfs/dbraw/zinc/11/25/39/361112539.db2.gz PZZBKGYBMCVHCU-RWMBFGLXSA-N 1 3 228.380 1.779 10 0 BDAEHO CCC[C@H](C(=O)NCC[NH2+]C(C)(C)C)N(C)C ZINC000162911441 361186593 /nfs/dbraw/zinc/18/65/93/361186593.db2.gz KOWOCLCICRTTSI-LLVKDONJSA-N 1 3 243.395 1.221 10 0 BDAEHO FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCCNCC1 ZINC000622044062 370675772 /nfs/dbraw/zinc/67/57/72/370675772.db2.gz SZXRTCIOKAMTFO-VHSXEESVSA-N 1 3 218.291 1.763 10 0 BDAEHO NC1(C[NH2+]C[C@@H]2CCCCO2)CCCC1 ZINC000042825595 181331900 /nfs/dbraw/zinc/33/19/00/181331900.db2.gz HMCWIOKCRIHWNY-NSHDSACASA-N 1 3 212.337 1.417 10 0 BDAEHO NC1(C[NH2+]C[C@H]2CCCO2)CCCCC1 ZINC000040410416 181332688 /nfs/dbraw/zinc/33/26/88/181332688.db2.gz AXVVBNJQPZQYBH-LLVKDONJSA-N 1 3 212.337 1.417 10 0 BDAEHO [NH3+]C[C@@H]1CCC[C@@H]1NCC1=CCCOC1 ZINC000379735532 361574078 /nfs/dbraw/zinc/57/40/78/361574078.db2.gz JAVFMMGVTICWII-RYUDHWBXSA-N 1 3 210.321 1.050 10 0 BDAEHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379735532 361574084 /nfs/dbraw/zinc/57/40/84/361574084.db2.gz JAVFMMGVTICWII-RYUDHWBXSA-N 1 3 210.321 1.050 10 0 BDAEHO [NH3+]C1CCC(NCc2ccnc(Cl)n2)CC1 ZINC000095072138 181341498 /nfs/dbraw/zinc/34/14/98/181341498.db2.gz SSPBJOOBDAZPHR-UHFFFAOYSA-N 1 3 240.738 1.490 10 0 BDAEHO CCCCN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630354783 364077869 /nfs/dbraw/zinc/07/78/69/364077869.db2.gz AYCMXHCWESRCDL-WDEREUQCSA-N 1 3 200.326 1.225 10 0 BDAEHO CO[C@@H]1CN(C[C@@H]2C[C@H]2C)[C@@](C)(C[NH3+])C1 ZINC000630370336 364087111 /nfs/dbraw/zinc/08/71/11/364087111.db2.gz ZGPPRPCOVIKDLK-NOOOWODRSA-N 1 3 212.337 1.081 10 0 BDAEHO CO[C@@H]1CN(CCC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630369880 364087948 /nfs/dbraw/zinc/08/79/48/364087948.db2.gz XGHBHAXXZSOAJS-STQMWFEESA-N 1 3 226.364 1.615 10 0 BDAEHO NCC(C[NH3+])c1ccc(Cl)cc1Cl ZINC000039375620 181357822 /nfs/dbraw/zinc/35/78/22/181357822.db2.gz LWVJPQBZFMOHMX-UHFFFAOYSA-N 1 3 219.115 1.994 10 0 BDAEHO NCC1(C[N@@H+]2CCC[C@H](O)C2)CCCCC1 ZINC000051257057 181359163 /nfs/dbraw/zinc/35/91/63/181359163.db2.gz DRKDDOSNLIKJFE-LBPRGKRZSA-N 1 3 226.364 1.352 10 0 BDAEHO NCC1(C[N@H+]2CCC[C@H](O)C2)CCCCC1 ZINC000051257057 181359164 /nfs/dbraw/zinc/35/91/64/181359164.db2.gz DRKDDOSNLIKJFE-LBPRGKRZSA-N 1 3 226.364 1.352 10 0 BDAEHO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)[C@H](C)C2)C[C@@]1(C)CN ZINC000383348031 367615647 /nfs/dbraw/zinc/61/56/47/367615647.db2.gz NIGKOKIUQSWPQB-AAVRWANBSA-N 1 3 239.407 1.386 10 0 BDAEHO C[C@@H]1C[N@H+]([C@@H]2CCN(C)[C@H](C)C2)C[C@@]1(C)CN ZINC000383348031 367615652 /nfs/dbraw/zinc/61/56/52/367615652.db2.gz NIGKOKIUQSWPQB-AAVRWANBSA-N 1 3 239.407 1.386 10 0 BDAEHO CCN1CCC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566732240 326076953 /nfs/dbraw/zinc/07/69/53/326076953.db2.gz LIQXWTIHPMPEHH-MJBXVCDLSA-N 1 3 239.407 1.448 10 0 BDAEHO CC[NH+](CC)CCOC(=O)C1CCN(C)CC1 ZINC000003599657 368874773 /nfs/dbraw/zinc/87/47/73/368874773.db2.gz GHAWCAUSPWTQNX-UHFFFAOYSA-N 1 3 242.363 1.213 10 0 BDAEHO C[C@H]1CN(CCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000631839840 369185884 /nfs/dbraw/zinc/18/58/84/369185884.db2.gz LPPJVGODMSWIEA-KBPBESRZSA-N 1 3 248.370 1.982 10 0 BDAEHO C[C@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1CN ZINC000631839840 369185889 /nfs/dbraw/zinc/18/58/89/369185889.db2.gz LPPJVGODMSWIEA-KBPBESRZSA-N 1 3 248.370 1.982 10 0 BDAEHO C[C@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1CN ZINC000631839840 369185900 /nfs/dbraw/zinc/18/59/00/369185900.db2.gz LPPJVGODMSWIEA-KBPBESRZSA-N 1 3 248.370 1.982 10 0 BDAEHO COCC1(C[NH2+][C@H](C)[C@H]2CCCNC2)CCC1 ZINC000568974419 326384273 /nfs/dbraw/zinc/38/42/73/326384273.db2.gz QOPUXISGBUCZHX-OLZOCXBDSA-N 1 3 240.391 1.781 10 0 BDAEHO C[C@@H]1C[N@H+](C[Si](C)(C)C)CC[C@H]1N ZINC000401638611 371795701 /nfs/dbraw/zinc/79/57/01/371795701.db2.gz GODILJJHBWUOJY-NXEZZACHSA-N 1 3 200.402 1.533 10 0 BDAEHO C[C@@H]1C[N@@H+](C[Si](C)(C)C)CC[C@H]1N ZINC000401638611 371795714 /nfs/dbraw/zinc/79/57/14/371795714.db2.gz GODILJJHBWUOJY-NXEZZACHSA-N 1 3 200.402 1.533 10 0 BDAEHO OC[C@H]1CC[NH2+]CCN1CC1CCCCC1 ZINC000067172120 183153150 /nfs/dbraw/zinc/15/31/50/183153150.db2.gz PDJVYAUURLPKAT-CYBMUJFWSA-N 1 3 226.364 1.223 10 0 BDAEHO O[C@@H]1CCC[C@@H]1N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918192 183195461 /nfs/dbraw/zinc/19/54/61/183195461.db2.gz HPNCLUSDFDZWFN-XDQVBPFNSA-N 1 3 238.375 1.364 10 0 BDAEHO CCCN(CCO)C[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C ZINC000053873848 169165144 /nfs/dbraw/zinc/16/51/44/169165144.db2.gz LQPNSSLFIRNCOX-RDBSUJKOSA-N 1 3 242.407 1.715 10 0 BDAEHO CCCN([C@@H]1CCN(C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000071314990 169180809 /nfs/dbraw/zinc/18/08/09/169180809.db2.gz ZQWHQGUVLKDTEG-UONOGXRCSA-N 1 3 237.391 1.297 10 0 BDAEHO CCCN1CCN(Cc2ccccc2C[NH3+])CC1 ZINC000022171445 169202653 /nfs/dbraw/zinc/20/26/53/169202653.db2.gz QIQQUTIOVMSLID-UHFFFAOYSA-N 1 3 247.386 1.673 10 0 BDAEHO CCCN1CCN(C(CC)(CC)C[NH3+])CC1 ZINC000019485272 169202979 /nfs/dbraw/zinc/20/29/79/169202979.db2.gz RVYNFQKQMRAOJJ-UHFFFAOYSA-N 1 3 227.396 1.532 10 0 BDAEHO CCC[NH2+]CCNCCN1CCCCC1 ZINC000049474765 169259302 /nfs/dbraw/zinc/25/93/02/169259302.db2.gz NUGGEOUOYGUWQW-UHFFFAOYSA-N 1 3 213.369 1.062 10 0 BDAEHO CCC[NH2+]CC[C@@H](C)N1CCN(C)[C@H](CC)C1 ZINC000104126323 169260061 /nfs/dbraw/zinc/26/00/61/169260061.db2.gz OCFZTPMOBIBVQD-ZIAGYGMSSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+][C@H](C)[C@H](C)N1CCN(C)[C@H](CC)C1 ZINC000104142887 169286415 /nfs/dbraw/zinc/28/64/15/169286415.db2.gz FSBOHFJUKGUFGL-HZSPNIEDSA-N 1 3 241.423 1.789 10 0 BDAEHO CCC[NH2+]C[C@]1(CN2CCCC2)CCCOC1 ZINC000104318681 169264559 /nfs/dbraw/zinc/26/45/59/169264559.db2.gz KPRXFGBWJVIGAW-AWEZNQCLSA-N 1 3 240.391 1.879 10 0 BDAEHO c1ccc(CC[NH+]2CCCNCCC2)cc1 ZINC000049664787 183391699 /nfs/dbraw/zinc/39/16/99/183391699.db2.gz YWCHNDWYWGSZES-UHFFFAOYSA-N 1 3 218.344 1.915 10 0 BDAEHO c1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]23)nc1 ZINC000049567823 183394884 /nfs/dbraw/zinc/39/48/84/183394884.db2.gz TWPLDYSMDOECOQ-ZIAGYGMSSA-N 1 3 231.343 1.450 10 0 BDAEHO c1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]23)nc1 ZINC000049567823 183394886 /nfs/dbraw/zinc/39/48/86/183394886.db2.gz TWPLDYSMDOECOQ-ZIAGYGMSSA-N 1 3 231.343 1.450 10 0 BDAEHO CCC[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000037267468 169282016 /nfs/dbraw/zinc/28/20/16/169282016.db2.gz PIBACXHJKNZUQJ-GFCCVEGCSA-N 1 3 225.380 1.155 10 0 BDAEHO CCC[C@@H](C)N(C)[C@]1(C[NH3+])CCN(C2CC2)C1 ZINC000061990292 169366542 /nfs/dbraw/zinc/36/65/42/169366542.db2.gz IGHJHUWTPDLZRG-OCCSQVGLSA-N 1 3 239.407 1.672 10 0 BDAEHO COC[C@@H]1C[N@@H+](C2CCNCC2)CC1(C)C ZINC000409434785 383838789 /nfs/dbraw/zinc/83/87/89/383838789.db2.gz QOJFTTUACGZRKE-NSHDSACASA-N 1 3 226.364 1.343 10 0 BDAEHO COC[C@@H]1C[N@H+](C2CCNCC2)CC1(C)C ZINC000409434785 383838798 /nfs/dbraw/zinc/83/87/98/383838798.db2.gz QOJFTTUACGZRKE-NSHDSACASA-N 1 3 226.364 1.343 10 0 BDAEHO C[NH+](C)CCn1cccc1[C@@H](N)c1cccnc1 ZINC000011848787 384621597 /nfs/dbraw/zinc/62/15/97/384621597.db2.gz XBNULPZEUAQHDY-AWEZNQCLSA-N 1 3 244.342 1.493 10 0 BDAEHO CSC1(C[NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000564823507 384658066 /nfs/dbraw/zinc/65/80/66/384658066.db2.gz ABXQVZZDHRJJRT-GHMZBOCLSA-N 1 3 228.405 1.860 10 0 BDAEHO FC(F)OCCC[NH2+][C@@H]1CCCNCC1 ZINC000398244982 384862944 /nfs/dbraw/zinc/86/29/44/384862944.db2.gz CRBHNNKJMMJGRA-SECBINFHSA-N 1 3 222.279 1.347 10 0 BDAEHO N[C@H](CC[NH3+])c1cccc(Br)c1 ZINC000259402117 385424206 /nfs/dbraw/zinc/42/42/06/385424206.db2.gz OCQLEBLAYZMKHY-SECBINFHSA-N 1 3 229.121 1.798 10 0 BDAEHO C[C@@H]1C[C@H](NC2CC(F)(F)C2)CC[N@@H+]1C ZINC000309145451 385438486 /nfs/dbraw/zinc/43/84/86/385438486.db2.gz VCFSNICJBHDXQK-RKDXNWHRSA-N 1 3 218.291 1.856 10 0 BDAEHO C[C@@H]1C[C@H](NC2CC(F)(F)C2)CC[N@H+]1C ZINC000309145451 385438490 /nfs/dbraw/zinc/43/84/90/385438490.db2.gz VCFSNICJBHDXQK-RKDXNWHRSA-N 1 3 218.291 1.856 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)[C@@H]1CCCNC1 ZINC000647803748 385839292 /nfs/dbraw/zinc/83/92/92/385839292.db2.gz AMHLRWRHEPPBDX-IRCOFANPSA-N 1 3 228.405 1.858 10 0 BDAEHO CC(C)COCCC[NH2+]C1CCNCC1 ZINC000038040735 386119140 /nfs/dbraw/zinc/11/91/40/386119140.db2.gz PTDLWHCKVGETSP-UHFFFAOYSA-N 1 3 214.353 1.391 10 0 BDAEHO CC(C)COCCCNC1CC[NH2+]CC1 ZINC000038040735 386119148 /nfs/dbraw/zinc/11/91/48/386119148.db2.gz PTDLWHCKVGETSP-UHFFFAOYSA-N 1 3 214.353 1.391 10 0 BDAEHO CN(C[C@H](O)C(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336721314 386455143 /nfs/dbraw/zinc/45/51/43/386455143.db2.gz XRKZAEXRZSVLCL-OLZOCXBDSA-N 1 3 242.407 1.667 10 0 BDAEHO CN(C[C@H](O)C(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336721314 386455149 /nfs/dbraw/zinc/45/51/49/386455149.db2.gz XRKZAEXRZSVLCL-OLZOCXBDSA-N 1 3 242.407 1.667 10 0 BDAEHO Cc1cccc(CCNC[C@@H]2CCC[NH2+]C2)n1 ZINC000415108710 386586914 /nfs/dbraw/zinc/58/69/14/386586914.db2.gz QKMSJDSEFZQCIX-CYBMUJFWSA-N 1 3 233.359 1.522 10 0 BDAEHO C[C@@H]1C[C@H](N[C@@H]2CC[C@H]([NH3+])C2)CS1 ZINC000306895522 386533499 /nfs/dbraw/zinc/53/34/99/386533499.db2.gz MYAKUJJMFBMGIW-RGOKHQFPSA-N 1 3 200.351 1.350 10 0 BDAEHO COCC[C@H](COC)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000519767243 386552717 /nfs/dbraw/zinc/55/27/17/386552717.db2.gz YKIJJXBEVXQYLO-FRRDWIJNSA-N 1 3 244.379 1.016 10 0 BDAEHO COCC[C@H](COC)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000519767243 386552722 /nfs/dbraw/zinc/55/27/22/386552722.db2.gz YKIJJXBEVXQYLO-FRRDWIJNSA-N 1 3 244.379 1.016 10 0 BDAEHO COc1cccc(F)c1[C@H](N)CCCC[NH3+] ZINC000575438157 387105109 /nfs/dbraw/zinc/10/51/09/387105109.db2.gz DJMZHLVOBGAEFP-SNVBAGLBSA-N 1 3 226.295 1.963 10 0 BDAEHO C[C@@H]1C[C@@H](C2CC[NH2+]CC2)C[C@@H](O)N1C ZINC000536950649 387162147 /nfs/dbraw/zinc/16/21/47/387162147.db2.gz QNJMGHVWOFZSOG-YUSALJHKSA-N 1 3 212.337 1.035 10 0 BDAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCSC2)CCN1 ZINC000575513203 387385142 /nfs/dbraw/zinc/38/51/42/387385142.db2.gz BNEMMMBJEIODLS-OPRDCNLKSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@@H]1C[C@H](N[C@@H]2CCSC2)CC[NH2+]1 ZINC000575513203 387385147 /nfs/dbraw/zinc/38/51/47/387385147.db2.gz BNEMMMBJEIODLS-OPRDCNLKSA-N 1 3 200.351 1.222 10 0 BDAEHO C[C@H](N[C@H]1CCN(C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000643454658 387385692 /nfs/dbraw/zinc/38/56/92/387385692.db2.gz LDXCZWQCGPSSJG-AVGNSLFASA-N 1 3 237.391 1.201 10 0 BDAEHO C[C@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CCCNC1 ZINC000643471298 387480314 /nfs/dbraw/zinc/48/03/14/387480314.db2.gz OXVCXKPISVAEKL-RJZJGCCBSA-N 1 3 240.391 1.515 10 0 BDAEHO CC(C)CCOCC[NH2+]C1CCNCC1 ZINC000045094347 387704743 /nfs/dbraw/zinc/70/47/43/387704743.db2.gz VCESKJUOHKSBCR-UHFFFAOYSA-N 1 3 214.353 1.391 10 0 BDAEHO c1ccc(CCC[NH2+][C@@H]2CCCNCC2)nc1 ZINC000422996559 387802971 /nfs/dbraw/zinc/80/29/71/387802971.db2.gz MMSVQGBIKMEFRT-CQSZACIVSA-N 1 3 233.359 1.746 10 0 BDAEHO c1ccc(CCCN[C@@H]2CCC[NH2+]CC2)nc1 ZINC000422996559 387802975 /nfs/dbraw/zinc/80/29/75/387802975.db2.gz MMSVQGBIKMEFRT-CQSZACIVSA-N 1 3 233.359 1.746 10 0 BDAEHO C[C@H]([NH2+]CCCOCC1CC1)[C@@H]1CCCNC1 ZINC000643457828 387817416 /nfs/dbraw/zinc/81/74/16/387817416.db2.gz XIGDTEZCFZASLY-GXTWGEPZSA-N 1 3 240.391 1.781 10 0 BDAEHO C[C@H]([NH2+]CC1(CO)CCC1)[C@H]1CCCNC1 ZINC000643480621 387936566 /nfs/dbraw/zinc/93/65/66/387936566.db2.gz IBQXRAVOAAXYBA-RYUDHWBXSA-N 1 3 226.364 1.127 10 0 BDAEHO C[C@H](NCC1(CO)CCC1)[C@H]1CCC[NH2+]C1 ZINC000643480621 387936569 /nfs/dbraw/zinc/93/65/69/387936569.db2.gz IBQXRAVOAAXYBA-RYUDHWBXSA-N 1 3 226.364 1.127 10 0 BDAEHO Cc1cccnc1CCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000404961078 388447798 /nfs/dbraw/zinc/44/77/98/388447798.db2.gz VJINBZNOCLJREW-STQMWFEESA-N 1 3 233.359 1.520 10 0 BDAEHO C[C@H](NC1Cc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000335044255 388448503 /nfs/dbraw/zinc/44/85/03/388448503.db2.gz XWVIEFDYFGWSFZ-FZMZJTMJSA-N 1 3 230.355 1.741 10 0 BDAEHO CCC[C@@H](CN[C@H]1CCC[NH2+]CC1)OCC ZINC000530212329 388626373 /nfs/dbraw/zinc/62/63/73/388626373.db2.gz QGRYOFIJJHLIGE-STQMWFEESA-N 1 3 228.380 1.923 10 0 BDAEHO Cc1cccc(CCN[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000564714130 388886117 /nfs/dbraw/zinc/88/61/17/388886117.db2.gz VRPTVORUFPEGSU-UONOGXRCSA-N 1 3 247.386 1.910 10 0 BDAEHO C[C@@H](NCCN1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000400390048 533393715 /nfs/dbraw/zinc/39/37/15/533393715.db2.gz ZLBPLWQDNQZXDC-KGLIPLIRSA-N 1 3 239.407 1.306 10 0 BDAEHO Cc1cnc2ccc(N3CC[NH2+]CC3)cn12 ZINC000036221662 132340975 /nfs/dbraw/zinc/34/09/75/132340975.db2.gz JZMQCYVWGQUXBC-UHFFFAOYSA-N 1 3 216.288 1.052 10 0 BDAEHO COC[C@H](N[C@H]1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000222740065 134334247 /nfs/dbraw/zinc/33/42/47/134334247.db2.gz XQQDUAXWSZYASX-XQQFMLRXSA-N 1 3 228.380 1.730 10 0 BDAEHO CC[C@@H]1CC[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000226745157 134370908 /nfs/dbraw/zinc/37/09/08/134370908.db2.gz AEKKJFUNZDMRPU-CHWSQXEVSA-N 1 3 228.380 1.733 10 0 BDAEHO CCC1(C[NH2+]C[C@H]2CCCN2)CCOCC1 ZINC000261586693 135227466 /nfs/dbraw/zinc/22/74/66/135227466.db2.gz RITJPXQHRDTOOJ-GFCCVEGCSA-N 1 3 226.364 1.535 10 0 BDAEHO CC1(C)C[N@H+](CC[C@H]2CCCO2)CC[C@H]1N ZINC000261590928 135231112 /nfs/dbraw/zinc/23/11/12/135231112.db2.gz UVZHJOORZWTQGQ-VXGBXAGGSA-N 1 3 226.364 1.615 10 0 BDAEHO CC1(C)C[N@@H+](CC[C@H]2CCCO2)CC[C@H]1N ZINC000261590928 135231114 /nfs/dbraw/zinc/23/11/14/135231114.db2.gz UVZHJOORZWTQGQ-VXGBXAGGSA-N 1 3 226.364 1.615 10 0 BDAEHO CCCC1CCC(NC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000262117602 135279821 /nfs/dbraw/zinc/27/98/21/135279821.db2.gz LKJVEDCFAMJIJM-HHTDUIENSA-N 1 3 240.391 1.515 10 0 BDAEHO CCCC1CCC([NH2+]C[C@H]2CNC[C@@H]2O)CC1 ZINC000262117602 135279822 /nfs/dbraw/zinc/27/98/22/135279822.db2.gz LKJVEDCFAMJIJM-HHTDUIENSA-N 1 3 240.391 1.515 10 0 BDAEHO CCC1(C)CCC(NC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000262133928 135280175 /nfs/dbraw/zinc/28/01/75/135280175.db2.gz OJKYZMWDFBABTP-ZIHBUVQPSA-N 1 3 240.391 1.515 10 0 BDAEHO CCC1(C)CCC([NH2+]C[C@H]2CNC[C@@H]2O)CC1 ZINC000262133928 135280177 /nfs/dbraw/zinc/28/01/77/135280177.db2.gz OJKYZMWDFBABTP-ZIHBUVQPSA-N 1 3 240.391 1.515 10 0 BDAEHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CNC[C@H]2O)CC(C)(C)C1 ZINC000263312038 135345626 /nfs/dbraw/zinc/34/56/26/135345626.db2.gz YVMOPWRXFCUICC-FVCCEPFGSA-N 1 3 240.391 1.371 10 0 BDAEHO C[C@@H]1C[C@H](NC[C@H]2C[NH2+]C[C@H]2O)CC(C)(C)C1 ZINC000263312038 135345627 /nfs/dbraw/zinc/34/56/27/135345627.db2.gz YVMOPWRXFCUICC-FVCCEPFGSA-N 1 3 240.391 1.371 10 0 BDAEHO C[C@@H](O)[C@@H]1CCN(CCC[NH+]2CCCC2)C1 ZINC000166116668 136074344 /nfs/dbraw/zinc/07/43/44/136074344.db2.gz SETXOWGPMPTXDC-CHWSQXEVSA-N 1 3 226.364 1.175 10 0 BDAEHO CC(C)C[C@H](CN[C@H]1CCC[NH2+]CC1)N(C)C ZINC000128922057 398098120 /nfs/dbraw/zinc/09/81/20/398098120.db2.gz YKSBFQYETXTMBS-UONOGXRCSA-N 1 3 241.423 1.694 10 0 BDAEHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000262107152 487588875 /nfs/dbraw/zinc/58/88/75/487588875.db2.gz JSPXPFFKWPZHGA-VOAKCMCISA-N 1 3 240.391 1.371 10 0 BDAEHO CO[C@@H](CN(C)[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662266532 409567087 /nfs/dbraw/zinc/56/70/87/409567087.db2.gz IDGPJHNQIJZBLF-KBPBESRZSA-N 1 3 240.391 1.875 10 0 BDAEHO CC(C)C[NH2+]C[C@@H]1CCN(C2CCOCC2)C1 ZINC000053031280 167007208 /nfs/dbraw/zinc/00/72/08/167007208.db2.gz ABWHYHXEDWWIEG-ZDUSSCGKSA-N 1 3 240.391 1.733 10 0 BDAEHO CC(C)C[NH2+]C[C@H]1CC[C@@H](CN(C)C2CC2)O1 ZINC000052445587 167008173 /nfs/dbraw/zinc/00/81/73/167008173.db2.gz VEUPOYYPVVJXHX-KGLIPLIRSA-N 1 3 240.391 1.874 10 0 BDAEHO CC(C)[NH2+]C[C@H]1CCCCN1CCN(C)C ZINC000053651650 167115304 /nfs/dbraw/zinc/11/53/04/167115304.db2.gz VOYZJDSUQADLBO-CYBMUJFWSA-N 1 3 227.396 1.401 10 0 BDAEHO CC(C)OCC[N@@H+]1CCCNC(C)(C)C1 ZINC000062571852 167230892 /nfs/dbraw/zinc/23/08/92/167230892.db2.gz RNNUZZPYVJFDSF-UHFFFAOYSA-N 1 3 214.353 1.485 10 0 BDAEHO CC(C)OCC[N@H+]1CCCNC(C)(C)C1 ZINC000062571852 167230894 /nfs/dbraw/zinc/23/08/94/167230894.db2.gz RNNUZZPYVJFDSF-UHFFFAOYSA-N 1 3 214.353 1.485 10 0 BDAEHO CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000054243587 167394779 /nfs/dbraw/zinc/39/47/79/167394779.db2.gz JEECUTQFMMOFFM-UONOGXRCSA-N 1 3 241.423 1.504 10 0 BDAEHO CCN(CC)[C@@H]1CCN(C(=[NH2+])NC2CC2)C1 ZINC000062985206 169797083 /nfs/dbraw/zinc/79/70/83/169797083.db2.gz QNKYFLHMKHOJKD-LLVKDONJSA-N 1 3 224.352 1.089 10 0 BDAEHO C[C@H](Cc1ccccn1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000656193365 411200583 /nfs/dbraw/zinc/20/05/83/411200583.db2.gz IFMFKPZUFVINOQ-AGIUHOORSA-N 1 3 233.359 1.600 10 0 BDAEHO Cc1cnc(CCNC2CC[NH2+]CC2)c(C)c1 ZINC000656201406 411205730 /nfs/dbraw/zinc/20/57/30/411205730.db2.gz WXZQIJRXFRRAJX-UHFFFAOYSA-N 1 3 233.359 1.583 10 0 BDAEHO Cc1cnc(CC[NH2+]C2CCNCC2)c(C)c1 ZINC000656201406 411205733 /nfs/dbraw/zinc/20/57/33/411205733.db2.gz WXZQIJRXFRRAJX-UHFFFAOYSA-N 1 3 233.359 1.583 10 0 BDAEHO CCC(C)(C)NCC1C(=O)[O+]=NN1C(C)C ZINC000083250952 168299416 /nfs/dbraw/zinc/29/94/16/168299416.db2.gz YFIZPYLFQOJSKG-UHFFFAOYSA-O 1 3 228.316 1.527 10 0 BDAEHO CCN(C1CCN(CC)CC1)[C@@H]1CCC[NH2+]C1 ZINC000104351520 169953777 /nfs/dbraw/zinc/95/37/77/169953777.db2.gz CLCNPNHYSBODQQ-CQSZACIVSA-N 1 3 239.407 1.545 10 0 BDAEHO CCN1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC000052172165 170007714 /nfs/dbraw/zinc/00/77/14/170007714.db2.gz NLVKNCWMLUWKHA-ZDUSSCGKSA-N 1 3 226.364 1.344 10 0 BDAEHO CC[NH2+]CCC(=O)N(CCN(C)C)CC(C)C ZINC000061296577 170111931 /nfs/dbraw/zinc/11/19/31/170111931.db2.gz MVQOKASGPOIFQS-UHFFFAOYSA-N 1 3 243.395 1.032 10 0 BDAEHO CC[NH2+]C[C@@H]1CC[C@@H](CN(CC)CCOC)O1 ZINC000052542779 170120454 /nfs/dbraw/zinc/12/04/54/170120454.db2.gz RVTOYABDGNKDME-STQMWFEESA-N 1 3 244.379 1.112 10 0 BDAEHO CC[NH2+]C[C@H]1CCN([C@@H]2CCCN(C)C2)C1 ZINC000053031551 170122494 /nfs/dbraw/zinc/12/24/94/170122494.db2.gz YISYBFAIBZHMCQ-CHWSQXEVSA-N 1 3 225.380 1.012 10 0 BDAEHO CCNC[C@]1(C[N@H+](C)[C@@H](C)C2CC2)CCOC1 ZINC000051217588 170123252 /nfs/dbraw/zinc/12/32/52/170123252.db2.gz JULVUHRVYXVJPQ-JSGCOSHPSA-N 1 3 240.391 1.733 10 0 BDAEHO CCNC[C@]1(C[N@@H+](C)[C@@H](C)C2CC2)CCOC1 ZINC000051217588 170123253 /nfs/dbraw/zinc/12/32/53/170123253.db2.gz JULVUHRVYXVJPQ-JSGCOSHPSA-N 1 3 240.391 1.733 10 0 BDAEHO CC[NH2+]C[C@]1(CN(C)[C@@H](C)C2CC2)CCOC1 ZINC000051217588 170123254 /nfs/dbraw/zinc/12/32/54/170123254.db2.gz JULVUHRVYXVJPQ-JSGCOSHPSA-N 1 3 240.391 1.733 10 0 BDAEHO CC[NH2+]Cc1ccccc1OCCN(C)C ZINC000032024432 170129706 /nfs/dbraw/zinc/12/97/06/170129706.db2.gz LLOLQOINSZXZRJ-UHFFFAOYSA-N 1 3 222.332 1.737 10 0 BDAEHO CCNCc1coc(COCCC[NH+](C)C)c1 ZINC000052672539 170130878 /nfs/dbraw/zinc/13/08/78/170130878.db2.gz PYTCRRFOUDVZGK-UHFFFAOYSA-N 1 3 240.347 1.857 10 0 BDAEHO CC[NH2+][C@@H](CC)[C@@H](C)N1CCC[C@@H]1CN(C)C ZINC000061643569 170144282 /nfs/dbraw/zinc/14/42/82/170144282.db2.gz HBYCKMVNIFEMRE-MCIONIFRSA-N 1 3 241.423 1.789 10 0 BDAEHO CC[NH2+][C@H]1CCN(C2CCOCC2)C[C@@H]1C ZINC000049711410 170167319 /nfs/dbraw/zinc/16/73/19/170167319.db2.gz NMUVROYJCUSVBO-AAEUAGOBSA-N 1 3 226.364 1.485 10 0 BDAEHO CCOC(=O)[C@H](C)CNCCC[NH+]1CCCC1 ZINC000062072603 170264597 /nfs/dbraw/zinc/26/45/97/170264597.db2.gz RDYDYDCWQMUVIJ-GFCCVEGCSA-N 1 3 242.363 1.261 10 0 BDAEHO CCOC(=O)[C@H](C)C[NH2+]CCCN1CCCC1 ZINC000062072603 170264599 /nfs/dbraw/zinc/26/45/99/170264599.db2.gz RDYDYDCWQMUVIJ-GFCCVEGCSA-N 1 3 242.363 1.261 10 0 BDAEHO CCOC1CCN(C[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053870213 170332173 /nfs/dbraw/zinc/33/21/73/170332173.db2.gz WOAJRIPVUPNIKY-AAEUAGOBSA-N 1 3 226.364 1.615 10 0 BDAEHO CCOC1CC[NH+]([C@@H]2CCC[C@H]2N)CC1 ZINC000040689310 170332267 /nfs/dbraw/zinc/33/22/67/170332267.db2.gz VHXCRSYSYGZXKK-VXGBXAGGSA-N 1 3 212.337 1.367 10 0 BDAEHO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](N2CCN(C)CC2)C1 ZINC000037157142 171040290 /nfs/dbraw/zinc/04/02/90/171040290.db2.gz LXDFJEAQCBTDNI-HZSPNIEDSA-N 1 3 239.407 1.387 10 0 BDAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@H+](CCO)C2CC2)C1 ZINC000042478777 171056501 /nfs/dbraw/zinc/05/65/01/171056501.db2.gz UIMYNXJQLSBDAO-YRGRVCCFSA-N 1 3 240.391 1.597 10 0 BDAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@@H+](CCO)C2CC2)C1 ZINC000042478777 171056502 /nfs/dbraw/zinc/05/65/02/171056502.db2.gz UIMYNXJQLSBDAO-YRGRVCCFSA-N 1 3 240.391 1.597 10 0 BDAEHO CC[C@@H]1CC[C@H](C[NH3+])[C@H](N(CCO)C2CC2)C1 ZINC000042478777 171056504 /nfs/dbraw/zinc/05/65/04/171056504.db2.gz UIMYNXJQLSBDAO-YRGRVCCFSA-N 1 3 240.391 1.597 10 0 BDAEHO CC[C@@H]1CN[C@H](C)C[N@@H+]1C1CCN(C)CC1 ZINC000083085361 171101927 /nfs/dbraw/zinc/10/19/27/171101927.db2.gz HUVHACPWBIVYNN-VXGBXAGGSA-N 1 3 225.380 1.153 10 0 BDAEHO CC[C@@H]1CN[C@H](C)C[N@H+]1C1CCN(C)CC1 ZINC000083085361 171101928 /nfs/dbraw/zinc/10/19/28/171101928.db2.gz HUVHACPWBIVYNN-VXGBXAGGSA-N 1 3 225.380 1.153 10 0 BDAEHO CC[C@H](C)N1CCN([C@](C)(C[NH3+])C(C)C)CC1 ZINC000055064417 171318443 /nfs/dbraw/zinc/31/84/43/171318443.db2.gz CCEROQSTMPCBHA-UONOGXRCSA-N 1 3 241.423 1.776 10 0 BDAEHO CC[C@H](C)[NH2+]C[C@@H](C)N1CCN(C)C(C)(C)C1 ZINC000104140314 171341366 /nfs/dbraw/zinc/34/13/66/171341366.db2.gz ARMKHAYPRNYPTO-QWHCGFSZSA-N 1 3 241.423 1.789 10 0 BDAEHO CC[C@H](C)[C@@H](CN[C@H]1CCC[NH2+]CC1)OC ZINC000362975360 171369599 /nfs/dbraw/zinc/36/95/99/171369599.db2.gz FCYDMKDRLFAJPW-RWMBFGLXSA-N 1 3 228.380 1.779 10 0 BDAEHO C[C@H](N[C@@H]1CCN(C(C)(C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000665236914 412176329 /nfs/dbraw/zinc/17/63/29/412176329.db2.gz WHVFBWJWBNQOHF-YNEHKIRRSA-N 1 3 239.407 1.447 10 0 BDAEHO FC1(F)C[C@H]1OCCN[C@@H]1CCC[NH2+]CC1 ZINC000665244893 412189801 /nfs/dbraw/zinc/18/98/01/412189801.db2.gz ZAIKLHWKZQWXDD-NXEZZACHSA-N 1 3 234.290 1.142 10 0 BDAEHO C[C@H](NC[C@]1(C)CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000665267147 412210798 /nfs/dbraw/zinc/21/07/98/412210798.db2.gz QMVZDJWJQWLPEC-AEJSXWLSSA-N 1 3 218.291 1.619 10 0 BDAEHO C[NH+]1CCC(Oc2ccnc(CN)c2)CC1 ZINC000051522049 173000734 /nfs/dbraw/zinc/00/07/34/173000734.db2.gz SCMLNGUERSXTLS-UHFFFAOYSA-N 1 3 221.304 1.013 10 0 BDAEHO CN1CCC[N@@H+](C2(CN)CCCCCC2)CC1 ZINC000020217731 173015132 /nfs/dbraw/zinc/01/51/32/173015132.db2.gz VYYBTABYHLUSDX-UHFFFAOYSA-N 1 3 239.407 1.676 10 0 BDAEHO CN1CCC[N@H+](C2(CN)CCCCCC2)CC1 ZINC000020217731 173015133 /nfs/dbraw/zinc/01/51/33/173015133.db2.gz VYYBTABYHLUSDX-UHFFFAOYSA-N 1 3 239.407 1.676 10 0 BDAEHO CN1CCC[C@H](C[NH2+]C[C@@H]2CCCCN2C)C1 ZINC000054243710 173041945 /nfs/dbraw/zinc/04/19/45/173041945.db2.gz CGKWHDWBMNGGMF-KGLIPLIRSA-N 1 3 239.407 1.402 10 0 BDAEHO CN(c1ccnc(CN)c1)[C@H]1CCC[N@H+](C)C1 ZINC000053249212 173044640 /nfs/dbraw/zinc/04/46/40/173044640.db2.gz DDQDCYBPOLCTDQ-ZDUSSCGKSA-N 1 3 234.347 1.071 10 0 BDAEHO CN(c1ccnc(CN)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000053249212 173044641 /nfs/dbraw/zinc/04/46/41/173044641.db2.gz DDQDCYBPOLCTDQ-ZDUSSCGKSA-N 1 3 234.347 1.071 10 0 BDAEHO CN1CCN(C[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000053861671 173085196 /nfs/dbraw/zinc/08/51/96/173085196.db2.gz ULIGJCBISDVBBF-CHWSQXEVSA-N 1 3 225.380 1.141 10 0 BDAEHO CN1CC[C@@](C[NH3+])(N2CCC(C)(C)CC2)C1 ZINC000061990820 173136757 /nfs/dbraw/zinc/13/67/57/173136757.db2.gz LJOVPSMUWABSLN-ZDUSSCGKSA-N 1 3 225.380 1.141 10 0 BDAEHO C[NH2+]CCC[C@H](C)N1CCN(CC(C)C)CC1 ZINC000055082909 173350393 /nfs/dbraw/zinc/35/03/93/173350393.db2.gz KUEDQGVGRSJYTO-AWEZNQCLSA-N 1 3 241.423 1.648 10 0 BDAEHO C[NH2+]C[C@@H]1CCCN([C@@H]2CCSC2)C1 ZINC000040591901 173368289 /nfs/dbraw/zinc/36/82/89/173368289.db2.gz GZRAJPODPKZBQG-WDEREUQCSA-N 1 3 214.378 1.423 10 0 BDAEHO CNC[C@@]1(C[N@@H+]2CCCC[C@@H]2C)CCOC1 ZINC000051208967 173373220 /nfs/dbraw/zinc/37/32/20/173373220.db2.gz LSXUNTDTXZYXOC-QWHCGFSZSA-N 1 3 226.364 1.487 10 0 BDAEHO CNC[C@@]1(C[N@H+]2CCCC[C@@H]2C)CCOC1 ZINC000051208967 173373221 /nfs/dbraw/zinc/37/32/21/173373221.db2.gz LSXUNTDTXZYXOC-QWHCGFSZSA-N 1 3 226.364 1.487 10 0 BDAEHO C[NH2+]C[C@@]1(CN2CCCC[C@@H]2C)CCOC1 ZINC000051208967 173373222 /nfs/dbraw/zinc/37/32/22/173373222.db2.gz LSXUNTDTXZYXOC-QWHCGFSZSA-N 1 3 226.364 1.487 10 0 BDAEHO C[NH2+]C[C@H](C)N1CCN(C(C)(C)C)CC1 ZINC000052571568 173376198 /nfs/dbraw/zinc/37/61/98/173376198.db2.gz YUMURYOXTSLYEQ-NSHDSACASA-N 1 3 213.369 1.010 10 0 BDAEHO C[NH2+]C[C@H]1CCCN([C@@H]2CCCSC2)C1 ZINC000061590670 173378446 /nfs/dbraw/zinc/37/84/46/173378446.db2.gz XGNXFVYCFJJRRS-VXGBXAGGSA-N 1 3 228.405 1.813 10 0 BDAEHO COc1cccc(C[C@](C)(C[NH3+])CN(C)C)c1 ZINC000011800571 175272189 /nfs/dbraw/zinc/27/21/89/175272189.db2.gz FJBMLUWUMXJXMW-CQSZACIVSA-N 1 3 236.359 1.764 10 0 BDAEHO COc1cccc(C[C@](C)(CN)C[NH+](C)C)c1 ZINC000011800571 175272191 /nfs/dbraw/zinc/27/21/91/175272191.db2.gz FJBMLUWUMXJXMW-CQSZACIVSA-N 1 3 236.359 1.764 10 0 BDAEHO C[C@@H]1CCC[N@H+](CCC[C@](C)(N)C(N)=O)CC1 ZINC000104353533 176098275 /nfs/dbraw/zinc/09/82/75/176098275.db2.gz UOQPDAZVHUOVOP-YPMHNXCESA-N 1 3 241.379 1.091 10 0 BDAEHO C[C@@H]1CCC[N@@H+](CCC[C@](C)(N)C(N)=O)CC1 ZINC000104353533 176098277 /nfs/dbraw/zinc/09/82/77/176098277.db2.gz UOQPDAZVHUOVOP-YPMHNXCESA-N 1 3 241.379 1.091 10 0 BDAEHO C[C@@H]1CCC[C@](CN)([N@@H+]2CCCN(C)CC2)C1 ZINC000020217715 176151635 /nfs/dbraw/zinc/15/16/35/176151635.db2.gz JZHFXBGRKQLENN-KGLIPLIRSA-N 1 3 239.407 1.532 10 0 BDAEHO C[C@@H]1CCC[C@](CN)([N@H+]2CCCN(C)CC2)C1 ZINC000020217715 176151636 /nfs/dbraw/zinc/15/16/36/176151636.db2.gz JZHFXBGRKQLENN-KGLIPLIRSA-N 1 3 239.407 1.532 10 0 BDAEHO C[C@@H]1CCN([C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000044390370 176180529 /nfs/dbraw/zinc/18/05/29/176180529.db2.gz KDNDZFXVDWMCML-CHWSQXEVSA-N 1 3 225.380 1.155 10 0 BDAEHO C[C@@H]1C[NH+]=C(NC[C@H]2CCCN(C)C2)S1 ZINC000044538318 176324326 /nfs/dbraw/zinc/32/43/26/176324326.db2.gz SRCNHYBCDYBNQM-NXEZZACHSA-N 1 3 227.377 1.409 10 0 BDAEHO C[C@H]1CCC[N@H+](CCC[C@](C)(N)C(N)=O)CC1 ZINC000104353537 177098712 /nfs/dbraw/zinc/09/87/12/177098712.db2.gz UOQPDAZVHUOVOP-AAEUAGOBSA-N 1 3 241.379 1.091 10 0 BDAEHO C[C@H]1CCC[N@@H+](CCC[C@](C)(N)C(N)=O)CC1 ZINC000104353537 177098714 /nfs/dbraw/zinc/09/87/14/177098714.db2.gz UOQPDAZVHUOVOP-AAEUAGOBSA-N 1 3 241.379 1.091 10 0 BDAEHO C[C@H]1CCC[C@@](CN)([N@@H+]2CCCN(C)CC2)C1 ZINC000020217714 177127970 /nfs/dbraw/zinc/12/79/70/177127970.db2.gz JZHFXBGRKQLENN-UONOGXRCSA-N 1 3 239.407 1.532 10 0 BDAEHO C[C@H]1CCC[C@@](CN)([N@H+]2CCCN(C)CC2)C1 ZINC000020217714 177127971 /nfs/dbraw/zinc/12/79/71/177127971.db2.gz JZHFXBGRKQLENN-UONOGXRCSA-N 1 3 239.407 1.532 10 0 BDAEHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000038006211 177370691 /nfs/dbraw/zinc/37/06/91/177370691.db2.gz GHCXEMQIRXBZSB-SCVCMEIPSA-N 1 3 222.336 1.228 10 0 BDAEHO CSC1(CN[C@H](C)[C@H]2CC[NH2+]C2)CCC1 ZINC000400345117 225029384 /nfs/dbraw/zinc/02/93/84/225029384.db2.gz IERKTNLRDVTPKM-MNOVXSKESA-N 1 3 228.405 1.860 10 0 BDAEHO COCC(C)(C)CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400354912 226341584 /nfs/dbraw/zinc/34/15/84/226341584.db2.gz LSUKSMXWXMJFCA-QWRGUYRKSA-N 1 3 214.353 1.247 10 0 BDAEHO CO[C@@H]1C[C@H](N[C@@H](C)[C@@H]2CC[NH2+]C2)C1(C)C ZINC000400386333 226342521 /nfs/dbraw/zinc/34/25/21/226342521.db2.gz LXNYCUNUFBQHBH-WHOHXGKFSA-N 1 3 226.364 1.388 10 0 BDAEHO CSC1(CN[C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400432171 226343436 /nfs/dbraw/zinc/34/34/36/226343436.db2.gz CCUYECKPFQLKSM-NXEZZACHSA-N 1 3 214.378 1.470 10 0 BDAEHO CN(CCc1ccnn1C)[C@H]1CCC[NH2+]CC1 ZINC000226468276 487753339 /nfs/dbraw/zinc/75/33/39/487753339.db2.gz LYXFCETYONKZQR-LBPRGKRZSA-N 1 3 236.363 1.037 10 0 BDAEHO CCCCOCCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400402367 528611065 /nfs/dbraw/zinc/61/10/65/528611065.db2.gz QPRSCIAOSCXQGS-VXGBXAGGSA-N 1 3 214.353 1.391 10 0 BDAEHO CC[C@H](O)CC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000566555654 323004858 /nfs/dbraw/zinc/00/48/58/323004858.db2.gz HHSTZZZSDOQOFC-SRVKXCTJSA-N 1 3 214.353 1.125 10 0 BDAEHO CC[C@H](O)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566555654 323004859 /nfs/dbraw/zinc/00/48/59/323004859.db2.gz HHSTZZZSDOQOFC-SRVKXCTJSA-N 1 3 214.353 1.125 10 0 BDAEHO C[C@@H]([NH2+]CC(C)(C)CCCO)[C@@H]1CCCNC1 ZINC000566091062 325992782 /nfs/dbraw/zinc/99/27/82/325992782.db2.gz YVNJCUPTJWSLPV-CHWSQXEVSA-N 1 3 242.407 1.763 10 0 BDAEHO C[C@@H]([NH2+]CCC1(O)CCC1)[C@@H]1CCCNC1 ZINC000567639300 326236118 /nfs/dbraw/zinc/23/61/18/326236118.db2.gz FIFJFHRFDORPAK-VXGBXAGGSA-N 1 3 226.364 1.269 10 0 BDAEHO C[C@@H](NCCC1(O)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000567639300 326236119 /nfs/dbraw/zinc/23/61/19/326236119.db2.gz FIFJFHRFDORPAK-VXGBXAGGSA-N 1 3 226.364 1.269 10 0 BDAEHO C[C@H]([NH2+]CCCC(C)(C)CO)[C@@H]1CCCNC1 ZINC000569211797 326394997 /nfs/dbraw/zinc/39/49/97/326394997.db2.gz KSKPETPYTMKKKX-QWHCGFSZSA-N 1 3 242.407 1.763 10 0 BDAEHO C[C@@H]([NH2+]CCCC(C)(C)CO)[C@H]1CCCNC1 ZINC000569211796 326395192 /nfs/dbraw/zinc/39/51/92/326395192.db2.gz KSKPETPYTMKKKX-OLZOCXBDSA-N 1 3 242.407 1.763 10 0 BDAEHO CCCN1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000389517726 488099793 /nfs/dbraw/zinc/09/97/93/488099793.db2.gz GICPTFAOQLQQNW-CHWSQXEVSA-N 1 3 225.380 1.202 10 0 BDAEHO C[C@H](NCC1(CO)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400359855 490282144 /nfs/dbraw/zinc/28/21/44/490282144.db2.gz PVGYCSGAKQCFFZ-QWHCGFSZSA-N 1 3 240.391 1.517 10 0 BDAEHO CC(C)CN1CCC2(CC1)[NH2+][C@@H](C)CCO2 ZINC000757143594 582523817 /nfs/dbraw/zinc/52/38/17/582523817.db2.gz DNVPWZTXUWLABH-LBPRGKRZSA-N 1 3 226.364 1.833 10 0 BDAEHO C[C@H](NCCOC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000400432969 533860756 /nfs/dbraw/zinc/86/07/56/533860756.db2.gz LSPAABRXRKLFRU-YUMQZZPRSA-N 1 3 226.242 1.110 10 0 BDAEHO C[C@H](NC[C@@]1(C)CCCO1)[C@@H]1CC[NH2+]C1 ZINC000400416651 533892878 /nfs/dbraw/zinc/89/28/78/533892878.db2.gz VOSKJJJCXOWMPU-QJPTWQEYSA-N 1 3 212.337 1.143 10 0 BDAEHO CNCc1cccnc1N1CCC([NH+](C)C)CC1 ZINC000051444746 536470384 /nfs/dbraw/zinc/47/03/84/536470384.db2.gz OTWXVPPZNJGUJV-UHFFFAOYSA-N 1 3 248.374 1.331 10 0 BDAEHO CC(C)CSCCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400466935 528227003 /nfs/dbraw/zinc/22/70/03/528227003.db2.gz WHORPRQFAJPTEH-VXGBXAGGSA-N 1 3 230.421 1.963 10 0 BDAEHO CCC[C@](C)(O)CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400427496 528485197 /nfs/dbraw/zinc/48/51/97/528485197.db2.gz ZCENNFSACSIILK-UTUOFQBUSA-N 1 3 214.353 1.125 10 0 BDAEHO CCCCOCCCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400744806 528586916 /nfs/dbraw/zinc/58/69/16/528586916.db2.gz UHBXUOCTKPMRER-QWHCGFSZSA-N 1 3 228.380 1.781 10 0 BDAEHO CC[C@@H](CC[NH3+])N1CCN(c2ccncc2)CC1 ZINC000037039547 535739876 /nfs/dbraw/zinc/73/98/76/535739876.db2.gz FCHQKSMTMPIEND-ZDUSSCGKSA-N 1 3 248.374 1.331 10 0 BDAEHO C[C@H]1C[NH2+]C[C@@]2(CCCN2CCN(C)C)C1 ZINC000757125097 582500185 /nfs/dbraw/zinc/50/01/85/582500185.db2.gz DDGRKOOKGLUBIR-CHWSQXEVSA-N 1 3 225.380 1.012 10 0 BDAEHO C[C@@H]1NCCC[C@@]12CCC[N@@H+]2CCCF ZINC000757130800 582504906 /nfs/dbraw/zinc/50/49/06/582504906.db2.gz OCKQSXDDTRLZSL-NWDGAFQWSA-N 1 3 214.328 1.953 10 0 BDAEHO C[C@@H]1NCCC[C@@]12CCC[N@H+]2CCCF ZINC000757130800 582504907 /nfs/dbraw/zinc/50/49/07/582504907.db2.gz OCKQSXDDTRLZSL-NWDGAFQWSA-N 1 3 214.328 1.953 10 0 BDAEHO COCC[C@H](C)[N@@H+]1CCCC12CCNCC2 ZINC000757134050 582510320 /nfs/dbraw/zinc/51/03/20/582510320.db2.gz VYVNRERYBGGMSD-LBPRGKRZSA-N 1 3 226.364 1.629 10 0 BDAEHO COCC[C@H](C)[N@H+]1CCCC12CCNCC2 ZINC000757134050 582510321 /nfs/dbraw/zinc/51/03/21/582510321.db2.gz VYVNRERYBGGMSD-LBPRGKRZSA-N 1 3 226.364 1.629 10 0 BDAEHO CCN1CCC2(CC1)[NH2+][C@@H](C)C[C@@H](C)O2 ZINC000757145027 582526647 /nfs/dbraw/zinc/52/66/47/582526647.db2.gz HOTMWNWISZHZAK-WDEREUQCSA-N 1 3 212.337 1.585 10 0 BDAEHO CCC[C@@H]1CC[NH2+]C2(CCN(CC)CC2)O1 ZINC000757151192 582535299 /nfs/dbraw/zinc/53/52/99/582535299.db2.gz QBNAPSAPLMGTRQ-GFCCVEGCSA-N 1 3 226.364 1.977 10 0 BDAEHO CCN1CCC2(CC1)[NH2+][C@@H](C)CC(C)(C)O2 ZINC000757152819 582537543 /nfs/dbraw/zinc/53/75/43/582537543.db2.gz UDLXHHWOLZTTQK-NSHDSACASA-N 1 3 226.364 1.975 10 0 BDAEHO C[C@@H]1C[C@H](C)[C@H](CN)[C@H](C2CCOCC2)[NH2+]1 ZINC000757209795 582559809 /nfs/dbraw/zinc/55/98/09/582559809.db2.gz GKLPKHSZCXIFDC-LFSVMHDDSA-N 1 3 226.364 1.374 10 0 BDAEHO C[C@@H]1CN2C(=N1)N=CC=C2[C@@H]1CCC[NH2+]C1 ZINC000235422106 582579702 /nfs/dbraw/zinc/57/97/02/582579702.db2.gz WMHSDAPIAFKQMB-NXEZZACHSA-N 1 3 218.304 1.014 10 0 BDAEHO NC[C@H]1C[NH2+]C[C@H](c2cccc3cc[nH]c32)C1 ZINC000757206970 586437366 /nfs/dbraw/zinc/43/73/66/586437366.db2.gz ATZIDYFCPBGXAZ-CMPLNLGQSA-N 1 3 229.327 1.820 10 0 BDAEHO [NH3+]C[C@H]1CNC[C@H](c2cccc3cc[nH]c32)C1 ZINC000757206970 586437368 /nfs/dbraw/zinc/43/73/68/586437368.db2.gz ATZIDYFCPBGXAZ-CMPLNLGQSA-N 1 3 229.327 1.820 10 0 BDAEHO [NH3+]C[C@@H]1CNC[C@@H](c2cccc(C=O)c2)C1 ZINC000757219970 586442285 /nfs/dbraw/zinc/44/22/85/586442285.db2.gz ZLXJTMVYHDJBKB-YPMHNXCESA-N 1 3 218.300 1.151 10 0 BDAEHO NC[C@@H]1C[NH2+]C[C@@H](c2cccc(C=O)c2)C1 ZINC000757219970 586442287 /nfs/dbraw/zinc/44/22/87/586442287.db2.gz ZLXJTMVYHDJBKB-YPMHNXCESA-N 1 3 218.300 1.151 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1CC[C@H](N)[C@@H](C)[NH2+]1 ZINC000757238634 586444128 /nfs/dbraw/zinc/44/41/28/586444128.db2.gz TUCMGAYHAHLQQB-ICCXJUOJSA-N 1 3 219.332 1.718 10 0 BDAEHO [NH3+][C@@H]1CC[C@@H]2CN(C[C@@H](O)c3ccccc3)C[C@@H]12 ZINC000311052924 636995081 /nfs/dbraw/zinc/99/50/81/636995081.db2.gz HAYKUDNVFPCCQY-KBUPBQIOSA-N 1 3 246.354 1.389 10 0 BDAEHO C[C@H]1COCCN1CCCCCCC[NH3+] ZINC000035776842 639920747 /nfs/dbraw/zinc/92/07/47/639920747.db2.gz MOFUCZUMTRDORF-LBPRGKRZSA-N 1 3 214.353 1.616 10 0 BDAEHO C[C@H](N)[C@H]1CCCC[N@@H+]1C[C@H]1CCCO1 ZINC000251645793 642882215 /nfs/dbraw/zinc/88/22/15/642882215.db2.gz SKQHSJQDLMYKCU-QJPTWQEYSA-N 1 3 212.337 1.367 10 0 BDAEHO C[C@H](N)[C@H]1CCCC[N@H+]1C[C@H]1CCCO1 ZINC000251645793 642882218 /nfs/dbraw/zinc/88/22/18/642882218.db2.gz SKQHSJQDLMYKCU-QJPTWQEYSA-N 1 3 212.337 1.367 10 0 BDAEHO CN(C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666810 643363817 /nfs/dbraw/zinc/36/38/17/643363817.db2.gz IRFPNBAPLVTDPV-NEPJUHHUSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@H]1CN1CCN2CCCC[C@H]2C1 ZINC000251913017 644830327 /nfs/dbraw/zinc/83/03/27/644830327.db2.gz XIMSNBVORXDHLI-RDBSUJKOSA-N 1 3 237.391 1.012 10 0 BDAEHO C1=CO[C@H](CN[C@@H]2CCC[NH2+]CC2)CC1 ZINC000380028101 712682975 /nfs/dbraw/zinc/68/29/75/712682975.db2.gz WRIOGXZMHXXOTF-NEPJUHHUSA-N 1 3 210.321 1.411 10 0 BDAEHO C[C@H]1CN(CCc2ccns2)C[C@H]1C[NH3+] ZINC000719873045 712824702 /nfs/dbraw/zinc/82/47/02/712824702.db2.gz ONUJMEFTHBMYNM-VHSXEESVSA-N 1 3 225.361 1.212 10 0 BDAEHO C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CC[C@H](C2CC2)O1 ZINC000722316862 711734931 /nfs/dbraw/zinc/73/49/31/711734931.db2.gz UXSXKJJUCIBWFP-MGPQQGTHSA-N 1 3 238.375 1.676 10 0 BDAEHO C[C@@H]1CN(C[C@@H]2CC(C)(C)OC2(C)C)C[C@@H]1[NH3+] ZINC000709695133 712216391 /nfs/dbraw/zinc/21/63/91/712216391.db2.gz BYHNRJXVVNKKOP-WOPDTQHZSA-N 1 3 240.391 1.859 10 0 BDAEHO CC1(C)CC[C@@H](CN[C@H]2CCC[NH2+]CC2)OC1 ZINC000711390898 712297208 /nfs/dbraw/zinc/29/72/08/712297208.db2.gz PGSBJAPKXVVFAR-STQMWFEESA-N 1 3 240.391 1.923 10 0 BDAEHO CCC1([NH3+])CCN([C@@H](C)[C@@H](C)OC)CC1 ZINC000714754868 712497917 /nfs/dbraw/zinc/49/79/17/712497917.db2.gz YQKRXZIPCMBCOX-WDEREUQCSA-N 1 3 214.353 1.613 10 0 BDAEHO C[C@@H]1CN(C[C@@H]2CC[C@H](C3CC3)O2)C[C@@H]1C[NH3+] ZINC000715391236 712522514 /nfs/dbraw/zinc/52/25/14/712522514.db2.gz DKCRZJWMJRFSFD-VZZFWQQMSA-N 1 3 238.375 1.471 10 0 BDAEHO C([NH2+][C@H]1CCNC1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000716047533 712548360 /nfs/dbraw/zinc/54/83/60/712548360.db2.gz WFDVCOSNAGEOKR-HSTDOPHLSA-N 1 3 226.389 1.612 10 0 BDAEHO CSC1CCC(C[NH2+][C@H]2CCNC2)CC1 ZINC000720470474 712845445 /nfs/dbraw/zinc/84/54/45/712845445.db2.gz KLVNHJGCTLVDRP-CXQJBGSLSA-N 1 3 228.405 1.860 10 0 BDAEHO N[C@@H]1CCC[C@]2(c3ccccc3)C[NH2+]C[C@@H]12 ZINC000685958390 538905837 /nfs/dbraw/zinc/90/58/37/538905837.db2.gz NTNVBKLXXXJSTC-BFHYXJOUSA-N 1 3 216.328 1.655 10 0 BDAEHO CCC(CC)(C[NH2+]C)CN1CCC(CO)CC1 ZINC000051205960 168325003 /nfs/dbraw/zinc/32/50/03/168325003.db2.gz KEBNTQMISBODNU-UHFFFAOYSA-N 1 3 242.407 1.717 10 0 BDAEHO CCC(CC)(CNC)C[NH+]1CCC(CO)CC1 ZINC000051205960 168325005 /nfs/dbraw/zinc/32/50/05/168325005.db2.gz KEBNTQMISBODNU-UHFFFAOYSA-N 1 3 242.407 1.717 10 0 BDAEHO Cc1cc(C[NH2+]C[C@H]2CCN(C)C2)c(C)n1C ZINC000052790275 178024497 /nfs/dbraw/zinc/02/44/97/178024497.db2.gz HAPBVKNWQSUSOD-CYBMUJFWSA-N 1 3 235.375 1.683 10 0 BDAEHO Cc1cc(CNC[C@H]2CC[N@H+](C)C2)c(C)n1C ZINC000052790275 178024500 /nfs/dbraw/zinc/02/45/00/178024500.db2.gz HAPBVKNWQSUSOD-CYBMUJFWSA-N 1 3 235.375 1.683 10 0 BDAEHO Cc1cc(CNC[C@H]2CC[N@@H+](C)C2)c(C)n1C ZINC000052790275 178024503 /nfs/dbraw/zinc/02/45/03/178024503.db2.gz HAPBVKNWQSUSOD-CYBMUJFWSA-N 1 3 235.375 1.683 10 0 BDAEHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H]1CCCNC1 ZINC000576458613 365601407 /nfs/dbraw/zinc/60/14/07/365601407.db2.gz SXFIXMMQSDXOHE-FDYHWXHSSA-N 1 3 226.364 1.268 10 0 BDAEHO C[C@@H](N[C@@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000576458613 365601416 /nfs/dbraw/zinc/60/14/16/365601416.db2.gz SXFIXMMQSDXOHE-FDYHWXHSSA-N 1 3 226.364 1.268 10 0 BDAEHO CCC(CC)[N@H+](CCO)[C@@H]1CCCC[C@@H]1CN ZINC000042499804 168374021 /nfs/dbraw/zinc/37/40/21/168374021.db2.gz JVFXVVFCPZUECI-TZMCWYRMSA-N 1 3 242.407 1.987 10 0 BDAEHO CCC(CC)[N@@H+](CCO)[C@@H]1CCCC[C@@H]1CN ZINC000042499804 168374023 /nfs/dbraw/zinc/37/40/23/168374023.db2.gz JVFXVVFCPZUECI-TZMCWYRMSA-N 1 3 242.407 1.987 10 0 BDAEHO N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000212727033 539027978 /nfs/dbraw/zinc/02/79/78/539027978.db2.gz DVYMZSUMQKZFGP-CMPLNLGQSA-N 1 3 204.273 1.201 10 0 BDAEHO Cc1ccc(C[NH2+]CCCNCCO)cc1 ZINC000013732650 342870959 /nfs/dbraw/zinc/87/09/59/342870959.db2.gz AFCSPVLZHNKIFM-UHFFFAOYSA-N 1 3 222.332 1.057 10 0 BDAEHO CC(C)C[C@@H](CO)N[C@@H]1CCC[NH2+]CC1 ZINC000168734814 136269846 /nfs/dbraw/zinc/26/98/46/136269846.db2.gz BLOOEDQOQZDKLB-NEPJUHHUSA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)C[C@@H](CO)[NH2+][C@@H]1CCCNCC1 ZINC000168734814 136269847 /nfs/dbraw/zinc/26/98/47/136269847.db2.gz BLOOEDQOQZDKLB-NEPJUHHUSA-N 1 3 214.353 1.125 10 0 BDAEHO [NH3+]Cc1ccc(OCCN2CCCC2)c(O)c1 ZINC000145917085 343275049 /nfs/dbraw/zinc/27/50/49/343275049.db2.gz ZJPZCLLTIJSWBP-UHFFFAOYSA-N 1 3 236.315 1.326 10 0 BDAEHO CC1(C)COC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000313015175 343732252 /nfs/dbraw/zinc/73/22/52/343732252.db2.gz FHUXZWYBJABPIE-GHMZBOCLSA-N 1 3 212.337 1.143 10 0 BDAEHO COC[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000218548042 343793192 /nfs/dbraw/zinc/79/31/92/343793192.db2.gz QMHOARZNADZMJB-NSHDSACASA-N 1 3 212.337 1.097 10 0 BDAEHO COC[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000218548042 343793193 /nfs/dbraw/zinc/79/31/93/343793193.db2.gz QMHOARZNADZMJB-NSHDSACASA-N 1 3 212.337 1.097 10 0 BDAEHO COC[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000218548042 343793194 /nfs/dbraw/zinc/79/31/94/343793194.db2.gz QMHOARZNADZMJB-NSHDSACASA-N 1 3 212.337 1.097 10 0 BDAEHO COC[C@]12CCC[C@H]1C[N@@H+](C1CCNCC1)C2 ZINC000409435035 343835798 /nfs/dbraw/zinc/83/57/98/343835798.db2.gz SBWLFHSGMLGBCY-GXTWGEPZSA-N 1 3 238.375 1.487 10 0 BDAEHO COC[C@]12CCC[C@H]1C[N@H+](C1CCNCC1)C2 ZINC000409435035 343835799 /nfs/dbraw/zinc/83/57/99/343835799.db2.gz SBWLFHSGMLGBCY-GXTWGEPZSA-N 1 3 238.375 1.487 10 0 BDAEHO C[C@@H]1SCC[C@H]1[N@@H+]1CC[C@@H](CN)C1 ZINC000235369120 343965123 /nfs/dbraw/zinc/96/51/23/343965123.db2.gz BESFMCGULWDRIF-LPEHRKFASA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1SCC[C@H]1[N@H+]1CC[C@@H](CN)C1 ZINC000235369120 343965124 /nfs/dbraw/zinc/96/51/24/343965124.db2.gz BESFMCGULWDRIF-LPEHRKFASA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H](CC[NH3+])N1CCSC(C)(C)C1 ZINC000135210403 343967541 /nfs/dbraw/zinc/96/75/41/343967541.db2.gz KYRKYRNSFBRGIA-VIFPVBQESA-N 1 3 202.367 1.551 10 0 BDAEHO N[C@@H]1CC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000220675930 344565799 /nfs/dbraw/zinc/56/57/99/344565799.db2.gz PYKJBTVBLRMNEU-KXUCPTDWSA-N 1 3 200.351 1.351 10 0 BDAEHO [NH3+][C@@H]1CC[C@H](N[C@@H]2CCCSC2)C1 ZINC000220675930 344565802 /nfs/dbraw/zinc/56/58/02/344565802.db2.gz PYKJBTVBLRMNEU-KXUCPTDWSA-N 1 3 200.351 1.351 10 0 BDAEHO N[C@@H]1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000220689240 344567181 /nfs/dbraw/zinc/56/71/81/344567181.db2.gz LCEKUMGOIZRVDC-PSASIEDQSA-N 1 3 200.351 1.351 10 0 BDAEHO CS[C@@H]1CC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000235070685 344761182 /nfs/dbraw/zinc/76/11/82/344761182.db2.gz JETIVIALQULFCH-GHMZBOCLSA-N 1 3 214.378 1.612 10 0 BDAEHO CS[C@@H]1CC[C@H]([NH2+]C2CCNCC2)C1 ZINC000235145484 344813442 /nfs/dbraw/zinc/81/34/42/344813442.db2.gz JETIVIALQULFCH-WDEREUQCSA-N 1 3 214.378 1.612 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[N@@H+]1CC[C@@H](CN)C1 ZINC000235302866 344879427 /nfs/dbraw/zinc/87/94/27/344879427.db2.gz BESFMCGULWDRIF-GUBZILKMSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1SCC[C@@H]1[N@H+]1CC[C@@H](CN)C1 ZINC000235302866 344879429 /nfs/dbraw/zinc/87/94/29/344879429.db2.gz BESFMCGULWDRIF-GUBZILKMSA-N 1 3 200.351 1.161 10 0 BDAEHO Cc1ccc(O)c(CN2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000634999597 345200072 /nfs/dbraw/zinc/20/00/72/345200072.db2.gz WUOATAXGOYUMJZ-ONGXEEELSA-N 1 3 235.331 1.122 10 0 BDAEHO CCC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000582073872 347175926 /nfs/dbraw/zinc/17/59/26/347175926.db2.gz SOWIOTJXZVIJHV-UPJWGTAASA-N 1 3 228.380 1.515 10 0 BDAEHO CCC[C@](C)(O)CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000582073872 347175930 /nfs/dbraw/zinc/17/59/30/347175930.db2.gz SOWIOTJXZVIJHV-UPJWGTAASA-N 1 3 228.380 1.515 10 0 BDAEHO Cc1ccccc1C[NH2+]CCCNCCO ZINC000013732710 179281079 /nfs/dbraw/zinc/28/10/79/179281079.db2.gz LYDUEJTXSHNVPK-UHFFFAOYSA-N 1 3 222.332 1.057 10 0 BDAEHO [NH3+][C@H]1CNCC[C@H]1c1ccc2c(c1)CCN2 ZINC000669381419 537995215 /nfs/dbraw/zinc/99/52/15/537995215.db2.gz JEVUKQHMHZRDPJ-RYUDHWBXSA-N 1 3 217.316 1.059 10 0 BDAEHO Cc1ccccc1[C@H]([NH3+])CCN(C)C[C@@H](C)O ZINC000054023283 179344073 /nfs/dbraw/zinc/34/40/73/179344073.db2.gz HOWLKHLXGZTFGM-TZMCWYRMSA-N 1 3 236.359 1.698 10 0 BDAEHO Cc1ccccc1[C@H](N)CC[N@@H+](C)C[C@@H](C)O ZINC000054023283 179344074 /nfs/dbraw/zinc/34/40/74/179344074.db2.gz HOWLKHLXGZTFGM-TZMCWYRMSA-N 1 3 236.359 1.698 10 0 BDAEHO Cc1ccccc1[C@H](N)CC[N@H+](C)C[C@@H](C)O ZINC000054023283 179344076 /nfs/dbraw/zinc/34/40/76/179344076.db2.gz HOWLKHLXGZTFGM-TZMCWYRMSA-N 1 3 236.359 1.698 10 0 BDAEHO c1ccc2c(c1)CN(C[C@@H]1CC[NH2+]C1)C=N2 ZINC000095080152 191054027 /nfs/dbraw/zinc/05/40/27/191054027.db2.gz SOQVVTPOUCKMDR-LLVKDONJSA-N 1 3 215.300 1.772 10 0 BDAEHO Cc1ncc(C[NH2+]C[C@@H]2CCN(C)C2)s1 ZINC000037797621 180152891 /nfs/dbraw/zinc/15/28/91/180152891.db2.gz HZMALAUCVPILNF-JTQLQIEISA-N 1 3 225.361 1.493 10 0 BDAEHO CC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N ZINC000251915297 362985650 /nfs/dbraw/zinc/98/56/50/362985650.db2.gz YAXQFMWHBFCHMM-CHWSQXEVSA-N 1 3 204.317 1.856 10 0 BDAEHO CC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N ZINC000251915297 362985660 /nfs/dbraw/zinc/98/56/60/362985660.db2.gz YAXQFMWHBFCHMM-CHWSQXEVSA-N 1 3 204.317 1.856 10 0 BDAEHO C[C@@H]1CC[N@@H+]([C@H]2CCSC2)C[C@H]1N ZINC000251597842 350899205 /nfs/dbraw/zinc/89/92/05/350899205.db2.gz GBAPNXRLFNLRTC-KXUCPTDWSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1CC[N@H+]([C@H]2CCSC2)C[C@H]1N ZINC000251597842 350899209 /nfs/dbraw/zinc/89/92/09/350899209.db2.gz GBAPNXRLFNLRTC-KXUCPTDWSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1CSCCN1[C@@H]1CC[C@H]1C[NH3+] ZINC000251847105 350904839 /nfs/dbraw/zinc/90/48/39/350904839.db2.gz RAJRFBCWWDRINF-KXUCPTDWSA-N 1 3 200.351 1.161 10 0 BDAEHO CN[C@@H](C)C[NH2+]CCOCc1ccccc1 ZINC000306744073 350932781 /nfs/dbraw/zinc/93/27/81/350932781.db2.gz IADCJAGVYSPASU-LBPRGKRZSA-N 1 3 222.332 1.401 10 0 BDAEHO C[C@@H](N)[C@@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000306972402 351395315 /nfs/dbraw/zinc/39/53/15/351395315.db2.gz VTZCRZLTVOZISO-UTINFBMNSA-N 1 3 202.367 1.548 10 0 BDAEHO C[C@@H](N)[C@@H](C)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000306972402 351395317 /nfs/dbraw/zinc/39/53/17/351395317.db2.gz VTZCRZLTVOZISO-UTINFBMNSA-N 1 3 202.367 1.548 10 0 BDAEHO C[C@@H]1CN(C2CSC2)C[C@@]1(C)C[NH3+] ZINC000307030467 351431732 /nfs/dbraw/zinc/43/17/32/351431732.db2.gz PNHLAICTZZPUTE-PSASIEDQSA-N 1 3 200.351 1.019 10 0 BDAEHO C[C@@H]1C[N@@H+](C2CSC2)C[C@@]1(C)CN ZINC000307030467 351431735 /nfs/dbraw/zinc/43/17/35/351431735.db2.gz PNHLAICTZZPUTE-PSASIEDQSA-N 1 3 200.351 1.019 10 0 BDAEHO C[C@@H]1C[N@H+](C2CSC2)C[C@@]1(C)CN ZINC000307030467 351431738 /nfs/dbraw/zinc/43/17/38/351431738.db2.gz PNHLAICTZZPUTE-PSASIEDQSA-N 1 3 200.351 1.019 10 0 BDAEHO N[C@@H](CC[NH3+])Cc1cc(F)c(F)cc1F ZINC000725270931 538102936 /nfs/dbraw/zinc/10/29/36/538102936.db2.gz VUCUXQJKMUZLFB-ZETCQYMHSA-N 1 3 218.222 1.323 10 0 BDAEHO C[C@@H]1CCCC[N@@H+]1C1(CN)CSC1 ZINC000307421572 352590683 /nfs/dbraw/zinc/59/06/83/352590683.db2.gz RQXXKADVONWPOS-SECBINFHSA-N 1 3 200.351 1.305 10 0 BDAEHO C[C@@H]1CCCC[N@H+]1C1(CN)CSC1 ZINC000307421572 352590684 /nfs/dbraw/zinc/59/06/84/352590684.db2.gz RQXXKADVONWPOS-SECBINFHSA-N 1 3 200.351 1.305 10 0 BDAEHO CCc1ccc(NC(=N)COC)cc1C[NH3+] ZINC000003828125 187756997 /nfs/dbraw/zinc/75/69/97/187756997.db2.gz PHGHRUBAXSPVRN-UHFFFAOYSA-N 1 3 221.304 1.743 10 0 BDAEHO C[C@@H]1COC[C@H](C)N1CC[C@@H]1CCC[NH2+]C1 ZINC000420303504 192208017 /nfs/dbraw/zinc/20/80/17/192208017.db2.gz NNZRWZVRPPWAGS-XQQFMLRXSA-N 1 3 226.364 1.485 10 0 BDAEHO C[C@@H]1[C@@H](C)CCCN1Cc1c(C[NH3+])cnn1C ZINC000675056008 538477312 /nfs/dbraw/zinc/47/73/12/538477312.db2.gz HTNHSNVMARDLHZ-WDEREUQCSA-N 1 3 236.363 1.499 10 0 BDAEHO CN(CC12CCC(CC1)[NH2+]2)C1CCN(C)CC1 ZINC000675056579 538478933 /nfs/dbraw/zinc/47/89/33/538478933.db2.gz STGRJCFOYNWHEF-UHFFFAOYSA-N 1 3 237.391 1.297 10 0 BDAEHO [NH3+][C@H]1C=C(CC[C@@H]2CCCCO2)CNC1 ZINC000675079126 538518272 /nfs/dbraw/zinc/51/82/72/538518272.db2.gz WQKRILCXZDSKIG-RYUDHWBXSA-N 1 3 210.321 1.193 10 0 BDAEHO CCN(CC)[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080232 538519539 /nfs/dbraw/zinc/51/95/39/538519539.db2.gz PMEHVAACLHMYFC-WDEREUQCSA-N 1 3 212.337 1.225 10 0 BDAEHO C[C@H]1C[C@H](C2=C[C@H]([NH3+])CNC2)C[C@@H](C)C1 ZINC000675077241 538512884 /nfs/dbraw/zinc/51/28/84/538512884.db2.gz BIKUCAGSYDWBIH-WGBDABJCSA-N 1 3 208.349 1.916 10 0 BDAEHO CC(C)[NH2+]CCN1CCCN(C2CC2)CC1 ZINC000193430423 357033273 /nfs/dbraw/zinc/03/32/73/357033273.db2.gz AMCQODRDNGDYCN-UHFFFAOYSA-N 1 3 225.380 1.155 10 0 BDAEHO C[C@H]1CN(C2CCSCC2)C[C@H]1[NH3+] ZINC000300048679 357176641 /nfs/dbraw/zinc/17/66/41/357176641.db2.gz LQBKOHAIGIWYFC-WCBMZHEXSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@@H]1CCSC1 ZINC000168830404 357246959 /nfs/dbraw/zinc/24/69/59/357246959.db2.gz SAYLLDLONJIPQJ-OPRDCNLKSA-N 1 3 200.351 1.304 10 0 BDAEHO N[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000038762072 358196070 /nfs/dbraw/zinc/19/60/70/358196070.db2.gz BFRCNVPFOVQZSH-ZDUSSCGKSA-N 1 3 204.317 2.000 10 0 BDAEHO N[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000038762072 358196072 /nfs/dbraw/zinc/19/60/72/358196072.db2.gz BFRCNVPFOVQZSH-ZDUSSCGKSA-N 1 3 204.317 2.000 10 0 BDAEHO c1cc(N2CCC[NH2+]CC2)ccc1C1=NOCC1 ZINC000584617278 358282051 /nfs/dbraw/zinc/28/20/51/358282051.db2.gz UDDLBKJGUOMPHM-UHFFFAOYSA-N 1 3 245.326 1.611 10 0 BDAEHO CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N)C2)C1 ZINC000300390111 358987957 /nfs/dbraw/zinc/98/79/57/358987957.db2.gz RDKWSXCYWIIKCR-XWLWVQCSSA-N 1 3 214.378 1.740 10 0 BDAEHO C[C@H]1[C@@H](C)N(CCC(F)F)CC[C@@H]1[NH3+] ZINC000306219530 359338319 /nfs/dbraw/zinc/33/83/19/359338319.db2.gz MXWGVILITJHOEH-YIZRAAEISA-N 1 3 206.280 1.699 10 0 BDAEHO C[C@@H]1CSC[C@H]1N1CCC[C@@H]1C[NH3+] ZINC000306257675 359472561 /nfs/dbraw/zinc/47/25/61/359472561.db2.gz QNAHTWXQHBWLFW-OPRDCNLKSA-N 1 3 200.351 1.161 10 0 BDAEHO CC[C@](C)([C@@H](C)N)[N@@H+]1CCSC[C@H]1C ZINC000306602763 360529001 /nfs/dbraw/zinc/52/90/01/360529001.db2.gz WJHPXLCMENZPCW-GMTAPVOTSA-N 1 3 216.394 1.940 10 0 BDAEHO CC[C@](C)([C@@H](C)N)[N@H+]1CCSC[C@H]1C ZINC000306602763 360529004 /nfs/dbraw/zinc/52/90/04/360529004.db2.gz WJHPXLCMENZPCW-GMTAPVOTSA-N 1 3 216.394 1.940 10 0 BDAEHO C[C@H]([NH2+]C[C@](C)(O)C1CC1)[C@@H]1CCCNC1 ZINC000578979058 366684727 /nfs/dbraw/zinc/68/47/27/366684727.db2.gz LHVCJIRJOAHCRI-LOWVWBTDSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](NC[C@](C)(O)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000578979058 366684729 /nfs/dbraw/zinc/68/47/29/366684729.db2.gz LHVCJIRJOAHCRI-LOWVWBTDSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@@H](CC(N)=[NH2+])N1C[C@@H](C)S[C@@H](C)C1 ZINC000069908675 361015406 /nfs/dbraw/zinc/01/54/06/361015406.db2.gz PDXBYYFCYKBNQP-XHNCKOQMSA-N 1 3 215.366 1.527 10 0 BDAEHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000579227548 366738685 /nfs/dbraw/zinc/73/86/85/366738685.db2.gz OXTRFMRFUNNBCV-CHWSQXEVSA-N 1 3 242.407 1.715 10 0 BDAEHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)C(C)(C)C)C1 ZINC000579227548 366738690 /nfs/dbraw/zinc/73/86/90/366738690.db2.gz OXTRFMRFUNNBCV-CHWSQXEVSA-N 1 3 242.407 1.715 10 0 BDAEHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)C(C)(C)C)C1 ZINC000579227548 366738694 /nfs/dbraw/zinc/73/86/94/366738694.db2.gz OXTRFMRFUNNBCV-CHWSQXEVSA-N 1 3 242.407 1.715 10 0 BDAEHO [NH3+]C1([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000004204192 181332013 /nfs/dbraw/zinc/33/20/13/181332013.db2.gz CVIWGPQILYTQHX-ZDUSSCGKSA-N 1 3 216.328 2.000 10 0 BDAEHO NCCC[N@H+](CCn1cccn1)C1CCCC1 ZINC000049313876 181380206 /nfs/dbraw/zinc/38/02/06/181380206.db2.gz CXSPMEFTTFGYBT-UHFFFAOYSA-N 1 3 236.363 1.477 10 0 BDAEHO NCCC[N@@H+](CCn1cccn1)C1CCCC1 ZINC000049313876 181380207 /nfs/dbraw/zinc/38/02/07/181380207.db2.gz CXSPMEFTTFGYBT-UHFFFAOYSA-N 1 3 236.363 1.477 10 0 BDAEHO [NH3+]CCCN(CCn1cccn1)C1CCCC1 ZINC000049313876 181380209 /nfs/dbraw/zinc/38/02/09/181380209.db2.gz CXSPMEFTTFGYBT-UHFFFAOYSA-N 1 3 236.363 1.477 10 0 BDAEHO CCC(CC)[C@H](O)CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000575850753 365383790 /nfs/dbraw/zinc/38/37/90/365383790.db2.gz XCXIWOOOAAINNI-KWCYVHTRSA-N 1 3 242.407 1.761 10 0 BDAEHO CCC(CC)[C@H](O)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000575850753 365383797 /nfs/dbraw/zinc/38/37/97/365383797.db2.gz XCXIWOOOAAINNI-KWCYVHTRSA-N 1 3 242.407 1.761 10 0 BDAEHO Cc1cnccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000384906618 367754972 /nfs/dbraw/zinc/75/49/72/367754972.db2.gz AOVONUGZGRHLFE-BFHYXJOUSA-N 1 3 231.343 1.559 10 0 BDAEHO C[C@@H]([NH3+])[C@@H](C)CN1CCCO[C@H](C)C1 ZINC000252842412 368163018 /nfs/dbraw/zinc/16/30/18/368163018.db2.gz COJAZENALVBDCJ-HBNTYKKESA-N 1 3 200.326 1.081 10 0 BDAEHO C[C@@H]1SCCN([C@@H]2CC[C@@H]([NH3+])C2)[C@H]1C ZINC000253069371 368444230 /nfs/dbraw/zinc/44/42/30/368444230.db2.gz LOMGLRAUQAZDOU-UKKRHICBSA-N 1 3 214.378 1.692 10 0 BDAEHO CCN1CCC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566732239 326076806 /nfs/dbraw/zinc/07/68/06/326076806.db2.gz LIQXWTIHPMPEHH-MCIONIFRSA-N 1 3 239.407 1.448 10 0 BDAEHO CC(C)[C@H](CO)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000567639902 326236628 /nfs/dbraw/zinc/23/66/28/326236628.db2.gz CVVCWVIMIKXAHU-UPJWGTAASA-N 1 3 228.380 1.229 10 0 BDAEHO Cc1cc(C)n(CCN2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631837066 372627414 /nfs/dbraw/zinc/62/74/14/372627414.db2.gz MJSHGBRMLQLKPE-GWCFXTLKSA-N 1 3 236.363 1.027 10 0 BDAEHO Cc1nccn1CCC[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631837794 372629438 /nfs/dbraw/zinc/62/94/38/372629438.db2.gz FMFIYEACABBTIO-YPMHNXCESA-N 1 3 236.363 1.108 10 0 BDAEHO Cc1nccn1CCC[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631837794 372629447 /nfs/dbraw/zinc/62/94/47/372629447.db2.gz FMFIYEACABBTIO-YPMHNXCESA-N 1 3 236.363 1.108 10 0 BDAEHO OCCC[C@@H]1CCCN1CCC[NH+]1CCCC1 ZINC000052762386 183063030 /nfs/dbraw/zinc/06/30/30/183063030.db2.gz NKJYLFXYMWPOEB-AWEZNQCLSA-N 1 3 240.391 1.709 10 0 BDAEHO O[C@@H]1CCCCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000062072614 183188591 /nfs/dbraw/zinc/18/85/91/183188591.db2.gz SIGRSFDPSFXMQV-ZIAGYGMSSA-N 1 3 240.391 1.756 10 0 BDAEHO O[C@H]1CCNC[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000096964631 183241279 /nfs/dbraw/zinc/24/12/79/183241279.db2.gz AIBVRLNMXJWLIX-GJZGRUSLSA-N 1 3 246.354 1.233 10 0 BDAEHO O[C@H]1CCNC[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000096964631 183241281 /nfs/dbraw/zinc/24/12/81/183241281.db2.gz AIBVRLNMXJWLIX-GJZGRUSLSA-N 1 3 246.354 1.233 10 0 BDAEHO CCCN1CCN(C[C@H]2CCC[C@@H]2[NH2+]C)CC1 ZINC000053860721 169202567 /nfs/dbraw/zinc/20/25/67/169202567.db2.gz IZPDYOCLQMCIQE-KGLIPLIRSA-N 1 3 239.407 1.402 10 0 BDAEHO CCCN1CCN(C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070578420 169202661 /nfs/dbraw/zinc/20/26/61/169202661.db2.gz TZVUIZKMZRKXEH-ZIAGYGMSSA-N 1 3 239.407 1.532 10 0 BDAEHO CCCN1CCN(C[C@](C)(CC)C[NH2+]C)CC1 ZINC000051207550 169203038 /nfs/dbraw/zinc/20/30/38/169203038.db2.gz OMTWOSZXUKCQAZ-CQSZACIVSA-N 1 3 241.423 1.650 10 0 BDAEHO CCCN1CCN([C@H](C[NH3+])c2ccncc2)CC1 ZINC000044419043 169204557 /nfs/dbraw/zinc/20/45/57/169204557.db2.gz JKQNHXCTWLHSFM-CQSZACIVSA-N 1 3 248.374 1.109 10 0 BDAEHO CCC[NH2+]C[C@@H]1CCN([C@@H]2CCCN(C)C2)C1 ZINC000053031552 169262418 /nfs/dbraw/zinc/26/24/18/169262418.db2.gz RWKNWISHXYYHHB-UONOGXRCSA-N 1 3 239.407 1.402 10 0 BDAEHO CCC[NH2+]C[C@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055074063 169263660 /nfs/dbraw/zinc/26/36/60/169263660.db2.gz KBLZTBMOBHIGDX-KBPBESRZSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+][C@@H](C)CN1CCN(C)[C@H](CC)C1 ZINC000082478000 169274953 /nfs/dbraw/zinc/27/49/53/169274953.db2.gz BUNBGMVQOCTYCO-QWHCGFSZSA-N 1 3 227.396 1.401 10 0 BDAEHO CCC[C@@H](C)CN1CCN(C[C@@H](C)C[NH3+])CC1 ZINC000051297750 169358461 /nfs/dbraw/zinc/35/84/61/169358461.db2.gz ZAGONGYSJKKFCE-KGLIPLIRSA-N 1 3 241.423 1.635 10 0 BDAEHO C[NH+](C)CCn1cccc1[C@@H](N)c1ccncc1 ZINC000011848789 384622065 /nfs/dbraw/zinc/62/20/65/384622065.db2.gz AWEQSZVYSOTVMW-AWEZNQCLSA-N 1 3 244.342 1.493 10 0 BDAEHO C[C@@H](NCCOC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000564824696 384682684 /nfs/dbraw/zinc/68/26/84/384682684.db2.gz PUGUPOBOHVZACN-CHWSQXEVSA-N 1 3 240.391 1.923 10 0 BDAEHO C[C@@H]([NH2+]CCOC1CCCC1)[C@@H]1CCCNC1 ZINC000564824696 384682690 /nfs/dbraw/zinc/68/26/90/384682690.db2.gz PUGUPOBOHVZACN-CHWSQXEVSA-N 1 3 240.391 1.923 10 0 BDAEHO C[C@@H](C[NH2+]CC(C)(C)O)CN1CCCC1 ZINC000062071256 384758891 /nfs/dbraw/zinc/75/88/91/384758891.db2.gz JLAMVHLTPXHIBV-NSHDSACASA-N 1 3 214.353 1.079 10 0 BDAEHO C[C@@H](CNCC(C)(C)O)C[NH+]1CCCC1 ZINC000062071256 384758897 /nfs/dbraw/zinc/75/88/97/384758897.db2.gz JLAMVHLTPXHIBV-NSHDSACASA-N 1 3 214.353 1.079 10 0 BDAEHO COC[C@H]([NH2+][C@@H]1CCC[C@H]1CN)C1CC1 ZINC000397254889 385415228 /nfs/dbraw/zinc/41/52/28/385415228.db2.gz QQLGEFZSLOLMNT-TUAOUCFPSA-N 1 3 212.337 1.128 10 0 BDAEHO CCN(CC)Cc1cccnc1N1CC[NH2+]CC1 ZINC000253577413 385683585 /nfs/dbraw/zinc/68/35/85/385683585.db2.gz XAWHXDQRLRFLNL-UHFFFAOYSA-N 1 3 248.374 1.333 10 0 BDAEHO c1[nH]nc([C@H]2CCC[NH2+]C2)c1CN1CCCC1 ZINC000216709883 385871361 /nfs/dbraw/zinc/87/13/61/385871361.db2.gz GRKOVEMOVFUWIV-NSHDSACASA-N 1 3 234.347 1.473 10 0 BDAEHO [NH3+][C@@H]1CC[C@@H]2CN(C[C@H]3CCCCO3)C[C@H]12 ZINC000309405457 386008319 /nfs/dbraw/zinc/00/83/19/386008319.db2.gz VWBOUHQPOBLXMQ-FVCCEPFGSA-N 1 3 224.348 1.225 10 0 BDAEHO CC1(C)SC[C@@H]1[NH2+]C1CCNCC1 ZINC000307165980 386009519 /nfs/dbraw/zinc/00/95/19/386009519.db2.gz NTXMRULNTZMFBG-VIFPVBQESA-N 1 3 200.351 1.222 10 0 BDAEHO CN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCSC1 ZINC000051889928 386576175 /nfs/dbraw/zinc/57/61/75/386576175.db2.gz WDEVTXFLMOBNIE-NXEZZACHSA-N 1 3 200.351 1.033 10 0 BDAEHO C[C@@H]1C[C@H](N[C@H]2CC[C@H]([NH3+])C2)CS1 ZINC000306895520 386533344 /nfs/dbraw/zinc/53/33/44/386533344.db2.gz MYAKUJJMFBMGIW-KATARQTJSA-N 1 3 200.351 1.350 10 0 BDAEHO COc1c(F)cccc1[C@H](N)CCC[NH3+] ZINC000575439928 387126511 /nfs/dbraw/zinc/12/65/11/387126511.db2.gz OPWKSSPSEQVQSP-SNVBAGLBSA-N 1 3 212.268 1.573 10 0 BDAEHO COc1ccc(F)cc1[C@H](N)CCCC[NH3+] ZINC000575440291 387127131 /nfs/dbraw/zinc/12/71/31/387127131.db2.gz ZSCMCBDGHKTTLS-LLVKDONJSA-N 1 3 226.295 1.963 10 0 BDAEHO COc1ccc(F)c([C@@H](N)CCC[NH3+])c1F ZINC000575438302 387128586 /nfs/dbraw/zinc/12/85/86/387128586.db2.gz ICCSWJNNPNUPNF-QMMMGPOBSA-N 1 3 230.258 1.712 10 0 BDAEHO C[C@@H]1CSC[C@@H]1[N@@H+]1CCC[C@@H](N)C1 ZINC000306445652 387163717 /nfs/dbraw/zinc/16/37/17/387163717.db2.gz QZGVGLCNNAOBLE-BBBLOLIVSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1CSC[C@@H]1[N@H+]1CCC[C@@H](N)C1 ZINC000306445652 387163723 /nfs/dbraw/zinc/16/37/23/387163723.db2.gz QZGVGLCNNAOBLE-BBBLOLIVSA-N 1 3 200.351 1.161 10 0 BDAEHO CC(C)(O)C(C)(C)C[NH2+][C@H]1CCCNCC1 ZINC000393671728 387165475 /nfs/dbraw/zinc/16/54/75/387165475.db2.gz KBLDMFAZTLBCMN-NSHDSACASA-N 1 3 228.380 1.515 10 0 BDAEHO CC(C)(O)C(C)(C)CN[C@H]1CCC[NH2+]CC1 ZINC000393671728 387165480 /nfs/dbraw/zinc/16/54/80/387165480.db2.gz KBLDMFAZTLBCMN-NSHDSACASA-N 1 3 228.380 1.515 10 0 BDAEHO C[C@@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000400578351 387136623 /nfs/dbraw/zinc/13/66/23/387136623.db2.gz PRVYCXAZVJTPIO-SDDRHHMPSA-N 1 3 225.380 1.057 10 0 BDAEHO C[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000400578353 387137246 /nfs/dbraw/zinc/13/72/46/387137246.db2.gz PRVYCXAZVJTPIO-WOPDTQHZSA-N 1 3 225.380 1.057 10 0 BDAEHO CC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000643472665 387485628 /nfs/dbraw/zinc/48/56/28/387485628.db2.gz TXNMMCAGAVSNQP-TUAOUCFPSA-N 1 3 214.353 1.125 10 0 BDAEHO CC[C@](C)(O)CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643472665 387485633 /nfs/dbraw/zinc/48/56/33/387485633.db2.gz TXNMMCAGAVSNQP-TUAOUCFPSA-N 1 3 214.353 1.125 10 0 BDAEHO CC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000643472664 387485836 /nfs/dbraw/zinc/48/58/36/387485836.db2.gz TXNMMCAGAVSNQP-SRVKXCTJSA-N 1 3 214.353 1.125 10 0 BDAEHO CC[C@](C)(O)CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643472664 387485843 /nfs/dbraw/zinc/48/58/43/387485843.db2.gz TXNMMCAGAVSNQP-SRVKXCTJSA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)(C)NCC[NH2+]C[C@H](O)C(C)(C)C ZINC000324640387 387489286 /nfs/dbraw/zinc/48/92/86/387489286.db2.gz XDDRJBMHMDPZBJ-JTQLQIEISA-N 1 3 216.369 1.371 10 0 BDAEHO Cc1cnn(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000123947798 387601108 /nfs/dbraw/zinc/60/11/08/387601108.db2.gz NSCJJIJRVKNILN-ZIAGYGMSSA-N 1 3 248.374 1.408 10 0 BDAEHO Cc1cnn(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000123947798 387601110 /nfs/dbraw/zinc/60/11/10/387601110.db2.gz NSCJJIJRVKNILN-ZIAGYGMSSA-N 1 3 248.374 1.408 10 0 BDAEHO CS[C@@H]1CC[C@H]1[N@@H+]1CCCNCC1 ZINC000575548362 387645073 /nfs/dbraw/zinc/64/50/73/387645073.db2.gz CXJVEWXICQFEPO-NXEZZACHSA-N 1 3 200.351 1.176 10 0 BDAEHO CS[C@@H]1CC[C@H]1[N@H+]1CCCNCC1 ZINC000575548362 387645078 /nfs/dbraw/zinc/64/50/78/387645078.db2.gz CXJVEWXICQFEPO-NXEZZACHSA-N 1 3 200.351 1.176 10 0 BDAEHO CS[C@H]1CC[C@@H]1[N@@H+]1CCCNCC1 ZINC000575548363 387645447 /nfs/dbraw/zinc/64/54/47/387645447.db2.gz CXJVEWXICQFEPO-UWVGGRQHSA-N 1 3 200.351 1.176 10 0 BDAEHO CS[C@H]1CC[C@@H]1[N@H+]1CCCNCC1 ZINC000575548363 387645451 /nfs/dbraw/zinc/64/54/51/387645451.db2.gz CXJVEWXICQFEPO-UWVGGRQHSA-N 1 3 200.351 1.176 10 0 BDAEHO C(C[NH2+][C@H]1CCNC1)C[C@H]1CCCCO1 ZINC000423035447 387850551 /nfs/dbraw/zinc/85/05/51/387850551.db2.gz JMQOXNJUHGTQBC-NWDGAFQWSA-N 1 3 212.337 1.287 10 0 BDAEHO C[C@@H]1CC(C[NH2+][C@@H]2CCC[C@H]2CN)C[C@@H](C)O1 ZINC000423108524 387893987 /nfs/dbraw/zinc/89/39/87/387893987.db2.gz TXIOGSBDYPXXRR-MHDGFBEUSA-N 1 3 240.391 1.907 10 0 BDAEHO C[C@@H]1CC(C[NH2+][C@H]2CCCNCC2)C[C@@H](C)O1 ZINC000423099732 387887409 /nfs/dbraw/zinc/88/74/09/387887409.db2.gz MJUWCPNVUQCREF-BZPMIXESSA-N 1 3 240.391 1.922 10 0 BDAEHO Cc1cc(C)c(CN)c(N(C)CC[NH+](C)C)n1 ZINC000104187810 177857034 /nfs/dbraw/zinc/85/70/34/177857034.db2.gz YSSCJXSMEOHNTO-UHFFFAOYSA-N 1 3 236.363 1.155 10 0 BDAEHO CC(C)OCCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643480775 387943177 /nfs/dbraw/zinc/94/31/77/387943177.db2.gz FFLQMZPUPRSJNR-VXGBXAGGSA-N 1 3 214.353 1.389 10 0 BDAEHO CC(C)OCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000643480775 387943181 /nfs/dbraw/zinc/94/31/81/387943181.db2.gz FFLQMZPUPRSJNR-VXGBXAGGSA-N 1 3 214.353 1.389 10 0 BDAEHO C[C@H](O)CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086501101 388103614 /nfs/dbraw/zinc/10/36/14/388103614.db2.gz QGTCGHSVMQFRPD-AVGNSLFASA-N 1 3 228.380 1.658 10 0 BDAEHO C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)CN(C)C ZINC000336720619 388469274 /nfs/dbraw/zinc/46/92/74/388469274.db2.gz SFPHKMCQZDSLDO-XQHKEYJVSA-N 1 3 240.391 1.587 10 0 BDAEHO C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]CC2)CS1 ZINC000307367267 388423832 /nfs/dbraw/zinc/42/38/32/388423832.db2.gz MTAAWOVLSLMSNZ-GMTAPVOTSA-N 1 3 214.378 1.612 10 0 BDAEHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNCC2)CS1 ZINC000307367267 388423838 /nfs/dbraw/zinc/42/38/38/388423838.db2.gz MTAAWOVLSLMSNZ-GMTAPVOTSA-N 1 3 214.378 1.612 10 0 BDAEHO C[C@H](c1cccnc1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841055 388605015 /nfs/dbraw/zinc/60/50/15/388605015.db2.gz XNCBJRYFVSRNOG-WZRBSPASSA-N 1 3 219.332 1.669 10 0 BDAEHO CO[C@H](CN[C@H]1CCC[NH2+]CC1)C(C)C ZINC000362976661 388563343 /nfs/dbraw/zinc/56/33/43/388563343.db2.gz LERHOPVIAWVKNY-NWDGAFQWSA-N 1 3 214.353 1.389 10 0 BDAEHO CCN1CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000019872692 132328566 /nfs/dbraw/zinc/32/85/66/132328566.db2.gz LGRFNPWZCGRCOB-GFCCVEGCSA-N 1 3 233.359 1.848 10 0 BDAEHO CC(C)CCOCCN[C@@H]1CCC[NH2+]CC1 ZINC000168743735 134247765 /nfs/dbraw/zinc/24/77/65/134247765.db2.gz ZWZMHTLNWLBBJT-CYBMUJFWSA-N 1 3 228.380 1.781 10 0 BDAEHO C[C@H]1CN2CCCC[C@H]2CN1CCC[NH+](C)C ZINC000252660685 135094223 /nfs/dbraw/zinc/09/42/23/135094223.db2.gz BYFDFENOWKMFSE-KBPBESRZSA-N 1 3 239.407 1.497 10 0 BDAEHO CC1(C)CN(C[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261535936 135170271 /nfs/dbraw/zinc/17/02/71/135170271.db2.gz PSYRUYYZQBUXTL-QWRGUYRKSA-N 1 3 212.337 1.082 10 0 BDAEHO CC1(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000261536819 135173149 /nfs/dbraw/zinc/17/31/49/135173149.db2.gz TUZZSACGNHGNGW-NEPJUHHUSA-N 1 3 208.349 1.718 10 0 BDAEHO CC1(C)CN(C[C@@H]2CCSC2)CC[C@H]1[NH3+] ZINC000261538301 135175553 /nfs/dbraw/zinc/17/55/53/135175553.db2.gz XRDOEZCHKGSVNU-WDEREUQCSA-N 1 3 228.405 1.799 10 0 BDAEHO CC1(C)CN(C[C@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000261581406 135222191 /nfs/dbraw/zinc/22/21/91/135222191.db2.gz NOKDPXUKKHIHEZ-NEPJUHHUSA-N 1 3 226.364 1.472 10 0 BDAEHO O[C@H]1C[NH2+]C[C@@H]1CNCC1CCCCCC1 ZINC000262069757 135276710 /nfs/dbraw/zinc/27/67/10/135276710.db2.gz BZLVTNNNLHSCIB-STQMWFEESA-N 1 3 226.364 1.127 10 0 BDAEHO O[C@H]1CNC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC000262069757 135276712 /nfs/dbraw/zinc/27/67/12/135276712.db2.gz BZLVTNNNLHSCIB-STQMWFEESA-N 1 3 226.364 1.127 10 0 BDAEHO CC1(C)CCC(NC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000262181446 135284530 /nfs/dbraw/zinc/28/45/30/135284530.db2.gz WVHWGTSEEHEPBB-PWSUYJOCSA-N 1 3 226.364 1.125 10 0 BDAEHO CC1(C)CCC([NH2+]C[C@H]2CNC[C@@H]2O)CC1 ZINC000262181446 135284531 /nfs/dbraw/zinc/28/45/31/135284531.db2.gz WVHWGTSEEHEPBB-PWSUYJOCSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](c1ccccc1)[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000263261331 135343877 /nfs/dbraw/zinc/34/38/77/135343877.db2.gz QXWUINBXPYMCDK-NZBPQXDJSA-N 1 3 248.370 1.349 10 0 BDAEHO Cc1ccccc1C[C@H](C)NC[C@H]1C[NH2+]C[C@H]1O ZINC000263310745 135346197 /nfs/dbraw/zinc/34/61/97/135346197.db2.gz YNZRJTLEUSCTDQ-NWANDNLSSA-N 1 3 248.370 1.096 10 0 BDAEHO CCN1CCN(Cc2ccccc2)C[C@@H]1CC[NH3+] ZINC000584627188 398080231 /nfs/dbraw/zinc/08/02/31/398080231.db2.gz OSLMDZNWBSEOON-HNNXBMFYSA-N 1 3 247.386 1.542 10 0 BDAEHO CC(C)C[C@@H](CN[C@H]1CCC[NH2+]CC1)N(C)C ZINC000128921835 398098205 /nfs/dbraw/zinc/09/82/05/398098205.db2.gz YKSBFQYETXTMBS-KBPBESRZSA-N 1 3 241.423 1.694 10 0 BDAEHO CC(C)C[NH2+]C[C@H]1CCN(C2CCOCC2)C1 ZINC000053031281 167007596 /nfs/dbraw/zinc/00/75/96/167007596.db2.gz ABWHYHXEDWWIEG-CYBMUJFWSA-N 1 3 240.391 1.733 10 0 BDAEHO CC(C)NC(=[NH2+])N1CC[C@H](N2CCCCC2)C1 ZINC000062985236 167035687 /nfs/dbraw/zinc/03/56/87/167035687.db2.gz FAEFVMJCHQCDAM-LBPRGKRZSA-N 1 3 238.379 1.479 10 0 BDAEHO CC(C)[NH2+]C[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000053031037 167115603 /nfs/dbraw/zinc/11/56/03/167115603.db2.gz ZQXRVKXVOOJHFB-CYBMUJFWSA-N 1 3 239.407 1.401 10 0 BDAEHO CC[C@@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000040809191 410893684 /nfs/dbraw/zinc/89/36/84/410893684.db2.gz UFVIRDAWUUETSN-CHWSQXEVSA-N 1 3 249.358 1.143 10 0 BDAEHO CC(C)[NH2+]C[C@@H]1CCCCN1CCN(C)C ZINC000053651648 167111866 /nfs/dbraw/zinc/11/18/66/167111866.db2.gz VOYZJDSUQADLBO-ZDUSSCGKSA-N 1 3 227.396 1.401 10 0 BDAEHO CCN(CC)CCc1noc(C[C@@H](C)[NH2+]C)n1 ZINC000104051342 169783880 /nfs/dbraw/zinc/78/38/80/169783880.db2.gz JAWCIFDUZRTZAN-SNVBAGLBSA-N 1 3 240.351 1.104 10 0 BDAEHO OCC1(C[NH2+][C@H]2CCCNCC2)CCCCC1 ZINC000129358436 411248210 /nfs/dbraw/zinc/24/82/10/411248210.db2.gz SEYVGWBPRCZZAE-ZDUSSCGKSA-N 1 3 240.391 1.661 10 0 BDAEHO OCC1(CN[C@H]2CCC[NH2+]CC2)CCCCC1 ZINC000129358436 411248212 /nfs/dbraw/zinc/24/82/12/411248212.db2.gz SEYVGWBPRCZZAE-ZDUSSCGKSA-N 1 3 240.391 1.661 10 0 BDAEHO CC1CCN(C[C@]2(C[NH3+])CCOC2)CC1 ZINC000051207827 168182805 /nfs/dbraw/zinc/18/28/05/168182805.db2.gz VOHYJLJHNNPRKT-GFCCVEGCSA-N 1 3 212.337 1.084 10 0 BDAEHO CC[NH2+]C[C@@H]1CCN([C@@H]2CCCN(C)C2)C1 ZINC000053031550 170120259 /nfs/dbraw/zinc/12/02/59/170120259.db2.gz YISYBFAIBZHMCQ-QWHCGFSZSA-N 1 3 225.380 1.012 10 0 BDAEHO CCNC[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598709 170121880 /nfs/dbraw/zinc/12/18/80/170121880.db2.gz SQUDYMVLLXOWPL-GJZGRUSLSA-N 1 3 248.370 1.446 10 0 BDAEHO CCNC[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598709 170121881 /nfs/dbraw/zinc/12/18/81/170121881.db2.gz SQUDYMVLLXOWPL-GJZGRUSLSA-N 1 3 248.370 1.446 10 0 BDAEHO CCNC[C@]1(C[N@H+](CC)CC(C)C)CCOC1 ZINC000051214904 170123608 /nfs/dbraw/zinc/12/36/08/170123608.db2.gz JUWUSUGYFLIKJA-AWEZNQCLSA-N 1 3 242.407 1.981 10 0 BDAEHO CCNC[C@]1(C[N@@H+](CC)CC(C)C)CCOC1 ZINC000051214904 170123609 /nfs/dbraw/zinc/12/36/09/170123609.db2.gz JUWUSUGYFLIKJA-AWEZNQCLSA-N 1 3 242.407 1.981 10 0 BDAEHO CC[NH2+]C[C@]1(CN(CC)CC(C)C)CCOC1 ZINC000051214904 170123611 /nfs/dbraw/zinc/12/36/11/170123611.db2.gz JUWUSUGYFLIKJA-AWEZNQCLSA-N 1 3 242.407 1.981 10 0 BDAEHO CC[NH2+][C@@H](C)Cc1csc(CCN(C)C)n1 ZINC000076811859 170139835 /nfs/dbraw/zinc/13/98/35/170139835.db2.gz DRAIBUFWEJYAEE-JTQLQIEISA-N 1 3 241.404 1.788 10 0 BDAEHO CC[NH2+][C@@H]1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000049710894 170151167 /nfs/dbraw/zinc/15/11/67/170151167.db2.gz RMCOILBLNHRYKD-CHWSQXEVSA-N 1 3 239.407 1.543 10 0 BDAEHO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN(CC)CCO ZINC000053869609 170153191 /nfs/dbraw/zinc/15/31/91/170153191.db2.gz RUKKHNHUGFUSGS-MGPQQGTHSA-N 1 3 242.407 1.715 10 0 BDAEHO CN1CCC(Oc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000041019235 173000237 /nfs/dbraw/zinc/00/02/37/173000237.db2.gz XFDOCNXOBHCIIC-UHFFFAOYSA-N 1 3 233.315 1.444 10 0 BDAEHO CN1CCC([C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000082719165 173000633 /nfs/dbraw/zinc/00/06/33/173000633.db2.gz LBBJUJQGSYQLHP-MRVPVSSYSA-N 1 3 210.243 1.465 10 0 BDAEHO CN1CCCN([C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000020260659 173016755 /nfs/dbraw/zinc/01/67/55/173016755.db2.gz WHHGOZYMEGSVDH-UONOGXRCSA-N 1 3 239.407 1.674 10 0 BDAEHO CN1CCC[N@@H+]([C@@H]2CCCCCC[C@@H]2N)CC1 ZINC000020260659 173016758 /nfs/dbraw/zinc/01/67/58/173016758.db2.gz WHHGOZYMEGSVDH-UONOGXRCSA-N 1 3 239.407 1.674 10 0 BDAEHO CN1CCC[N@H+]([C@@H]2CCCCCC[C@@H]2N)CC1 ZINC000020260659 173016761 /nfs/dbraw/zinc/01/67/61/173016761.db2.gz WHHGOZYMEGSVDH-UONOGXRCSA-N 1 3 239.407 1.674 10 0 BDAEHO CN1CCN(CCCCCCC[NH3+])CC1 ZINC000020071670 173078259 /nfs/dbraw/zinc/07/82/59/173078259.db2.gz UJTLIMYDCBMLIO-UHFFFAOYSA-N 1 3 213.369 1.143 10 0 BDAEHO CN1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000037484582 173114040 /nfs/dbraw/zinc/11/40/40/173114040.db2.gz NAKWAEXAEZIFHO-LBPRGKRZSA-N 1 3 222.307 1.867 10 0 BDAEHO CN1CC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000037484645 173118261 /nfs/dbraw/zinc/11/82/61/173118261.db2.gz ANVSYDBDWAVSLZ-LBPRGKRZSA-N 1 3 205.305 1.123 10 0 BDAEHO CN1CC[C@H](C[N@H+](C)[C@@H](CN)C2CCCC2)C1 ZINC000071188366 173142524 /nfs/dbraw/zinc/14/25/24/173142524.db2.gz FAKXZEFAZHFVII-JSGCOSHPSA-N 1 3 239.407 1.387 10 0 BDAEHO CN1CC[C@H](C[N@@H+](C)[C@@H](CN)C2CCCC2)C1 ZINC000071188366 173142525 /nfs/dbraw/zinc/14/25/25/173142525.db2.gz FAKXZEFAZHFVII-JSGCOSHPSA-N 1 3 239.407 1.387 10 0 BDAEHO C[NH2+]CC(C)(C)CN(C)CCN1CCCC1 ZINC000063053579 173336818 /nfs/dbraw/zinc/33/68/18/173336818.db2.gz MFSCLDFFZUFREX-UHFFFAOYSA-N 1 3 227.396 1.260 10 0 BDAEHO CNCC1(C[N@@H+]2CCC[C@H]2C)CCOCC1 ZINC000052180461 173337357 /nfs/dbraw/zinc/33/73/57/173337357.db2.gz XCCBMCOCWKGERK-GFCCVEGCSA-N 1 3 226.364 1.487 10 0 BDAEHO CNCC1(C[N@H+]2CCC[C@H]2C)CCOCC1 ZINC000052180461 173337359 /nfs/dbraw/zinc/33/73/59/173337359.db2.gz XCCBMCOCWKGERK-GFCCVEGCSA-N 1 3 226.364 1.487 10 0 BDAEHO C[NH2+]CC1(CN2CCC[C@H]2C)CCOCC1 ZINC000052180461 173337361 /nfs/dbraw/zinc/33/73/61/173337361.db2.gz XCCBMCOCWKGERK-GFCCVEGCSA-N 1 3 226.364 1.487 10 0 BDAEHO C[NH2+]CC1(CN2CCCCC2)CCOCC1 ZINC000052180901 173337394 /nfs/dbraw/zinc/33/73/94/173337394.db2.gz ZMTOJOOQTFCPTO-UHFFFAOYSA-N 1 3 226.364 1.489 10 0 BDAEHO C[NH2+]CC1(CN(C)C[C@H]2C[C@@H]2C)CCOCC1 ZINC000104426970 173337865 /nfs/dbraw/zinc/33/78/65/173337865.db2.gz VTQKSXHILCSAMH-QWHCGFSZSA-N 1 3 240.391 1.590 10 0 BDAEHO CNCC1(C[N@H+](C)C[C@H]2C[C@@H]2C)CCOCC1 ZINC000104426970 173337866 /nfs/dbraw/zinc/33/78/66/173337866.db2.gz VTQKSXHILCSAMH-QWHCGFSZSA-N 1 3 240.391 1.590 10 0 BDAEHO CNCC1(C[N@@H+](C)C[C@H]2C[C@@H]2C)CCOCC1 ZINC000104426970 173337868 /nfs/dbraw/zinc/33/78/68/173337868.db2.gz VTQKSXHILCSAMH-QWHCGFSZSA-N 1 3 240.391 1.590 10 0 BDAEHO C[NH2+]CCC[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000055082911 173349952 /nfs/dbraw/zinc/34/99/52/173349952.db2.gz KUEDQGVGRSJYTO-CQSZACIVSA-N 1 3 241.423 1.648 10 0 BDAEHO C[NH2+]C[C@@H]1Cc2ccccc2CN1CCN(C)C ZINC000051860108 173372637 /nfs/dbraw/zinc/37/26/37/173372637.db2.gz OZXXNWSIMCBQMT-HNNXBMFYSA-N 1 3 247.386 1.194 10 0 BDAEHO C[NH2+]C[C@H]1CCCN(CCCn2ccnc2)C1 ZINC000049328865 173379142 /nfs/dbraw/zinc/37/91/42/173379142.db2.gz QTMQGLHERVDOEL-CYBMUJFWSA-N 1 3 236.363 1.205 10 0 BDAEHO C[NH2+]C[C@H]1Cc2ccccc2CN1CCN(C)C ZINC000051860109 173383126 /nfs/dbraw/zinc/38/31/26/173383126.db2.gz OZXXNWSIMCBQMT-OAHLLOKOSA-N 1 3 247.386 1.194 10 0 BDAEHO CNCc1cc(OCC[C@@H]2CCC[N@@H+]2C)ccn1 ZINC000051549407 173387250 /nfs/dbraw/zinc/38/72/50/173387250.db2.gz JJVOVTDTUZNRPV-ZDUSSCGKSA-N 1 3 249.358 1.664 10 0 BDAEHO CNCc1cc(OCC[C@@H]2CCC[N@H+]2C)ccn1 ZINC000051549407 173387251 /nfs/dbraw/zinc/38/72/51/173387251.db2.gz JJVOVTDTUZNRPV-ZDUSSCGKSA-N 1 3 249.358 1.664 10 0 BDAEHO C[NH2+]Cc1ccc(OCCN(C)C)c(OC)c1 ZINC000019777054 173388990 /nfs/dbraw/zinc/38/89/90/173388990.db2.gz YEWGJARWKXHQSF-UHFFFAOYSA-N 1 3 238.331 1.355 10 0 BDAEHO CNCc1ccoc1CN1CC[C@H]([NH+](C)C)C1 ZINC000062971577 173391460 /nfs/dbraw/zinc/39/14/60/173391460.db2.gz ZLVHTANHCSLTNV-LBPRGKRZSA-N 1 3 237.347 1.135 10 0 BDAEHO COc1cccc(CN)c1OCCC[NH+](C)C ZINC000011887993 175257189 /nfs/dbraw/zinc/25/71/89/175257189.db2.gz ZMBZPZOQNZOFCT-UHFFFAOYSA-N 1 3 238.331 1.484 10 0 BDAEHO COc1cccc(C[C@H](CN)C[NH+]2CCCC2)c1 ZINC000011800178 175271335 /nfs/dbraw/zinc/27/13/35/175271335.db2.gz JXJQBAJAEURMJY-CQSZACIVSA-N 1 3 248.370 1.908 10 0 BDAEHO COc1cccc(C[C@H](C[NH3+])CN2CCCC2)c1 ZINC000011800178 175271337 /nfs/dbraw/zinc/27/13/37/175271337.db2.gz JXJQBAJAEURMJY-CQSZACIVSA-N 1 3 248.370 1.908 10 0 BDAEHO C[C@@H]1C[C@@H](C)C[NH+](C2(CN)CCN(C)CC2)C1 ZINC000019506685 176361066 /nfs/dbraw/zinc/36/10/66/176361066.db2.gz DTDOPTQJZFCQTQ-CHWSQXEVSA-N 1 3 239.407 1.387 10 0 BDAEHO C[C@H](CN1CCCC1)NC1=[NH+]C[C@@H](C)S1 ZINC000049185287 176664916 /nfs/dbraw/zinc/66/49/16/176664916.db2.gz ZUPXVEGPVKJFMM-NXEZZACHSA-N 1 3 227.377 1.552 10 0 BDAEHO C[C@H]1CCCC[N@@H+]1CCCNCCN(C)C ZINC000020047847 177074517 /nfs/dbraw/zinc/07/45/17/177074517.db2.gz WFZLNRHTTHZHNK-ZDUSSCGKSA-N 1 3 227.396 1.402 10 0 BDAEHO C[C@H]1CCCC[N@H+]1CCCNCCN(C)C ZINC000020047847 177074518 /nfs/dbraw/zinc/07/45/18/177074518.db2.gz WFZLNRHTTHZHNK-ZDUSSCGKSA-N 1 3 227.396 1.402 10 0 BDAEHO C[C@H]1CCCC[C@@]1(CN)[NH+]1CCN(C)CC1 ZINC000019435308 177085198 /nfs/dbraw/zinc/08/51/98/177085198.db2.gz FAZWFZCWQAGAJL-STQMWFEESA-N 1 3 225.380 1.141 10 0 BDAEHO C[C@H]1CCC[C@@](CO)(N2CCC[NH2+]CC2)C1 ZINC000038117166 177127434 /nfs/dbraw/zinc/12/74/34/177127434.db2.gz NDPXRTUBVKDYQV-QWHCGFSZSA-N 1 3 226.364 1.223 10 0 BDAEHO C[C@H]1CNCCC[N@@H+](C2CCOCC2)C1 ZINC000049666383 177281663 /nfs/dbraw/zinc/28/16/63/177281663.db2.gz LOLIJQXZFZVTTO-NSHDSACASA-N 1 3 212.337 1.097 10 0 BDAEHO C[C@H]1CNCCC[N@H+](C2CCOCC2)C1 ZINC000049666383 177281664 /nfs/dbraw/zinc/28/16/64/177281664.db2.gz LOLIJQXZFZVTTO-NSHDSACASA-N 1 3 212.337 1.097 10 0 BDAEHO C[C@H]1CSC(NC[C@H]2CCCN(C)C2)=[NH+]1 ZINC000044538332 177302919 /nfs/dbraw/zinc/30/29/19/177302919.db2.gz LHHKXIFFQPXGAT-VHSXEESVSA-N 1 3 227.377 1.409 10 0 BDAEHO C[C@H](NC[C@]1(C)CCCS1)[C@@H]1CC[NH2+]C1 ZINC000400339385 226341016 /nfs/dbraw/zinc/34/10/16/226341016.db2.gz GIGYJWNHSPQSET-TUAOUCFPSA-N 1 3 228.405 1.860 10 0 BDAEHO C[C@@H](NCC(C)(C)C(C)(C)O)[C@@H]1CC[NH2+]C1 ZINC000400393495 226342746 /nfs/dbraw/zinc/34/27/46/226342746.db2.gz JLGMDVFPDYOFMB-GHMZBOCLSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@H](NC[C@@H](O)CC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400560228 226346364 /nfs/dbraw/zinc/34/63/64/226346364.db2.gz HOZHGRVIBKGHKH-SRVKXCTJSA-N 1 3 228.380 1.371 10 0 BDAEHO CCN1CCC[C@@H]1CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400591210 529081897 /nfs/dbraw/zinc/08/18/97/529081897.db2.gz UJRHMRDPKHDCKR-FRRDWIJNSA-N 1 3 225.380 1.058 10 0 BDAEHO CN(C[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666770 487862567 /nfs/dbraw/zinc/86/25/67/487862567.db2.gz QRZPYRYCLKTNFE-OLZOCXBDSA-N 1 3 226.364 1.629 10 0 BDAEHO C[C@H](O)[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000570515671 323061561 /nfs/dbraw/zinc/06/15/61/323061561.db2.gz NROIECFBRJLLSK-RWMBFGLXSA-N 1 3 226.364 1.079 10 0 BDAEHO C[C@H](O)[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000570515671 323061562 /nfs/dbraw/zinc/06/15/62/323061562.db2.gz NROIECFBRJLLSK-RWMBFGLXSA-N 1 3 226.364 1.079 10 0 BDAEHO C[C@H](O)[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000570515671 323061563 /nfs/dbraw/zinc/06/15/63/323061563.db2.gz NROIECFBRJLLSK-RWMBFGLXSA-N 1 3 226.364 1.079 10 0 BDAEHO CCC(O)(CC)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000571312874 323141024 /nfs/dbraw/zinc/14/10/24/323141024.db2.gz IUXBFVPQJPMTHM-NWDGAFQWSA-N 1 3 228.380 1.515 10 0 BDAEHO CCC(O)(CC)CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571312874 323141025 /nfs/dbraw/zinc/14/10/25/323141025.db2.gz IUXBFVPQJPMTHM-NWDGAFQWSA-N 1 3 228.380 1.515 10 0 BDAEHO CCC[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000565769206 325953697 /nfs/dbraw/zinc/95/36/97/325953697.db2.gz QUPCGDVJTGLLLK-MJBXVCDLSA-N 1 3 242.407 1.763 10 0 BDAEHO CCC[C@H](N)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404887367 326102041 /nfs/dbraw/zinc/10/20/41/326102041.db2.gz NHQRKYLZTBNVRT-RYUDHWBXSA-N 1 3 241.379 1.057 10 0 BDAEHO C[C@@H]([NH2+]CCCn1cccn1)[C@H]1CCCNC1 ZINC000567603949 326226656 /nfs/dbraw/zinc/22/66/56/326226656.db2.gz DAFYOIOUQAEGPK-OLZOCXBDSA-N 1 3 236.363 1.251 10 0 BDAEHO C[C@H]([NH2+]CCC(C)(C)O)[C@H]1CCCNC1 ZINC000567647037 326237858 /nfs/dbraw/zinc/23/78/58/326237858.db2.gz NCTRAJOBPGBROM-QWRGUYRKSA-N 1 3 214.353 1.125 10 0 BDAEHO C[C@H](NCCC(C)(C)O)[C@H]1CCC[NH2+]C1 ZINC000567647037 326237862 /nfs/dbraw/zinc/23/78/62/326237862.db2.gz NCTRAJOBPGBROM-QWRGUYRKSA-N 1 3 214.353 1.125 10 0 BDAEHO CCCN1CC[C@H](N[C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400756223 487986282 /nfs/dbraw/zinc/98/62/82/487986282.db2.gz XAMYSXOPQAWTNH-XQQFMLRXSA-N 1 3 225.380 1.058 10 0 BDAEHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000084220321 488038556 /nfs/dbraw/zinc/03/85/56/488038556.db2.gz DEOZPXZMRLMUES-SRVKXCTJSA-N 1 3 212.337 1.273 10 0 BDAEHO Cc1cccc(CCN[C@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000415108324 488084023 /nfs/dbraw/zinc/08/40/23/488084023.db2.gz PWQZQVGFHDRREY-OLZOCXBDSA-N 1 3 233.359 1.520 10 0 BDAEHO NCc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000169816015 487508343 /nfs/dbraw/zinc/50/83/43/487508343.db2.gz VKTZGTKLUHEPGE-NSHDSACASA-N 1 3 233.315 1.083 10 0 BDAEHO CC(C)[C@@H](C)[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000304507659 487508807 /nfs/dbraw/zinc/50/88/07/487508807.db2.gz DBWWZNDKKOHXQP-OLZOCXBDSA-N 1 3 225.380 1.010 10 0 BDAEHO CC(C)[C@@H](C)[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000304507659 487508812 /nfs/dbraw/zinc/50/88/12/487508812.db2.gz DBWWZNDKKOHXQP-OLZOCXBDSA-N 1 3 225.380 1.010 10 0 BDAEHO CO[C@@H](CNC1CC[NH2+]CC1)C1CCCCC1 ZINC000665283057 490096382 /nfs/dbraw/zinc/09/63/82/490096382.db2.gz GQCNNPODBVWYPR-AWEZNQCLSA-N 1 3 240.391 1.923 10 0 BDAEHO CO[C@@H](C[NH2+]C1CCNCC1)C1CCCCC1 ZINC000665283057 490096385 /nfs/dbraw/zinc/09/63/85/490096385.db2.gz GQCNNPODBVWYPR-AWEZNQCLSA-N 1 3 240.391 1.923 10 0 BDAEHO C[C@@H](NC1CCC([NH3+])CC1)c1nccn1C ZINC000070008249 490194454 /nfs/dbraw/zinc/19/44/54/490194454.db2.gz TUYDACBJPIHZJQ-KPPDAEKUSA-N 1 3 222.336 1.341 10 0 BDAEHO C1CC[C@H]2[NH2+]C3(CCNCC3)OC[C@@H]2C1 ZINC000757138673 582518342 /nfs/dbraw/zinc/51/83/42/582518342.db2.gz CYVQUGFXWWUVOL-WDEREUQCSA-N 1 3 210.321 1.245 10 0 BDAEHO CCN1CCC2(CC1)[NH2+]C[C@H]1CCC[C@@H]1O2 ZINC000757138686 582518548 /nfs/dbraw/zinc/51/85/48/582518548.db2.gz DFDXIDWDRACKCA-NEPJUHHUSA-N 1 3 224.348 1.587 10 0 BDAEHO CC[C@]1(C)CCO[C@]2(CCC[N@H+](C)CC2)N1 ZINC000757146325 582529867 /nfs/dbraw/zinc/52/98/67/582529867.db2.gz KOOCTDPSEOUFND-OLZOCXBDSA-N 1 3 226.364 1.977 10 0 BDAEHO CC[C@]1(C)CCO[C@]2(CCC[N@@H+](C)CC2)N1 ZINC000757146325 582529869 /nfs/dbraw/zinc/52/98/69/582529869.db2.gz KOOCTDPSEOUFND-OLZOCXBDSA-N 1 3 226.364 1.977 10 0 BDAEHO CC[C@]1(C)CCO[C@]2(CCCN(C)CC2)[NH2+]1 ZINC000757146325 582529870 /nfs/dbraw/zinc/52/98/70/582529870.db2.gz KOOCTDPSEOUFND-OLZOCXBDSA-N 1 3 226.364 1.977 10 0 BDAEHO C[C@H](NCCOC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400515083 533859962 /nfs/dbraw/zinc/85/99/62/533859962.db2.gz KGTBDKLFZVKRSR-RYUDHWBXSA-N 1 3 226.364 1.533 10 0 BDAEHO C[C@H](NC[C@@H]1CCCCS1)[C@H]1CC[NH2+]C1 ZINC000400341726 533881253 /nfs/dbraw/zinc/88/12/53/533881253.db2.gz GWQIJGXDNHTFLF-SRVKXCTJSA-N 1 3 228.405 1.860 10 0 BDAEHO C[C@H](NC[C@H]1CC[C@@H](C)O1)[C@@H]1CC[NH2+]C1 ZINC000400422388 533908642 /nfs/dbraw/zinc/90/86/42/533908642.db2.gz XJIHDSXURSAFAA-WRWGMCAJSA-N 1 3 212.337 1.142 10 0 BDAEHO [NH3+]C[C@H]1CCNc2nc3c(n21)CCCC3 ZINC000236251806 582642943 /nfs/dbraw/zinc/64/29/43/582642943.db2.gz VJOPIZPEIQQXQW-MRVPVSSYSA-N 1 3 206.293 1.077 10 0 BDAEHO CC(C)CCOCCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400743778 527760144 /nfs/dbraw/zinc/76/01/44/527760144.db2.gz UENXTLCWNRQVFC-QWHCGFSZSA-N 1 3 228.380 1.637 10 0 BDAEHO COC[C@@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261527672 536524348 /nfs/dbraw/zinc/52/43/48/536524348.db2.gz FPYSCQJXVUOPEQ-ZJUUUORDSA-N 1 3 200.326 1.081 10 0 BDAEHO COC[C@@H](C)[N@@H+]1CC[C@H](N)C(C)(C)C1 ZINC000261527672 536524354 /nfs/dbraw/zinc/52/43/54/536524354.db2.gz FPYSCQJXVUOPEQ-ZJUUUORDSA-N 1 3 200.326 1.081 10 0 BDAEHO COC[C@@H](C)[N@H+]1CC[C@H](N)C(C)(C)C1 ZINC000261527672 536524358 /nfs/dbraw/zinc/52/43/58/536524358.db2.gz FPYSCQJXVUOPEQ-ZJUUUORDSA-N 1 3 200.326 1.081 10 0 BDAEHO CC(C)COCCCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400722221 528095584 /nfs/dbraw/zinc/09/55/84/528095584.db2.gz OUPTWPGEWCXLBH-CHWSQXEVSA-N 1 3 228.380 1.637 10 0 BDAEHO CCN(CCN[C@@H](C)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000400501621 528513406 /nfs/dbraw/zinc/51/34/06/528513406.db2.gz GWMPPTWFWQULMT-NWDGAFQWSA-N 1 3 225.380 1.058 10 0 BDAEHO CCCN1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000043567886 534932553 /nfs/dbraw/zinc/93/25/53/534932553.db2.gz YMCSSJFUJWBABW-UHFFFAOYSA-N 1 3 220.320 1.196 10 0 BDAEHO CO[C@H](C)[C@H](C)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000252730973 536878836 /nfs/dbraw/zinc/87/88/36/536878836.db2.gz NTHXGKWLTCSAOI-USZNOCQGSA-N 1 3 214.353 1.482 10 0 BDAEHO COC[C@H](C)[N@@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757132882 582508423 /nfs/dbraw/zinc/50/84/23/582508423.db2.gz SAJSDWULDDOACN-XQQFMLRXSA-N 1 3 226.364 1.628 10 0 BDAEHO COC[C@H](C)[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757132882 582508424 /nfs/dbraw/zinc/50/84/24/582508424.db2.gz SAJSDWULDDOACN-XQQFMLRXSA-N 1 3 226.364 1.628 10 0 BDAEHO CCN1CCC2(CC1)[NH2+]CC(C)(C)[C@H](C)O2 ZINC000757141320 582522151 /nfs/dbraw/zinc/52/21/51/582522151.db2.gz AAMKAQYKPYPBEO-NSHDSACASA-N 1 3 226.364 1.833 10 0 BDAEHO C1CC1[NH+]1CCC2(CC1)NC[C@@H]1CCC[C@H]1O2 ZINC000757143109 582522925 /nfs/dbraw/zinc/52/29/25/582522925.db2.gz MEGQNEQCMIZOJN-WCQYABFASA-N 1 3 236.359 1.729 10 0 BDAEHO C[C@@H]1C[C@H](C)[C@@H](CN)[C@H](C2CCOCC2)[NH2+]1 ZINC000757209803 582560232 /nfs/dbraw/zinc/56/02/32/582560232.db2.gz GKLPKHSZCXIFDC-YGNMPJRFSA-N 1 3 226.364 1.374 10 0 BDAEHO [NH3+][C@H]1CNC[C@H](c2cccc3cc[nH]c32)C1 ZINC000757217810 582561982 /nfs/dbraw/zinc/56/19/82/582561982.db2.gz SNRCLOWWJLILMO-GHMZBOCLSA-N 1 3 215.300 1.572 10 0 BDAEHO Nc1cccc([C@@H]2CC[C@H](C[NH3+])NC2)c1 ZINC000757218552 582562767 /nfs/dbraw/zinc/56/27/67/582562767.db2.gz WABHZXWLJGDTIV-ZYHUDNBSSA-N 1 3 205.305 1.063 10 0 BDAEHO C[N@@H+]1CCCC[C@@H]1CCn1ccnc1N ZINC000702458516 582926477 /nfs/dbraw/zinc/92/64/77/582926477.db2.gz BLNWSIHZWNCONY-SNVBAGLBSA-N 1 3 208.309 1.340 10 0 BDAEHO C[N@H+]1CCCC[C@@H]1CCn1ccnc1N ZINC000702458516 582926480 /nfs/dbraw/zinc/92/64/80/582926480.db2.gz BLNWSIHZWNCONY-SNVBAGLBSA-N 1 3 208.309 1.340 10 0 BDAEHO Nc1ccc([C@@H]2CCC[NH2+]C2)c2c1CNCC2 ZINC000757209340 586438543 /nfs/dbraw/zinc/43/85/43/586438543.db2.gz DQCPEBQGAVLMDH-SNVBAGLBSA-N 1 3 231.343 1.382 10 0 BDAEHO COC(=O)[C@@H]1CCN[C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757210834 586438759 /nfs/dbraw/zinc/43/87/59/586438759.db2.gz HLIGWGRKOWWAEH-CHWSQXEVSA-N 1 3 248.326 1.359 10 0 BDAEHO CC(=O)c1cccc([C@@H]2CNC[C@@H](C[NH3+])C2)c1 ZINC000757212332 586439321 /nfs/dbraw/zinc/43/93/21/586439321.db2.gz IIKGPQHBOVZNIF-RISCZKNCSA-N 1 3 232.327 1.541 10 0 BDAEHO CC(=O)c1cccc([C@@H]2C[NH2+]C[C@@H](CN)C2)c1 ZINC000757212332 586439323 /nfs/dbraw/zinc/43/93/23/586439323.db2.gz IIKGPQHBOVZNIF-RISCZKNCSA-N 1 3 232.327 1.541 10 0 BDAEHO C[C@@H]1CC[C@H](CN)[C@@H](C2CCOCC2)[NH2+]1 ZINC000757213227 586439523 /nfs/dbraw/zinc/43/95/23/586439523.db2.gz OZLDGWDVNYEERS-YUSALJHKSA-N 1 3 212.337 1.128 10 0 BDAEHO [NH3+]C[C@H]1CNC[C@H](c2cccc(C=O)c2)C1 ZINC000757219968 586442374 /nfs/dbraw/zinc/44/23/74/586442374.db2.gz ZLXJTMVYHDJBKB-WCQYABFASA-N 1 3 218.300 1.151 10 0 BDAEHO NC[C@H]1C[NH2+]C[C@H](c2cccc(C=O)c2)C1 ZINC000757219968 586442375 /nfs/dbraw/zinc/44/23/75/586442375.db2.gz ZLXJTMVYHDJBKB-WCQYABFASA-N 1 3 218.300 1.151 10 0 BDAEHO Cc1ccc(N)cc1[C@H]1CC[C@@H](N)C[NH2+]1 ZINC000757236250 586443687 /nfs/dbraw/zinc/44/36/87/586443687.db2.gz NSAOPYPCUNZMRL-ZYHUDNBSSA-N 1 3 205.305 1.329 10 0 BDAEHO C[C@@H](CN[C@@H]1CCC[NH2+]CC1)N1CCCCC1 ZINC000129161091 591267206 /nfs/dbraw/zinc/26/72/06/591267206.db2.gz CWAMDSHSKZRHIR-UONOGXRCSA-N 1 3 239.407 1.593 10 0 BDAEHO CCCCOC[C@@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000227911220 640853423 /nfs/dbraw/zinc/85/34/23/640853423.db2.gz UBJOVYJYZLQAIC-LBPRGKRZSA-N 1 3 246.395 1.081 10 0 BDAEHO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2CCCO2)C1 ZINC000082645568 643362800 /nfs/dbraw/zinc/36/28/00/643362800.db2.gz VRYJPWNQEQQBLN-SRVKXCTJSA-N 1 3 212.337 1.225 10 0 BDAEHO C[C@@H]1[NH2+][C@H](c2cccc(N)c2)CC[C@@H]1N ZINC000757211077 643371897 /nfs/dbraw/zinc/37/18/97/643371897.db2.gz FTRVCMCNEZFCAU-UWJYBYFXSA-N 1 3 205.305 1.409 10 0 BDAEHO COC[C@H](CN1C[C@H]([NH3+])[C@@H](C)C1)C(C)C ZINC000721909657 711814636 /nfs/dbraw/zinc/81/46/36/711814636.db2.gz AZZFHHYXGUPTRB-SRVKXCTJSA-N 1 3 214.353 1.184 10 0 BDAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3ccns3)C[C@H]12 ZINC000719833985 712823696 /nfs/dbraw/zinc/82/36/96/712823696.db2.gz UPPTZLDTZFQZHU-ADEWGFFLSA-N 1 3 237.372 1.355 10 0 BDAEHO CN(C[C@@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]CC1 ZINC000708347535 712190302 /nfs/dbraw/zinc/19/03/02/712190302.db2.gz JCSZGUFZCCTWPG-OLZOCXBDSA-N 1 3 240.391 1.875 10 0 BDAEHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1CCNCC1 ZINC000716665308 712568974 /nfs/dbraw/zinc/56/89/74/712568974.db2.gz HCTPTLJRATWRSL-VCDKRKBESA-N 1 3 208.349 1.620 10 0 BDAEHO NC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720788226 712865178 /nfs/dbraw/zinc/86/51/78/712865178.db2.gz IUZIJSBIPIDZJG-CYDGBPFRSA-N 1 3 224.348 1.367 10 0 BDAEHO NC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720788226 712865179 /nfs/dbraw/zinc/86/51/79/712865179.db2.gz IUZIJSBIPIDZJG-CYDGBPFRSA-N 1 3 224.348 1.367 10 0 BDAEHO CCCN1CC[C@H]([NH3+])[C@]12CCCSC2 ZINC000685955230 538900611 /nfs/dbraw/zinc/90/06/11/538900611.db2.gz WJEVZOCOEZQWOT-WDEREUQCSA-N 1 3 214.378 1.695 10 0 BDAEHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCNCC2)[C@@H](C)O1 ZINC000423174925 398164574 /nfs/dbraw/zinc/16/45/74/398164574.db2.gz DCLZDNICVXOIGW-FDYHWXHSSA-N 1 3 226.364 1.532 10 0 BDAEHO FC1(F)CCCC[C@@H]1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381701290 398270088 /nfs/dbraw/zinc/27/00/88/398270088.db2.gz OVBIAVFMWYLHQJ-IJLUTSLNSA-N 1 3 244.329 1.963 10 0 BDAEHO CNc1cccc([C@H]2CC[N@H+](CCN)C2)c1 ZINC000616612787 349580521 /nfs/dbraw/zinc/58/05/21/349580521.db2.gz SBMHCLYLMMTJAH-LBPRGKRZSA-N 1 3 219.332 1.476 10 0 BDAEHO CNc1cccc([C@H]2CC[N@@H+](CCN)C2)c1 ZINC000616612787 349580524 /nfs/dbraw/zinc/58/05/24/349580524.db2.gz SBMHCLYLMMTJAH-LBPRGKRZSA-N 1 3 219.332 1.476 10 0 BDAEHO C[C@@H](C[NH2+]CCCNCCO)c1ccccc1 ZINC000013732731 342870923 /nfs/dbraw/zinc/87/09/23/342870923.db2.gz DHISMQLBQIMJLV-ZDUSSCGKSA-N 1 3 236.359 1.352 10 0 BDAEHO CCN1CCN(c2ccc(NC(N)=[NH2+])cc2)CC1 ZINC000117121490 342944298 /nfs/dbraw/zinc/94/42/98/342944298.db2.gz RFINXLIBIUZKIS-UHFFFAOYSA-N 1 3 247.346 1.134 10 0 BDAEHO COC(C)(C)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000159220182 349754807 /nfs/dbraw/zinc/75/48/07/349754807.db2.gz DSDXCQGWOAKMAM-UWVGGRQHSA-N 1 3 200.326 1.081 10 0 BDAEHO O[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000051770114 343260050 /nfs/dbraw/zinc/26/00/50/343260050.db2.gz ZZRBITDBOIDAJH-CHWSQXEVSA-N 1 3 226.364 1.365 10 0 BDAEHO O[C@@H]1CCCC[C@H]1NCCC[NH+]1CCCC1 ZINC000051770114 343260052 /nfs/dbraw/zinc/26/00/52/343260052.db2.gz ZZRBITDBOIDAJH-CHWSQXEVSA-N 1 3 226.364 1.365 10 0 BDAEHO C([NH2+]C1CCNCC1)C(C1CC1)C1CC1 ZINC000083894095 343506487 /nfs/dbraw/zinc/50/64/87/343506487.db2.gz MEEBYCAFTWZWHH-UHFFFAOYSA-N 1 3 208.349 1.764 10 0 BDAEHO CCC[N@@H+]1CC[C@H](N)C12CCN(C1CC1)CC2 ZINC000712083520 537783997 /nfs/dbraw/zinc/78/39/97/537783997.db2.gz DIQWCIRBAUITKB-ZDUSSCGKSA-N 1 3 237.391 1.426 10 0 BDAEHO CCC[N@H+]1CC[C@H](N)C12CCN(C1CC1)CC2 ZINC000712083520 537784002 /nfs/dbraw/zinc/78/40/02/537784002.db2.gz DIQWCIRBAUITKB-ZDUSSCGKSA-N 1 3 237.391 1.426 10 0 BDAEHO NCCC[N@H+](CC1CC1)C1CCOCC1 ZINC000409428143 343802677 /nfs/dbraw/zinc/80/26/77/343802677.db2.gz FZHXMOWFRKVZQK-UHFFFAOYSA-N 1 3 212.337 1.226 10 0 BDAEHO NCCC[N@@H+](CC1CC1)C1CCOCC1 ZINC000409428143 343802678 /nfs/dbraw/zinc/80/26/78/343802678.db2.gz FZHXMOWFRKVZQK-UHFFFAOYSA-N 1 3 212.337 1.226 10 0 BDAEHO FC(F)[C@@H]1CC[N@@H+](C2CCNCC2)C1 ZINC000409427156 343800052 /nfs/dbraw/zinc/80/00/52/343800052.db2.gz JSJDAUQTRGRWPM-MRVPVSSYSA-N 1 3 204.264 1.325 10 0 BDAEHO FC(F)[C@@H]1CC[N@H+](C2CCNCC2)C1 ZINC000409427156 343800055 /nfs/dbraw/zinc/80/00/55/343800055.db2.gz JSJDAUQTRGRWPM-MRVPVSSYSA-N 1 3 204.264 1.325 10 0 BDAEHO CC(C)N1CCOc2ccc(C[NH3+])cc2C1 ZINC000409422510 343813798 /nfs/dbraw/zinc/81/37/98/343813798.db2.gz HOQKJAVKJRVHNZ-UHFFFAOYSA-N 1 3 220.316 1.748 10 0 BDAEHO OC[C@]12C[N@@H+](C3CCNCC3)C[C@@H]1CCCC2 ZINC000409435592 343834316 /nfs/dbraw/zinc/83/43/16/343834316.db2.gz VOUUQZXGPPCBRE-JSGCOSHPSA-N 1 3 238.375 1.223 10 0 BDAEHO OC[C@]12C[N@H+](C3CCNCC3)C[C@@H]1CCCC2 ZINC000409435592 343834318 /nfs/dbraw/zinc/83/43/18/343834318.db2.gz VOUUQZXGPPCBRE-JSGCOSHPSA-N 1 3 238.375 1.223 10 0 BDAEHO NCCC[N@@H+]1C[C@H](CO)C2(C1)CCCCC2 ZINC000409436089 343837268 /nfs/dbraw/zinc/83/72/68/343837268.db2.gz YAYSYUVRZQMFCM-GFCCVEGCSA-N 1 3 226.364 1.210 10 0 BDAEHO NCCC[N@H+]1C[C@H](CO)C2(C1)CCCCC2 ZINC000409436089 343837271 /nfs/dbraw/zinc/83/72/71/343837271.db2.gz YAYSYUVRZQMFCM-GFCCVEGCSA-N 1 3 226.364 1.210 10 0 BDAEHO CCOC[C@@H]1C[N@@H+](C2CCNCC2)CC1(C)C ZINC000409436151 343837547 /nfs/dbraw/zinc/83/75/47/343837547.db2.gz YJDJQNXOGWAWGS-LBPRGKRZSA-N 1 3 240.391 1.733 10 0 BDAEHO CCOC[C@@H]1C[N@H+](C2CCNCC2)CC1(C)C ZINC000409436151 343837549 /nfs/dbraw/zinc/83/75/49/343837549.db2.gz YJDJQNXOGWAWGS-LBPRGKRZSA-N 1 3 240.391 1.733 10 0 BDAEHO CCOC[C@@H]1CN(C2CC[NH2+]CC2)CC1(C)C ZINC000409436151 343837552 /nfs/dbraw/zinc/83/75/52/343837552.db2.gz YJDJQNXOGWAWGS-LBPRGKRZSA-N 1 3 240.391 1.733 10 0 BDAEHO OC[C@@H]1C[N@@H+](C2CCNCC2)CC12CCCC2 ZINC000409436216 343837986 /nfs/dbraw/zinc/83/79/86/343837986.db2.gz YSNCAZGLOVIHHP-LBPRGKRZSA-N 1 3 238.375 1.223 10 0 BDAEHO OC[C@@H]1C[N@H+](C2CCNCC2)CC12CCCC2 ZINC000409436216 343837987 /nfs/dbraw/zinc/83/79/87/343837987.db2.gz YSNCAZGLOVIHHP-LBPRGKRZSA-N 1 3 238.375 1.223 10 0 BDAEHO CC(C)C[C@H]1C[N@@H+](C2CCNCC2)CC[C@H]1O ZINC000409435793 343839922 /nfs/dbraw/zinc/83/99/22/343839922.db2.gz WOPXZLYJMAQCBK-GXTWGEPZSA-N 1 3 240.391 1.467 10 0 BDAEHO CC(C)C[C@H]1C[N@H+](C2CCNCC2)CC[C@H]1O ZINC000409435793 343839923 /nfs/dbraw/zinc/83/99/23/343839923.db2.gz WOPXZLYJMAQCBK-GXTWGEPZSA-N 1 3 240.391 1.467 10 0 BDAEHO CC(C)C[C@H]1CN(C2CC[NH2+]CC2)CC[C@H]1O ZINC000409435793 343839924 /nfs/dbraw/zinc/83/99/24/343839924.db2.gz WOPXZLYJMAQCBK-GXTWGEPZSA-N 1 3 240.391 1.467 10 0 BDAEHO C[C@@H](NCCN1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000570507934 323061601 /nfs/dbraw/zinc/06/16/01/323061601.db2.gz UUHORMSPDROIBN-ZIAGYGMSSA-N 1 3 237.391 1.226 10 0 BDAEHO C[C@H]([NH2+]C[C@@]1(C)CCCO1)[C@H]1CCCNC1 ZINC000570663829 323066360 /nfs/dbraw/zinc/06/63/60/323066360.db2.gz FNUGBPQFOBXPFL-RWMBFGLXSA-N 1 3 226.364 1.533 10 0 BDAEHO C[C@H](NC[C@@]1(C)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000570663829 323066361 /nfs/dbraw/zinc/06/63/61/323066361.db2.gz FNUGBPQFOBXPFL-RWMBFGLXSA-N 1 3 226.364 1.533 10 0 BDAEHO COC(=O)CCCC[N@H+](C)[C@@H]1CCCNCC1 ZINC000600706007 344360224 /nfs/dbraw/zinc/36/02/24/344360224.db2.gz BZRMVAZPVNNALD-GFCCVEGCSA-N 1 3 242.363 1.404 10 0 BDAEHO COC(=O)CCCC[N@@H+](C)[C@@H]1CCCNCC1 ZINC000600706007 344360226 /nfs/dbraw/zinc/36/02/26/344360226.db2.gz BZRMVAZPVNNALD-GFCCVEGCSA-N 1 3 242.363 1.404 10 0 BDAEHO [NH3+]C[C@]1(NC2CC2)CCc2ccccc2C1 ZINC000050271342 344665241 /nfs/dbraw/zinc/66/52/41/344665241.db2.gz FHWBQYAXLGLHDT-AWEZNQCLSA-N 1 3 216.328 1.625 10 0 BDAEHO C[C@H]1CCN([C@@]2(C[NH3+])CCSC2)C1 ZINC000226756655 344685589 /nfs/dbraw/zinc/68/55/89/344685589.db2.gz QDWJCWZVZIOOBA-VHSXEESVSA-N 1 3 200.351 1.163 10 0 BDAEHO C([NH2+][C@@]12C[C@@H]1CCCC2)[C@@H]1CCCNC1 ZINC000635001061 345202888 /nfs/dbraw/zinc/20/28/88/345202888.db2.gz DSMZJUGZWJAORX-AGIUHOORSA-N 1 3 208.349 1.908 10 0 BDAEHO COC(C)(C)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000229139241 345439318 /nfs/dbraw/zinc/43/93/18/345439318.db2.gz DSDXCQGWOAKMAM-VHSXEESVSA-N 1 3 200.326 1.081 10 0 BDAEHO [NH3+]CCN1CCN([C@H]2CCc3ccccc32)CC1 ZINC000034522525 345830807 /nfs/dbraw/zinc/83/08/07/345830807.db2.gz YABLKWFIOOTQGY-HNNXBMFYSA-N 1 3 245.370 1.250 10 0 BDAEHO CCC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000582073871 347176127 /nfs/dbraw/zinc/17/61/27/347176127.db2.gz SOWIOTJXZVIJHV-AVGNSLFASA-N 1 3 228.380 1.515 10 0 BDAEHO CCC[C@](C)(O)CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000582073871 347176132 /nfs/dbraw/zinc/17/61/32/347176132.db2.gz SOWIOTJXZVIJHV-AVGNSLFASA-N 1 3 228.380 1.515 10 0 BDAEHO Cc1ccccc1CN(C)[C@@]1(CN)CC[N@H+](C)C1 ZINC000061990393 179269219 /nfs/dbraw/zinc/26/92/19/179269219.db2.gz NKZKQZFWAITTGP-OAHLLOKOSA-N 1 3 247.386 1.460 10 0 BDAEHO Cc1ccccc1CN(C)[C@@]1(CN)CC[N@@H+](C)C1 ZINC000061990393 179269221 /nfs/dbraw/zinc/26/92/21/179269221.db2.gz NKZKQZFWAITTGP-OAHLLOKOSA-N 1 3 247.386 1.460 10 0 BDAEHO CC(C)C[C@@H](CN(C)C)NC(=O)CCCC[NH3+] ZINC000070201723 349976628 /nfs/dbraw/zinc/97/66/28/349976628.db2.gz IJXAPDYYHXTYKA-LBPRGKRZSA-N 1 3 243.395 1.208 10 0 BDAEHO Cc1ccccc1N(CCC[NH3+])CCN(C)C ZINC000036730476 179295854 /nfs/dbraw/zinc/29/58/54/179295854.db2.gz DLIGCRGRETUUCM-UHFFFAOYSA-N 1 3 235.375 1.712 10 0 BDAEHO C[C@@H]1CN([C@@H]2CCSC2)CC[C@H]1[NH3+] ZINC000251736597 362902101 /nfs/dbraw/zinc/90/21/01/362902101.db2.gz KPEOYBKZSKYBFZ-OPRDCNLKSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1CSCCN1[C@H]1CC[C@H]([NH3+])C1 ZINC000251853374 350905048 /nfs/dbraw/zinc/90/50/48/350905048.db2.gz RSFROWGUWKGZOW-UTLUCORTSA-N 1 3 200.351 1.304 10 0 BDAEHO C[NH2+]C[C@@H](O)CCN(C)Cc1ccccc1 ZINC000307030675 351431348 /nfs/dbraw/zinc/43/13/48/351431348.db2.gz DSSHOVACAIPXKD-ZDUSSCGKSA-N 1 3 222.332 1.089 10 0 BDAEHO C[C@@H]1CC[C@H](C[NH3+])CN1C1CSC1 ZINC000307131049 351495464 /nfs/dbraw/zinc/49/54/64/351495464.db2.gz SPRPYGDTPGOQDZ-RKDXNWHRSA-N 1 3 200.351 1.161 10 0 BDAEHO CSC1CC[NH+]([C@H](C)[C@H](C)N)CC1 ZINC000307148465 351501760 /nfs/dbraw/zinc/50/17/60/351501760.db2.gz QDEQABDWHKRZPL-DTWKUNHWSA-N 1 3 202.367 1.550 10 0 BDAEHO CSC1CC[NH+]([C@@H](C)[C@@H](C)N)CC1 ZINC000307148464 351501983 /nfs/dbraw/zinc/50/19/83/351501983.db2.gz QDEQABDWHKRZPL-BDAKNGLRSA-N 1 3 202.367 1.550 10 0 BDAEHO C[C@@H]1[C@H](C)SCCN1C/C=C/C[NH3+] ZINC000132429830 353381172 /nfs/dbraw/zinc/38/11/72/353381172.db2.gz APSZLGCSQMPINC-OKWQPMOJSA-N 1 3 200.351 1.327 10 0 BDAEHO C[C@@H]1SCCN(C/C=C\C[NH3+])[C@H]1C ZINC000308078057 353767175 /nfs/dbraw/zinc/76/71/75/353767175.db2.gz APSZLGCSQMPINC-CMIOBCHKSA-N 1 3 200.351 1.327 10 0 BDAEHO COC(C)(C)[C@H](C)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000301039087 363358857 /nfs/dbraw/zinc/35/88/57/363358857.db2.gz YLUAWSJQJYKHQJ-GUBZILKMSA-N 1 3 200.326 1.079 10 0 BDAEHO CSCCCCC[NH2+]C1CCNCC1 ZINC000235130611 363438301 /nfs/dbraw/zinc/43/83/01/363438301.db2.gz BZQMFBWYIGNKNL-UHFFFAOYSA-N 1 3 216.394 1.861 10 0 BDAEHO C[C@@H]1COC[C@H](C)N1CC[C@H]1CCC[NH2+]C1 ZINC000420303496 192207431 /nfs/dbraw/zinc/20/74/31/192207431.db2.gz NNZRWZVRPPWAGS-FRRDWIJNSA-N 1 3 226.364 1.485 10 0 BDAEHO CC(C)OCCC[N@@H+]1C[C@@H](C)[C@@H](N)C1 ZINC000420354174 192218831 /nfs/dbraw/zinc/21/88/31/192218831.db2.gz BOXXJTNZILQNOO-MNOVXSKESA-N 1 3 200.326 1.081 10 0 BDAEHO CC(C)OCCC[N@H+]1C[C@@H](C)[C@@H](N)C1 ZINC000420354174 192218833 /nfs/dbraw/zinc/21/88/33/192218833.db2.gz BOXXJTNZILQNOO-MNOVXSKESA-N 1 3 200.326 1.081 10 0 BDAEHO [NH3+][C@@H]1C=C(CCC2CCOCC2)CNC1 ZINC000675079483 538518534 /nfs/dbraw/zinc/51/85/34/538518534.db2.gz ZLFLRBDMPNRSQL-GFCCVEGCSA-N 1 3 210.321 1.050 10 0 BDAEHO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCNC1 ZINC000584768887 358171461 /nfs/dbraw/zinc/17/14/61/358171461.db2.gz JQBZQGYSUPMWBA-FDYHWXHSSA-N 1 3 240.391 1.920 10 0 BDAEHO CC[C@@H](O)C1CC[NH+](C2CCNCC2)CC1 ZINC000584612569 358275681 /nfs/dbraw/zinc/27/56/81/358275681.db2.gz BGRIBZLCNWYISV-CYBMUJFWSA-N 1 3 226.364 1.221 10 0 BDAEHO C[C@@H](CC(N)=[NH2+])N1CCSC[C@H]1C ZINC000069761060 360409430 /nfs/dbraw/zinc/40/94/30/360409430.db2.gz VTTVNSLTHKCKHS-JGVFFNPUSA-N 1 3 201.339 1.138 10 0 BDAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@H]2CN1Cc1ccccc1 ZINC000252554217 363892635 /nfs/dbraw/zinc/89/26/35/363892635.db2.gz HEJHVNANPCGZAN-XBFCOCLRSA-N 1 3 216.328 1.726 10 0 BDAEHO CO[C@@H]1CN(CC2CC(C)(C)C2)[C@@](C)(C[NH3+])C1 ZINC000630366291 364086228 /nfs/dbraw/zinc/08/62/28/364086228.db2.gz KALHALIMQXGIER-GXTWGEPZSA-N 1 3 240.391 1.861 10 0 BDAEHO NCC(C[NH3+])c1c(Cl)cccc1Cl ZINC000039375617 181356808 /nfs/dbraw/zinc/35/68/08/181356808.db2.gz BUZIYPJUWYTGBZ-UHFFFAOYSA-N 1 3 219.115 1.994 10 0 BDAEHO [NH3+]CCCNCCSC1CCCCC1 ZINC000027298766 181382159 /nfs/dbraw/zinc/38/21/59/181382159.db2.gz RWNNXBYJTQIVOZ-UHFFFAOYSA-N 1 3 216.394 1.991 10 0 BDAEHO NCCC[NH2+]CCSC1CCCCC1 ZINC000027298766 181382167 /nfs/dbraw/zinc/38/21/67/181382167.db2.gz RWNNXBYJTQIVOZ-UHFFFAOYSA-N 1 3 216.394 1.991 10 0 BDAEHO OCC[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000444596367 193052462 /nfs/dbraw/zinc/05/24/62/193052462.db2.gz MZGCHGKRUNPDHP-AWEZNQCLSA-N 1 3 240.391 1.567 10 0 BDAEHO Cc1cnccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000384906619 367755075 /nfs/dbraw/zinc/75/50/75/367755075.db2.gz AOVONUGZGRHLFE-IHRRRGAJSA-N 1 3 231.343 1.559 10 0 BDAEHO C[C@H]([NH2+][C@@H](CO)C1CCCC1)[C@@H]1CCCNC1 ZINC000566088738 325992360 /nfs/dbraw/zinc/99/23/60/325992360.db2.gz DJNVZUNBILFKEK-YUTCNCBUSA-N 1 3 240.391 1.515 10 0 BDAEHO OC[C@@H]([NH2+][C@@H]1CCCNCC1)C1CCCCC1 ZINC000386305925 367948269 /nfs/dbraw/zinc/94/82/69/367948269.db2.gz WEDPFBQXMCQLEB-ZIAGYGMSSA-N 1 3 240.391 1.659 10 0 BDAEHO OC[C@@H](N[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000386305925 367948276 /nfs/dbraw/zinc/94/82/76/367948276.db2.gz WEDPFBQXMCQLEB-ZIAGYGMSSA-N 1 3 240.391 1.659 10 0 BDAEHO C[C@H](CN1CCCO[C@H](C)C1)[C@H](C)[NH3+] ZINC000252842413 368162705 /nfs/dbraw/zinc/16/27/05/368162705.db2.gz COJAZENALVBDCJ-MXWKQRLJSA-N 1 3 200.326 1.081 10 0 BDAEHO C[C@@H]1CN([C@H]2CCCSC2)CCC[NH2+]1 ZINC000252979140 368177154 /nfs/dbraw/zinc/17/71/54/368177154.db2.gz GJEVSFWVVVHYBG-MNOVXSKESA-N 1 3 214.378 1.566 10 0 BDAEHO [NH3+][C@@H]1CCC[C@@H]1CN1CCSCC1 ZINC000053864448 181581669 /nfs/dbraw/zinc/58/16/69/181581669.db2.gz BRGSVQIQYYJGBQ-NXEZZACHSA-N 1 3 200.351 1.163 10 0 BDAEHO C[C@H]([NH2+]C[C@H]1CCCS1)[C@@H]1CCCNC1 ZINC000573234933 326436949 /nfs/dbraw/zinc/43/69/49/326436949.db2.gz WWVJRWSUGYAQFC-QJPTWQEYSA-N 1 3 228.405 1.860 10 0 BDAEHO C[C@@H]1[C@H](C)SCC[N@@H+]1CC1(N)CC1 ZINC000132488831 371836154 /nfs/dbraw/zinc/83/61/54/371836154.db2.gz NTNNFRURRBHVQK-BDAKNGLRSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1[C@H](C)SCC[N@H+]1CC1(N)CC1 ZINC000132488831 371836159 /nfs/dbraw/zinc/83/61/59/371836159.db2.gz NTNNFRURRBHVQK-BDAKNGLRSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@@H]1SCCN([C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000132792530 371923849 /nfs/dbraw/zinc/92/38/49/371923849.db2.gz LOMGLRAUQAZDOU-XWLWVQCSSA-N 1 3 214.378 1.692 10 0 BDAEHO COc1cccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838945 372634193 /nfs/dbraw/zinc/63/41/93/372634193.db2.gz XHXREPUQNAOPIU-YPMHNXCESA-N 1 3 234.343 1.722 10 0 BDAEHO C[C@H](c1ccncc1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840027 372636740 /nfs/dbraw/zinc/63/67/40/372636740.db2.gz OJXSJWZVYJMDGC-WZRBSPASSA-N 1 3 219.332 1.669 10 0 BDAEHO C[C@@H]1CN(CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000631841074 372639315 /nfs/dbraw/zinc/63/93/15/372639315.db2.gz XUAIROFBYQHYAW-YPMHNXCESA-N 1 3 219.332 1.151 10 0 BDAEHO Cc1cccc(OCCN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631843189 372640505 /nfs/dbraw/zinc/64/05/05/372640505.db2.gz KDNSMHMLXCPQRW-UONOGXRCSA-N 1 3 248.370 1.900 10 0 BDAEHO O[C@H]1CCCCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000062072615 183231745 /nfs/dbraw/zinc/23/17/45/183231745.db2.gz SIGRSFDPSFXMQV-KBPBESRZSA-N 1 3 240.391 1.756 10 0 BDAEHO CCCN1CCN(C[C@H](C)C[NH2+]C(C)C)CC1 ZINC000052421802 169202565 /nfs/dbraw/zinc/20/25/65/169202565.db2.gz CBSGHHWQGOMTDY-CQSZACIVSA-N 1 3 241.423 1.648 10 0 BDAEHO CCCN1CCN([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000019266885 169203890 /nfs/dbraw/zinc/20/38/90/169203890.db2.gz LGXXSCHJMAPARW-HNNXBMFYSA-N 1 3 247.386 1.714 10 0 BDAEHO CCC[NH2+]CCCCCN1CCN(CC)CC1 ZINC000052422453 169256918 /nfs/dbraw/zinc/25/69/18/169256918.db2.gz ZAVASCYIMWONGU-UHFFFAOYSA-N 1 3 241.423 1.794 10 0 BDAEHO CCC[NH2+]C[C@@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055074062 169261621 /nfs/dbraw/zinc/26/16/21/169261621.db2.gz KBLZTBMOBHIGDX-UONOGXRCSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+]C[C@@H](C)OC1CCN(C)CC1 ZINC000052596494 169261632 /nfs/dbraw/zinc/26/16/32/169261632.db2.gz XUKUWUUUTKQUEE-LLVKDONJSA-N 1 3 214.353 1.485 10 0 BDAEHO CCC[NH2+]C[C@@H](CC)N1CCN(C(C)C)CC1 ZINC000052479989 169262659 /nfs/dbraw/zinc/26/26/59/169262659.db2.gz GNNSANJDBZZSRV-CQSZACIVSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+][C@H](C)CCN1CCN(CC)[C@H](C)C1 ZINC000104137076 169286049 /nfs/dbraw/zinc/28/60/49/169286049.db2.gz BEURULBGRCWKDW-ZIAGYGMSSA-N 1 3 241.423 1.791 10 0 BDAEHO CCC[NH2+][C@H]1CCCC[C@@H]1CN(CC)CCO ZINC000053858511 169290714 /nfs/dbraw/zinc/29/07/14/169290714.db2.gz ZBQPPKUBDOXSCS-KGLIPLIRSA-N 1 3 242.407 1.859 10 0 BDAEHO CCCNC[C@H](O)C[N@H+](CCOC)[C@@H](C)CC ZINC000042580676 169263386 /nfs/dbraw/zinc/26/33/86/169263386.db2.gz NDXPUWXXOYVXSI-STQMWFEESA-N 1 3 246.395 1.094 10 0 BDAEHO CCCNC[C@H](O)C[N@@H+](CCOC)[C@@H](C)CC ZINC000042580676 169263388 /nfs/dbraw/zinc/26/33/88/169263388.db2.gz NDXPUWXXOYVXSI-STQMWFEESA-N 1 3 246.395 1.094 10 0 BDAEHO CCC[NH2+]C[C@]1(CN2CCC[C@@H]2C)CCOC1 ZINC000051205789 169264470 /nfs/dbraw/zinc/26/44/70/169264470.db2.gz FSLMOTZMVSCZMY-KBPBESRZSA-N 1 3 240.391 1.877 10 0 BDAEHO CCCO[C@@H]1CCCN([C@@H](CC)CC(N)=[NH2+])C1 ZINC000042422684 169311447 /nfs/dbraw/zinc/31/14/47/169311447.db2.gz YBYFMLLNBMBQML-NWDGAFQWSA-N 1 3 241.379 1.982 10 0 BDAEHO CCC[C@@H]([NH3+])[C@@H](CC)N1CCN(C(C)C)CC1 ZINC000036170893 169393071 /nfs/dbraw/zinc/39/30/71/169393071.db2.gz BRDZQRNIGFTPLM-ZIAGYGMSSA-N 1 3 241.423 1.918 10 0 BDAEHO CCC[C@@H](N)[C@@H](CC)[N@H+](C)C1CCN(C)CC1 ZINC000054320093 169393152 /nfs/dbraw/zinc/39/31/52/169393152.db2.gz OHQNAIASECKDLS-ZIAGYGMSSA-N 1 3 241.423 1.918 10 0 BDAEHO CCC[C@@H](N)[C@@H](CC)[N@@H+](C)C1CCN(C)CC1 ZINC000054320093 169393153 /nfs/dbraw/zinc/39/31/53/169393153.db2.gz OHQNAIASECKDLS-ZIAGYGMSSA-N 1 3 241.423 1.918 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000310296942 384750243 /nfs/dbraw/zinc/75/02/43/384750243.db2.gz MHPDAJAMKLSBIX-RWMBFGLXSA-N 1 3 240.391 1.610 10 0 BDAEHO CC(C)(C)[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310296942 384750248 /nfs/dbraw/zinc/75/02/48/384750248.db2.gz MHPDAJAMKLSBIX-RWMBFGLXSA-N 1 3 240.391 1.610 10 0 BDAEHO CO[C@H](C)CC[NH2+][C@H]1CCCNCC1 ZINC000308549431 384796333 /nfs/dbraw/zinc/79/63/33/384796333.db2.gz SUHWQGLQQVLQLQ-MNOVXSKESA-N 1 3 200.326 1.143 10 0 BDAEHO CCN(CCO)CCNc1cc[nH+]c(C)c1 ZINC000302381793 384992500 /nfs/dbraw/zinc/99/25/00/384992500.db2.gz DSVJVQFZAVLPAM-UHFFFAOYSA-N 1 3 223.320 1.116 10 0 BDAEHO C([NH2+][C@@H]1CCCNCC1)[C@@H]1CCCSC1 ZINC000336231009 385024422 /nfs/dbraw/zinc/02/44/22/385024422.db2.gz BBTGMBFWNIBQSZ-NWDGAFQWSA-N 1 3 228.405 1.861 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)[C@H]1CCCNC1 ZINC000647803750 385838658 /nfs/dbraw/zinc/83/86/58/385838658.db2.gz AMHLRWRHEPPBDX-WHOHXGKFSA-N 1 3 228.405 1.858 10 0 BDAEHO c1[nH]nc([C@@H]2CCC[NH2+]C2)c1CN1CCCC1 ZINC000216709837 385871452 /nfs/dbraw/zinc/87/14/52/385871452.db2.gz GRKOVEMOVFUWIV-LLVKDONJSA-N 1 3 234.347 1.473 10 0 BDAEHO C[C@H](NC[C@H]1CCCCO1)[C@@H]1CCC[NH2+]C1 ZINC000519693569 386528785 /nfs/dbraw/zinc/52/87/85/386528785.db2.gz QUFFYZURDRWWOJ-YNEHKIRRSA-N 1 3 226.364 1.533 10 0 BDAEHO COc1cccc([C@@H](N)CCC[NH3+])c1OC ZINC000575438217 387111321 /nfs/dbraw/zinc/11/13/21/387111321.db2.gz HMCWLDOEJBCWOM-JTQLQIEISA-N 1 3 224.304 1.443 10 0 BDAEHO N[C@H](CCC[NH3+])c1c(F)ccc(F)c1F ZINC000575438843 387119028 /nfs/dbraw/zinc/11/90/28/387119028.db2.gz CKNJBJDRBWVZCC-MRVPVSSYSA-N 1 3 218.222 1.843 10 0 BDAEHO C[C@@H](NCCc1ccsc1)[C@@H]1CC[NH2+]C1 ZINC000400437795 387303728 /nfs/dbraw/zinc/30/37/28/387303728.db2.gz NDZLHTQFZCBUQJ-ZYHUDNBSSA-N 1 3 224.373 1.878 10 0 BDAEHO C[NH2+][C@H]1CO[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000575508164 387369861 /nfs/dbraw/zinc/36/98/61/387369861.db2.gz OOMUTXJGFMZXGF-CABCVRRESA-N 1 3 246.354 1.639 10 0 BDAEHO C[C@@]1(C(N)=[NH2+])CCN(Cc2ccccc2)C1 ZINC000575517982 387434111 /nfs/dbraw/zinc/43/41/11/387434111.db2.gz YZYJONZFHYDFBN-CYBMUJFWSA-N 1 3 217.316 1.835 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@H]1CCCNC1 ZINC000643456027 387495191 /nfs/dbraw/zinc/49/51/91/387495191.db2.gz UXFAKPYKRWELRY-RVMXOQNASA-N 1 3 226.364 1.268 10 0 BDAEHO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2CN)C[C@H](C)O1 ZINC000423108527 387893474 /nfs/dbraw/zinc/89/34/74/387893474.db2.gz TXIOGSBDYPXXRR-ZUWCUPBKSA-N 1 3 240.391 1.907 10 0 BDAEHO C[C@@H](NCCC1(F)CCC1)[C@@H]1CC[NH2+]C1 ZINC000423113897 387897097 /nfs/dbraw/zinc/89/70/97/387897097.db2.gz UWYYKKNMMNHPKP-GHMZBOCLSA-N 1 3 214.328 1.856 10 0 BDAEHO C(C[C@H]1CCCO1)[NH2+][C@@H]1CCCNCC1 ZINC000168733461 387908025 /nfs/dbraw/zinc/90/80/25/387908025.db2.gz WJHHHPWJZFDHQP-VXGBXAGGSA-N 1 3 212.337 1.287 10 0 BDAEHO CC(C)OCCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643480772 387942568 /nfs/dbraw/zinc/94/25/68/387942568.db2.gz FFLQMZPUPRSJNR-NEPJUHHUSA-N 1 3 214.353 1.389 10 0 BDAEHO CC(C)OCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000643480772 387942573 /nfs/dbraw/zinc/94/25/73/387942573.db2.gz FFLQMZPUPRSJNR-NEPJUHHUSA-N 1 3 214.353 1.389 10 0 BDAEHO Cc1ccc(CCN[C@@H](C)[C@H]2CC[NH2+]C2)nc1 ZINC000423161264 387943437 /nfs/dbraw/zinc/94/34/37/387943437.db2.gz INKRFJZRKHXGFZ-STQMWFEESA-N 1 3 233.359 1.520 10 0 BDAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[C@H](C)O ZINC000086501104 388103767 /nfs/dbraw/zinc/10/37/67/388103767.db2.gz QGTCGHSVMQFRPD-AGIUHOORSA-N 1 3 228.380 1.658 10 0 BDAEHO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000564825723 388891866 /nfs/dbraw/zinc/89/18/66/388891866.db2.gz DRQSVHQVAFJMMA-RWMBFGLXSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@@H](NC[C@H]1CC[C@@H](C)O1)[C@@H]1CC[NH2+]C1 ZINC000400422385 533433941 /nfs/dbraw/zinc/43/39/41/533433941.db2.gz XJIHDSXURSAFAA-DDHJBXDOSA-N 1 3 212.337 1.142 10 0 BDAEHO C[C@@H](N[C@@H](CO)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400512113 533513162 /nfs/dbraw/zinc/51/31/62/533513162.db2.gz FQWSERZPJKDPBH-VHDGCEQUSA-N 1 3 248.370 1.178 10 0 BDAEHO C[C@H]1NC(=N)NC(=[NH2+])N1c1cccc(Cl)c1 ZINC000013488368 132292990 /nfs/dbraw/zinc/29/29/90/132292990.db2.gz CXDXEQLVIUNPDR-LURJTMIESA-N 1 3 237.694 1.135 10 0 BDAEHO [NH3+]CCCCCN1CCN(c2ccccc2)CC1 ZINC000049580620 132356306 /nfs/dbraw/zinc/35/63/06/132356306.db2.gz HJIVAWMQJYTONF-UHFFFAOYSA-N 1 3 247.386 1.938 10 0 BDAEHO C[C@@H]1CN2CCCC[C@H]2CN1CCC[NH+](C)C ZINC000252660686 135094780 /nfs/dbraw/zinc/09/47/80/135094780.db2.gz BYFDFENOWKMFSE-KGLIPLIRSA-N 1 3 239.407 1.497 10 0 BDAEHO CC(C)[NH2+]CCN1CCN2CCCC[C@@H]2C1 ZINC000086929802 135102733 /nfs/dbraw/zinc/10/27/33/135102733.db2.gz VWGKPVIBSBSVEP-CYBMUJFWSA-N 1 3 225.380 1.155 10 0 BDAEHO CC1(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000261536820 135173282 /nfs/dbraw/zinc/17/32/82/135173282.db2.gz TUZZSACGNHGNGW-NWDGAFQWSA-N 1 3 208.349 1.718 10 0 BDAEHO CCC1(C)CCC(NC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000262133922 135280451 /nfs/dbraw/zinc/28/04/51/135280451.db2.gz OJKYZMWDFBABTP-NELGMTEASA-N 1 3 240.391 1.515 10 0 BDAEHO CCC1(C)CCC([NH2+]C[C@H]2CNC[C@H]2O)CC1 ZINC000262133922 135280453 /nfs/dbraw/zinc/28/04/53/135280453.db2.gz OJKYZMWDFBABTP-NELGMTEASA-N 1 3 240.391 1.515 10 0 BDAEHO C[C@]1(CN)CC[N@@H+]([C@@H]2CCSC2)C1 ZINC000307134795 397986590 /nfs/dbraw/zinc/98/65/90/397986590.db2.gz AJVFEOYLVBFUJG-NXEZZACHSA-N 1 3 200.351 1.163 10 0 BDAEHO C[C@]1(CN)CC[N@H+]([C@@H]2CCSC2)C1 ZINC000307134795 397986594 /nfs/dbraw/zinc/98/65/94/397986594.db2.gz AJVFEOYLVBFUJG-NXEZZACHSA-N 1 3 200.351 1.163 10 0 BDAEHO COCC[C@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000160684832 398053597 /nfs/dbraw/zinc/05/35/97/398053597.db2.gz SJMJJQHHCJUTCY-WDEREUQCSA-N 1 3 200.326 1.143 10 0 BDAEHO COC[C@H](CC[NH2+][C@H](C)[C@H]1CCCNC1)OC ZINC000665235626 410726854 /nfs/dbraw/zinc/72/68/54/410726854.db2.gz XKQNYQULJLTQNP-AGIUHOORSA-N 1 3 244.379 1.016 10 0 BDAEHO C[C@@H](NCCc1ccoc1)[C@H]1CC[NH2+]C1 ZINC000665261449 410737144 /nfs/dbraw/zinc/73/71/44/410737144.db2.gz CQFPUIIEMGCFPE-PWSUYJOCSA-N 1 3 208.305 1.410 10 0 BDAEHO CC(C)[NH2+]CCCN1CCN(CC2CC2)CC1 ZINC000042491050 167101905 /nfs/dbraw/zinc/10/19/05/167101905.db2.gz YBYDYWNXISTCNU-UHFFFAOYSA-N 1 3 239.407 1.402 10 0 BDAEHO CC(C)[C@@H](CN(C)C)NC(=O)CCCCC[NH3+] ZINC000049220663 167394578 /nfs/dbraw/zinc/39/45/78/167394578.db2.gz LJDGWKSNOAXKHI-GFCCVEGCSA-N 1 3 243.395 1.208 10 0 BDAEHO Cc1cnc(CCN[C@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000656199705 411204466 /nfs/dbraw/zinc/20/44/66/411204466.db2.gz BCURUEGZONNUBU-ZIAGYGMSSA-N 1 3 247.386 1.829 10 0 BDAEHO Cc1ccc(CNC2CCC([NH3+])CC2)o1 ZINC000051692939 411280439 /nfs/dbraw/zinc/28/04/39/411280439.db2.gz JJFSONPADFOJEL-UHFFFAOYSA-N 1 3 208.305 1.948 10 0 BDAEHO NCC[N@@H+]1CCC[C@H](c2ccnc(N)c2)CC1 ZINC000616627185 411287396 /nfs/dbraw/zinc/28/73/96/411287396.db2.gz FTQAQALIRRWONR-NSHDSACASA-N 1 3 234.347 1.192 10 0 BDAEHO NCC[N@H+]1CCC[C@H](c2ccnc(N)c2)CC1 ZINC000616627185 411287400 /nfs/dbraw/zinc/28/74/00/411287400.db2.gz FTQAQALIRRWONR-NSHDSACASA-N 1 3 234.347 1.192 10 0 BDAEHO CCN1CC[C@@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000037643726 170007520 /nfs/dbraw/zinc/00/75/20/170007520.db2.gz PWGSLKFALVHGSU-ZDUSSCGKSA-N 1 3 234.343 1.824 10 0 BDAEHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCCC[C@@H]2O)C1 ZINC000037894008 170010026 /nfs/dbraw/zinc/01/00/26/170010026.db2.gz MEAVUXUYKIPSPW-MJBXVCDLSA-N 1 3 240.391 1.611 10 0 BDAEHO CC[NH2+]C[C@H](C(C)C)N1CCN(C)C(C)(C)C1 ZINC000104131392 170120871 /nfs/dbraw/zinc/12/08/71/170120871.db2.gz NLEITTJMDUYTHF-CYBMUJFWSA-N 1 3 241.423 1.647 10 0 BDAEHO CCNC[C@@]1(C[N@H+](C)[C@@H](C)C2CC2)CCOC1 ZINC000051217589 170121035 /nfs/dbraw/zinc/12/10/35/170121035.db2.gz JULVUHRVYXVJPQ-GXTWGEPZSA-N 1 3 240.391 1.733 10 0 BDAEHO CCNC[C@@]1(C[N@@H+](C)[C@@H](C)C2CC2)CCOC1 ZINC000051217589 170121036 /nfs/dbraw/zinc/12/10/36/170121036.db2.gz JULVUHRVYXVJPQ-GXTWGEPZSA-N 1 3 240.391 1.733 10 0 BDAEHO CC[NH2+]C[C@@]1(CN(C)[C@@H](C)C2CC2)CCOC1 ZINC000051217589 170121038 /nfs/dbraw/zinc/12/10/38/170121038.db2.gz JULVUHRVYXVJPQ-GXTWGEPZSA-N 1 3 240.391 1.733 10 0 BDAEHO CCNCc1cccc(OCCC[NH+](C)C)n1 ZINC000051549241 170128662 /nfs/dbraw/zinc/12/86/62/170128662.db2.gz DXDOMSQLFJWNMT-UHFFFAOYSA-N 1 3 237.347 1.522 10 0 BDAEHO CC[NH2+][C@H]1CCN(CC2CCOCC2)[C@H](C)C1 ZINC000104193759 170166872 /nfs/dbraw/zinc/16/68/72/170166872.db2.gz ZQSCLSIUWGHPNX-OCCSQVGLSA-N 1 3 240.391 1.875 10 0 BDAEHO CCOC1CC[NH+]([C@@H](C)[C@@H](C)N)CC1 ZINC000041053896 170332089 /nfs/dbraw/zinc/33/20/89/170332089.db2.gz DDHAWXMFYUOUNI-ZJUUUORDSA-N 1 3 200.326 1.223 10 0 BDAEHO CCOC1CC[NH+]([C@H](C)[C@H](C)N)CC1 ZINC000041053899 170332448 /nfs/dbraw/zinc/33/24/48/170332448.db2.gz DDHAWXMFYUOUNI-VHSXEESVSA-N 1 3 200.326 1.223 10 0 BDAEHO CC[C@@H](CN[C@@H]1CCC[NH2+]CC1)OC ZINC000308492670 170830140 /nfs/dbraw/zinc/83/01/40/170830140.db2.gz AKGOWLSFBBVFMC-MNOVXSKESA-N 1 3 200.326 1.143 10 0 BDAEHO CC[C@@H]1CC[C@H]([NH3+])[C@H](CN(CCO)C2CC2)C1 ZINC000053880318 171056262 /nfs/dbraw/zinc/05/62/62/171056262.db2.gz PJPLCCFFPHBDGV-DYEKYZERSA-N 1 3 240.391 1.597 10 0 BDAEHO CC[C@@H]1CO[C@@H](C)CN1CC1(C)CC[NH2+]CC1 ZINC000062841794 171110550 /nfs/dbraw/zinc/11/05/50/171110550.db2.gz WNIGOMDXZNUZHG-QWHCGFSZSA-N 1 3 240.391 1.875 10 0 BDAEHO CC[C@@H]1CO[C@H](C)CN1CC1(C)CC[NH2+]CC1 ZINC000062841792 171112277 /nfs/dbraw/zinc/11/22/77/171112277.db2.gz WNIGOMDXZNUZHG-CHWSQXEVSA-N 1 3 240.391 1.875 10 0 BDAEHO CN1CCC[N@@H+]([C@H](CN)CC(C)(C)C)CC1 ZINC000061839712 173016928 /nfs/dbraw/zinc/01/69/28/173016928.db2.gz CQGVXVHZOYDTLK-LBPRGKRZSA-N 1 3 227.396 1.387 10 0 BDAEHO CN1CCC[N@H+]([C@H](CN)CC(C)(C)C)CC1 ZINC000061839712 173016930 /nfs/dbraw/zinc/01/69/30/173016930.db2.gz CQGVXVHZOYDTLK-LBPRGKRZSA-N 1 3 227.396 1.387 10 0 BDAEHO CN(Cc1ccc(CN)o1)[C@H]1CCC[N@H+](C)C1 ZINC000053249418 173043421 /nfs/dbraw/zinc/04/34/21/173043421.db2.gz LSLVSDSTZKTAII-NSHDSACASA-N 1 3 237.347 1.264 10 0 BDAEHO CN(Cc1ccc(CN)o1)[C@H]1CCC[N@@H+](C)C1 ZINC000053249418 173043422 /nfs/dbraw/zinc/04/34/22/173043422.db2.gz LSLVSDSTZKTAII-NSHDSACASA-N 1 3 237.347 1.264 10 0 BDAEHO CN1CCN([C@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000037157159 173094802 /nfs/dbraw/zinc/09/48/02/173094802.db2.gz STUWIXWQZVSGGK-STQMWFEESA-N 1 3 225.380 1.141 10 0 BDAEHO C[NH2+]CC1(CN(C)C[C@@H]2C[C@H]2C)CCOCC1 ZINC000104426974 173337520 /nfs/dbraw/zinc/33/75/20/173337520.db2.gz VTQKSXHILCSAMH-OLZOCXBDSA-N 1 3 240.391 1.590 10 0 BDAEHO CNCC1(C[N@H+](C)C[C@@H]2C[C@H]2C)CCOCC1 ZINC000104426974 173337521 /nfs/dbraw/zinc/33/75/21/173337521.db2.gz VTQKSXHILCSAMH-OLZOCXBDSA-N 1 3 240.391 1.590 10 0 BDAEHO CNCC1(C[N@@H+](C)C[C@@H]2C[C@H]2C)CCOCC1 ZINC000104426974 173337522 /nfs/dbraw/zinc/33/75/22/173337522.db2.gz VTQKSXHILCSAMH-OLZOCXBDSA-N 1 3 240.391 1.590 10 0 BDAEHO C[NH2+]CC1(CN(CCO)C(C)C)CCCCC1 ZINC000051284646 173337803 /nfs/dbraw/zinc/33/78/03/173337803.db2.gz DCBPQLAGQOPMTD-UHFFFAOYSA-N 1 3 242.407 1.859 10 0 BDAEHO C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC000095075955 173370936 /nfs/dbraw/zinc/37/09/36/173370936.db2.gz XXYORQBLIVDNEL-KBPBESRZSA-N 1 3 234.343 1.089 10 0 BDAEHO CNCc1cccc(N2CCC[C@H]2C[NH+](C)C)n1 ZINC000061654315 173389876 /nfs/dbraw/zinc/38/98/76/173389876.db2.gz ITPWWRFRGWJEHA-ZDUSSCGKSA-N 1 3 248.374 1.331 10 0 BDAEHO CNCc1cccnc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191645 173391640 /nfs/dbraw/zinc/39/16/40/173391640.db2.gz JTTFARBZRWIFTD-LBPRGKRZSA-N 1 3 248.374 1.189 10 0 BDAEHO CNCc1cccnc1N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191645 173391642 /nfs/dbraw/zinc/39/16/42/173391642.db2.gz JTTFARBZRWIFTD-LBPRGKRZSA-N 1 3 248.374 1.189 10 0 BDAEHO COc1ccccc1C[C@@H](C[NH3+])CN1CCCC1 ZINC000011800174 175333173 /nfs/dbraw/zinc/33/31/73/175333173.db2.gz KSKRIOFBSSLSAL-ZDUSSCGKSA-N 1 3 248.370 1.908 10 0 BDAEHO CSC1(C[NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000564823509 322931377 /nfs/dbraw/zinc/93/13/77/322931377.db2.gz ABXQVZZDHRJJRT-QWRGUYRKSA-N 1 3 228.405 1.860 10 0 BDAEHO C[C@@H]1CCC[C@@](CO)(N2CCC[NH2+]CC2)C1 ZINC000038117165 176134106 /nfs/dbraw/zinc/13/41/06/176134106.db2.gz NDPXRTUBVKDYQV-CHWSQXEVSA-N 1 3 226.364 1.223 10 0 BDAEHO C[C@@H]1CC[C@H](N)[C@H]([N@H+](C)C2CCN(C)CC2)C1 ZINC000052684818 176229372 /nfs/dbraw/zinc/22/93/72/176229372.db2.gz CBGJTHCPCCMLGA-KWCYVHTRSA-N 1 3 239.407 1.528 10 0 BDAEHO C[C@@H]1CC[C@H](N)[C@H]([N@@H+](C)C2CCN(C)CC2)C1 ZINC000052684818 176229374 /nfs/dbraw/zinc/22/93/74/176229374.db2.gz CBGJTHCPCCMLGA-KWCYVHTRSA-N 1 3 239.407 1.528 10 0 BDAEHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(C)C1 ZINC000037646708 176278858 /nfs/dbraw/zinc/27/88/58/176278858.db2.gz GHVQRJOPFQJKEL-MQYQWHSLSA-N 1 3 239.407 1.256 10 0 BDAEHO C[C@@H]1CN(CCCC[NH2+]C(C)(C)C)CCN1C ZINC000104136173 176288057 /nfs/dbraw/zinc/28/80/57/176288057.db2.gz KXLGGASCIDXVED-CYBMUJFWSA-N 1 3 241.423 1.791 10 0 BDAEHO C[C@@H]1CN(CCC[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000052764274 176289138 /nfs/dbraw/zinc/28/91/38/176289138.db2.gz KLZRNZMANCKQQR-UPJWGTAASA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@@H]1C[NH2+]CCCN(C[C@@H]2CCCO2)C1 ZINC000049662869 176323790 /nfs/dbraw/zinc/32/37/90/176323790.db2.gz BGRDTBHFVXRNGV-NEPJUHHUSA-N 1 3 212.337 1.097 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@@H](C)CN(CCc2ccccn2)C1 ZINC000049666563 176329359 /nfs/dbraw/zinc/32/93/59/176329359.db2.gz OOSLKUOTXNVDSL-ZIAGYGMSSA-N 1 3 247.386 1.802 10 0 BDAEHO C[C@H](C[NH3+])CN(C)CCc1ccccc1F ZINC000049819803 176658325 /nfs/dbraw/zinc/65/83/25/176658325.db2.gz VINAZAOPZRBRNY-LLVKDONJSA-N 1 3 224.323 1.895 10 0 BDAEHO C[C@H](O)C[C@H]1CCCN1CCC[NH+]1CCCC1 ZINC000160679784 177001838 /nfs/dbraw/zinc/00/18/38/177001838.db2.gz ISGKFNFWTNQDKX-UONOGXRCSA-N 1 3 240.391 1.708 10 0 BDAEHO C[C@H]1CN(C[C@@H](C[NH3+])c2ccccc2)CCN1C ZINC000070942704 177255234 /nfs/dbraw/zinc/25/52/34/177255234.db2.gz SODBZJJJCKKAED-DZGCQCFKSA-N 1 3 247.386 1.365 10 0 BDAEHO C[C@H]1CN(C[C@@H]2CCCCC[C@@H]2[NH3+])CCN1C ZINC000104143120 177257418 /nfs/dbraw/zinc/25/74/18/177257418.db2.gz RIXFDPNVBCYGLQ-IHRRRGAJSA-N 1 3 239.407 1.530 10 0 BDAEHO C[C@H]1C[C@H](C)C[NH+](C2(CN)CCN(C)CC2)C1 ZINC000019506690 177357683 /nfs/dbraw/zinc/35/76/83/177357683.db2.gz DTDOPTQJZFCQTQ-STQMWFEESA-N 1 3 239.407 1.387 10 0 BDAEHO COCC1(CN[C@@H](C)[C@H]2CC[NH2+]C2)CCC1 ZINC000400377290 226341937 /nfs/dbraw/zinc/34/19/37/226341937.db2.gz JBJDSSUPCDIZJQ-RYUDHWBXSA-N 1 3 226.364 1.391 10 0 BDAEHO Cc1cccnc1CCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000404961070 229241135 /nfs/dbraw/zinc/24/11/35/229241135.db2.gz VJINBZNOCLJREW-CHWSQXEVSA-N 1 3 233.359 1.520 10 0 BDAEHO CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCCNC2)C1(C)C ZINC000562958365 323035218 /nfs/dbraw/zinc/03/52/18/323035218.db2.gz CGUJUMQQLUUZJC-ZDEQEGDKSA-N 1 3 240.391 1.778 10 0 BDAEHO CO[C@@H]1C[C@H](N[C@@H](C)[C@H]2CCC[NH2+]C2)C1(C)C ZINC000562958365 323035219 /nfs/dbraw/zinc/03/52/19/323035219.db2.gz CGUJUMQQLUUZJC-ZDEQEGDKSA-N 1 3 240.391 1.778 10 0 BDAEHO C[C@H]([NH2+]C[C@]1(C)CCCO1)[C@@H]1CCCNC1 ZINC000570663830 323066338 /nfs/dbraw/zinc/06/63/38/323066338.db2.gz FNUGBPQFOBXPFL-XQQFMLRXSA-N 1 3 226.364 1.533 10 0 BDAEHO C[C@H](NC[C@]1(C)CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000570663830 323066339 /nfs/dbraw/zinc/06/63/39/323066339.db2.gz FNUGBPQFOBXPFL-XQQFMLRXSA-N 1 3 226.364 1.533 10 0 BDAEHO CN(C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000563434077 323125307 /nfs/dbraw/zinc/12/53/07/323125307.db2.gz UZNIWKDFHOQWIM-XJFOESAGSA-N 1 3 240.391 1.752 10 0 BDAEHO C[NH+](C)[C@H]1CCC[C@@H](N[C@@H]2CCCC[C@H]2O)C1 ZINC000563434077 323125308 /nfs/dbraw/zinc/12/53/08/323125308.db2.gz UZNIWKDFHOQWIM-XJFOESAGSA-N 1 3 240.391 1.752 10 0 BDAEHO C[C@H]([NH2+]CCCc1ccccn1)[C@@H]1CCCNC1 ZINC000571669337 323177041 /nfs/dbraw/zinc/17/70/41/323177041.db2.gz HQAOJHAJFIFDCO-UONOGXRCSA-N 1 3 247.386 1.992 10 0 BDAEHO C[C@H](NCCCc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000571669337 323177042 /nfs/dbraw/zinc/17/70/42/323177042.db2.gz HQAOJHAJFIFDCO-UONOGXRCSA-N 1 3 247.386 1.992 10 0 BDAEHO CCC[C@H](CCO)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000565769204 325953614 /nfs/dbraw/zinc/95/36/14/325953614.db2.gz QUPCGDVJTGLLLK-MCIONIFRSA-N 1 3 242.407 1.763 10 0 BDAEHO CCN(CC)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566089605 325993152 /nfs/dbraw/zinc/99/31/52/325993152.db2.gz VOOCMBUFWYKNQI-STQMWFEESA-N 1 3 227.396 1.306 10 0 BDAEHO CCC[C@H]1CCOC2(CCN(C)CC2)[NH2+]1 ZINC000757150528 582534952 /nfs/dbraw/zinc/53/49/52/582534952.db2.gz YTZJTYRBDPNLRG-NSHDSACASA-N 1 3 212.337 1.587 10 0 BDAEHO C[C@H](NCCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400444300 533873443 /nfs/dbraw/zinc/87/34/43/533873443.db2.gz PEMIAPLNVVDKOQ-GXTWGEPZSA-N 1 3 218.344 1.817 10 0 BDAEHO C[C@H](NC[C@@H]1CCCS1)[C@H]1CC[NH2+]C1 ZINC000400572023 533882081 /nfs/dbraw/zinc/88/20/81/533882081.db2.gz NYEYRNNRSLKPRV-DCAQKATOSA-N 1 3 214.378 1.470 10 0 BDAEHO C[C@H](NC[C@H]1CC[C@@H](C)O1)[C@H]1CC[NH2+]C1 ZINC000400422386 533909531 /nfs/dbraw/zinc/90/95/31/533909531.db2.gz XJIHDSXURSAFAA-NOOOWODRSA-N 1 3 212.337 1.142 10 0 BDAEHO CC(C)COCCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400722225 528095269 /nfs/dbraw/zinc/09/52/69/528095269.db2.gz OUPTWPGEWCXLBH-STQMWFEESA-N 1 3 228.380 1.637 10 0 BDAEHO CCN(CCN[C@H](C)[C@H]1CC[NH2+]C1)C1CC1 ZINC000400501620 528518427 /nfs/dbraw/zinc/51/84/27/528518427.db2.gz GWMPPTWFWQULMT-NEPJUHHUSA-N 1 3 225.380 1.058 10 0 BDAEHO CCOCC(C)(C)CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400769766 528568538 /nfs/dbraw/zinc/56/85/38/528568538.db2.gz ZVNWEWPGOCYCNS-VXGBXAGGSA-N 1 3 228.380 1.637 10 0 BDAEHO CCOCCC[N@@H+]1CCCC12CCNCC2 ZINC000757130930 582504839 /nfs/dbraw/zinc/50/48/39/582504839.db2.gz OOKVIXREZFHBPZ-UHFFFAOYSA-N 1 3 226.364 1.631 10 0 BDAEHO CCOCCC[N@H+]1CCCC12CCNCC2 ZINC000757130930 582504840 /nfs/dbraw/zinc/50/48/40/582504840.db2.gz OOKVIXREZFHBPZ-UHFFFAOYSA-N 1 3 226.364 1.631 10 0 BDAEHO CCN1CCC2(CC1)[NH2+]CC(C)(C)[C@@H](C)O2 ZINC000757141318 582521979 /nfs/dbraw/zinc/52/19/79/582521979.db2.gz AAMKAQYKPYPBEO-LLVKDONJSA-N 1 3 226.364 1.833 10 0 BDAEHO C[N@@H+]1CCC[C@@]2(CC1)N[C@H](C1CC1)CCO2 ZINC000757148935 582532758 /nfs/dbraw/zinc/53/27/58/582532758.db2.gz VXGAIEHOKOACTK-QWHCGFSZSA-N 1 3 224.348 1.587 10 0 BDAEHO C[N@H+]1CCC[C@@]2(CC1)N[C@H](C1CC1)CCO2 ZINC000757148935 582532760 /nfs/dbraw/zinc/53/27/60/582532760.db2.gz VXGAIEHOKOACTK-QWHCGFSZSA-N 1 3 224.348 1.587 10 0 BDAEHO CN1CCC[C@@]2(CC1)[NH2+][C@H](C1CC1)CCO2 ZINC000757148935 582532764 /nfs/dbraw/zinc/53/27/64/582532764.db2.gz VXGAIEHOKOACTK-QWHCGFSZSA-N 1 3 224.348 1.587 10 0 BDAEHO C[C@H]1C[C@H](C)CC2(C1)[NH2+]CCC1(CNC1)O2 ZINC000757150099 582533621 /nfs/dbraw/zinc/53/36/21/582533621.db2.gz PXTWPGUTRXITNH-QWRGUYRKSA-N 1 3 224.348 1.491 10 0 BDAEHO CCN1CCC2(CC1)[NH2+][C@H](C)CC(C)(C)O2 ZINC000757152817 582537670 /nfs/dbraw/zinc/53/76/70/582537670.db2.gz UDLXHHWOLZTTQK-LLVKDONJSA-N 1 3 226.364 1.975 10 0 BDAEHO C[C@@H]1C[C@H](C)[C@@H](CN)[C@@H](C2CCOCC2)[NH2+]1 ZINC000757209801 582559653 /nfs/dbraw/zinc/55/96/53/582559653.db2.gz GKLPKHSZCXIFDC-XKAARJIMSA-N 1 3 226.364 1.374 10 0 BDAEHO [NH3+][C@H]1CCNC[C@H]1c1cccc2cc[nH]c21 ZINC000757209022 586437972 /nfs/dbraw/zinc/43/79/72/586437972.db2.gz CZGFNQGGFRBQCS-RYUDHWBXSA-N 1 3 215.300 1.572 10 0 BDAEHO Cc1ccc(N)cc1[C@@H]1CC[C@@H](C[NH3+])NC1 ZINC000757229633 586443197 /nfs/dbraw/zinc/44/31/97/586443197.db2.gz FBHWSTKNSIIFRQ-PWSUYJOCSA-N 1 3 219.332 1.372 10 0 BDAEHO Cc1ccc(N)cc1[C@H]1CC[C@H](C[NH3+])CN1 ZINC000757235814 586443869 /nfs/dbraw/zinc/44/38/69/586443869.db2.gz MWODRRQIXXHZIW-ZWNOBZJWSA-N 1 3 219.332 1.577 10 0 BDAEHO CO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN(C)C)C12CCC2 ZINC000308361990 631306787 /nfs/dbraw/zinc/30/67/87/631306787.db2.gz HRKKHNVUDYPTBH-JHJVBQTASA-N 1 3 240.391 1.731 10 0 BDAEHO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000328556922 633776026 /nfs/dbraw/zinc/77/60/26/633776026.db2.gz AWWZANVYOIMZMF-JNPZLJMFSA-N 1 3 206.333 1.371 10 0 BDAEHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCCO1 ZINC000054601326 637035466 /nfs/dbraw/zinc/03/54/66/637035466.db2.gz XDAYPQQILBHGQY-WVMKXHBISA-N 1 3 224.348 1.510 10 0 BDAEHO CC[C@H](COC)N1CCC([NH3+])(CC)CC1 ZINC000714754342 712497822 /nfs/dbraw/zinc/49/78/22/712497822.db2.gz RVYPQJHPNSCROB-LLVKDONJSA-N 1 3 214.353 1.615 10 0 BDAEHO C[C@H](NC[C@H]1CC(C)(C)CO1)[C@H]1CC[NH2+]C1 ZINC000717613164 712662367 /nfs/dbraw/zinc/66/23/67/712662367.db2.gz ICADVLDTGLESLC-SDDRHHMPSA-N 1 3 226.364 1.389 10 0 BDAEHO c1cc(CCN[C@@H]2CCC[NH2+]CC2)sn1 ZINC000710024865 712241275 /nfs/dbraw/zinc/24/12/75/712241275.db2.gz BWXUMRCTWWGDDP-SNVBAGLBSA-N 1 3 225.361 1.417 10 0 BDAEHO C(NC1CC[NH2+]CC1)[C@@H]1CCC2(CCC2)CO1 ZINC000716595594 712564425 /nfs/dbraw/zinc/56/44/25/712564425.db2.gz SYEGXBLQOPMVOM-ZDUSSCGKSA-N 1 3 238.375 1.677 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@@H]1CCC2(CCC2)CO1 ZINC000716595594 712564426 /nfs/dbraw/zinc/56/44/26/712564426.db2.gz SYEGXBLQOPMVOM-ZDUSSCGKSA-N 1 3 238.375 1.677 10 0 BDAEHO C(NC1CC[NH2+]CC1)[C@H]1CCC2(CCC2)CO1 ZINC000716595589 712564434 /nfs/dbraw/zinc/56/44/34/712564434.db2.gz SYEGXBLQOPMVOM-CYBMUJFWSA-N 1 3 238.375 1.677 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@H]1CCC2(CCC2)CO1 ZINC000716595589 712564435 /nfs/dbraw/zinc/56/44/35/712564435.db2.gz SYEGXBLQOPMVOM-CYBMUJFWSA-N 1 3 238.375 1.677 10 0 BDAEHO C[C@H](NC[C@H]1CC(C)(C)CO1)[C@@H]1CC[NH2+]C1 ZINC000717613161 712662544 /nfs/dbraw/zinc/66/25/44/712662544.db2.gz ICADVLDTGLESLC-QJPTWQEYSA-N 1 3 226.364 1.389 10 0 BDAEHO CCC(CC)(C[NH3+])N(CCCOC)CCOC ZINC000042420941 168322657 /nfs/dbraw/zinc/32/26/57/168322657.db2.gz RUPFQEPVEQBNQI-UHFFFAOYSA-N 1 3 246.395 1.489 10 0 BDAEHO CCCCOCC[NH2+]C1CCNCC1 ZINC000040507005 344003616 /nfs/dbraw/zinc/00/36/16/344003616.db2.gz HOXUMIWTQMUEGB-UHFFFAOYSA-N 1 3 200.326 1.145 10 0 BDAEHO C[C@@H]1CC[C@H](CN2C[C@@H](C)[C@@H](C[NH3+])C2)O1 ZINC000634688398 343245941 /nfs/dbraw/zinc/24/59/41/343245941.db2.gz RAUAFXILIJPDJH-WISYIIOYSA-N 1 3 212.337 1.081 10 0 BDAEHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H](C)[C@@H](CN)C2)O1 ZINC000634688398 343245942 /nfs/dbraw/zinc/24/59/42/343245942.db2.gz RAUAFXILIJPDJH-WISYIIOYSA-N 1 3 212.337 1.081 10 0 BDAEHO C[C@@H]1CC[C@H](C[N@H+]2C[C@@H](C)[C@@H](CN)C2)O1 ZINC000634688398 343245943 /nfs/dbraw/zinc/24/59/43/343245943.db2.gz RAUAFXILIJPDJH-WISYIIOYSA-N 1 3 212.337 1.081 10 0 BDAEHO CCCN1CCN(c2ccccc2C[NH3+])CC1 ZINC000020075595 534935457 /nfs/dbraw/zinc/93/54/57/534935457.db2.gz ZSBKBCZGRRJQNT-UHFFFAOYSA-N 1 3 233.359 1.677 10 0 BDAEHO CC[NH+](CC)CCCNc1cc(N)nc(C)n1 ZINC000128522795 343787209 /nfs/dbraw/zinc/78/72/09/343787209.db2.gz SVMPBQKTNKOMMS-UHFFFAOYSA-N 1 3 237.351 1.511 10 0 BDAEHO CNc1cc(NC2CC[NH+](C)CC2)nc(C)n1 ZINC000129114258 343787610 /nfs/dbraw/zinc/78/76/10/343787610.db2.gz BVNWROSQJGMEDW-UHFFFAOYSA-N 1 3 235.335 1.333 10 0 BDAEHO NCCC[N@@H+]1CCOC[C@H]2CCCC[C@@H]21 ZINC000409427466 343801267 /nfs/dbraw/zinc/80/12/67/343801267.db2.gz FHHZJQYYWHYNNN-NEPJUHHUSA-N 1 3 212.337 1.226 10 0 BDAEHO NCCC[N@H+]1CCOC[C@H]2CCCC[C@@H]21 ZINC000409427466 343801268 /nfs/dbraw/zinc/80/12/68/343801268.db2.gz FHHZJQYYWHYNNN-NEPJUHHUSA-N 1 3 212.337 1.226 10 0 BDAEHO [NH3+]CCCN1CCOC[C@H]2CCCC[C@@H]21 ZINC000409427466 343801269 /nfs/dbraw/zinc/80/12/69/343801269.db2.gz FHHZJQYYWHYNNN-NEPJUHHUSA-N 1 3 212.337 1.226 10 0 BDAEHO COC[C@H]1C[N@H+](CCCN)CC12CCC2 ZINC000409435179 343832539 /nfs/dbraw/zinc/83/25/39/343832539.db2.gz STKOUFGJTMSEDW-LLVKDONJSA-N 1 3 212.337 1.084 10 0 BDAEHO COC[C@H]1C[N@@H+](CCCN)CC12CCC2 ZINC000409435179 343832540 /nfs/dbraw/zinc/83/25/40/343832540.db2.gz STKOUFGJTMSEDW-LLVKDONJSA-N 1 3 212.337 1.084 10 0 BDAEHO COC[C@@H]1C[N@H+](CCCN)CC12CCC2 ZINC000409435180 343832766 /nfs/dbraw/zinc/83/27/66/343832766.db2.gz STKOUFGJTMSEDW-NSHDSACASA-N 1 3 212.337 1.084 10 0 BDAEHO COC[C@@H]1C[N@@H+](CCCN)CC12CCC2 ZINC000409435180 343832769 /nfs/dbraw/zinc/83/27/69/343832769.db2.gz STKOUFGJTMSEDW-NSHDSACASA-N 1 3 212.337 1.084 10 0 BDAEHO COC[C@]12CCC[C@@H]1C[N@H+](CCCN)C2 ZINC000409436264 343838089 /nfs/dbraw/zinc/83/80/89/343838089.db2.gz YXFZTBPJGIGWEJ-VXGBXAGGSA-N 1 3 212.337 1.084 10 0 BDAEHO COC[C@]12CCC[C@@H]1C[N@@H+](CCCN)C2 ZINC000409436264 343838090 /nfs/dbraw/zinc/83/80/90/343838090.db2.gz YXFZTBPJGIGWEJ-VXGBXAGGSA-N 1 3 212.337 1.084 10 0 BDAEHO C1C[C@@H](N2CCNCC2)[C@@H]([NH+]2CCCCC2)C1 ZINC000409439335 343846914 /nfs/dbraw/zinc/84/69/14/343846914.db2.gz GTZPOEMCPAMOOL-UONOGXRCSA-N 1 3 237.391 1.299 10 0 BDAEHO [NH3+][C@H]1CC[C@H](NCc2ccnc(Cl)n2)CC1 ZINC000257353713 344106225 /nfs/dbraw/zinc/10/62/25/344106225.db2.gz SSPBJOOBDAZPHR-KYZUINATSA-N 1 3 240.738 1.490 10 0 BDAEHO N[C@H]1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000220689299 344567345 /nfs/dbraw/zinc/56/73/45/344567345.db2.gz LCEKUMGOIZRVDC-WCBMZHEXSA-N 1 3 200.351 1.351 10 0 BDAEHO C([NH2+][C@]12C[C@H]1CCCC2)[C@@H]1CCCNC1 ZINC000635001063 345202633 /nfs/dbraw/zinc/20/26/33/345202633.db2.gz DSMZJUGZWJAORX-JHJVBQTASA-N 1 3 208.349 1.908 10 0 BDAEHO CCC[C@H](CCO)[NH2+][C@H]1CCCNCC1 ZINC000635003027 345205297 /nfs/dbraw/zinc/20/52/97/345205297.db2.gz FBDFBXGNLQJUTD-NEPJUHHUSA-N 1 3 214.353 1.269 10 0 BDAEHO CCC[C@H](CCO)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000635004583 345207713 /nfs/dbraw/zinc/20/77/13/345207713.db2.gz PQYCPOACFDTEDR-FRRDWIJNSA-N 1 3 228.380 1.515 10 0 BDAEHO N[C@H](C[NH3+])C[C@H]1CCc2ccccc2C1 ZINC000169191854 345839067 /nfs/dbraw/zinc/83/90/67/345839067.db2.gz OVTZQVVSWMGEDH-GWCFXTLKSA-N 1 3 204.317 1.468 10 0 BDAEHO CC1CCN(Cc2cncc(C[NH3+])c2)CC1 ZINC000669379175 537975946 /nfs/dbraw/zinc/97/59/46/537975946.db2.gz VSRMNPPNMZCZCN-UHFFFAOYSA-N 1 3 219.332 1.772 10 0 BDAEHO COCCCN[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241369 537978903 /nfs/dbraw/zinc/97/89/03/537978903.db2.gz DXJJSZAFPLDZGD-VXGBXAGGSA-N 1 3 212.337 1.239 10 0 BDAEHO COCCCN[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000725241369 537978906 /nfs/dbraw/zinc/97/89/06/537978906.db2.gz DXJJSZAFPLDZGD-VXGBXAGGSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@@H]1CSCCN1CC1(C[NH3+])CCC1 ZINC000168550203 346737746 /nfs/dbraw/zinc/73/77/46/346737746.db2.gz ICTNEFRYIOQLAD-SNVBAGLBSA-N 1 3 214.378 1.553 10 0 BDAEHO C[C@@H]1CSCC[N@@H+]1CC1(CN)CCC1 ZINC000168550203 346737748 /nfs/dbraw/zinc/73/77/48/346737748.db2.gz ICTNEFRYIOQLAD-SNVBAGLBSA-N 1 3 214.378 1.553 10 0 BDAEHO C[C@@H]1CSCC[N@H+]1CC1(CN)CCC1 ZINC000168550203 346737749 /nfs/dbraw/zinc/73/77/49/346737749.db2.gz ICTNEFRYIOQLAD-SNVBAGLBSA-N 1 3 214.378 1.553 10 0 BDAEHO CN([C@H]1CCSC1)[C@H]1CCC[NH2+]CC1 ZINC000250382156 362801915 /nfs/dbraw/zinc/80/19/15/362801915.db2.gz JMICNBQGJDJURM-QWRGUYRKSA-N 1 3 214.378 1.566 10 0 BDAEHO C[N@H+]([C@H]1CCSC1)[C@H]1CCCNCC1 ZINC000250382156 362801919 /nfs/dbraw/zinc/80/19/19/362801919.db2.gz JMICNBQGJDJURM-QWRGUYRKSA-N 1 3 214.378 1.566 10 0 BDAEHO C[N@@H+]([C@H]1CCSC1)[C@H]1CCCNCC1 ZINC000250382156 362801925 /nfs/dbraw/zinc/80/19/25/362801925.db2.gz JMICNBQGJDJURM-QWRGUYRKSA-N 1 3 214.378 1.566 10 0 BDAEHO C[C@@H](CN[C@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000390644076 259396366 /nfs/dbraw/zinc/39/63/66/259396366.db2.gz LSBYSHRGHQETBZ-ZFWWWQNUSA-N 1 3 247.386 1.458 10 0 BDAEHO O[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250672088 538024246 /nfs/dbraw/zinc/02/42/46/538024246.db2.gz VEOJNDLOADDGJY-XDQVBPFNSA-N 1 3 238.375 1.506 10 0 BDAEHO O[C@@H]1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250672088 538024250 /nfs/dbraw/zinc/02/42/50/538024250.db2.gz VEOJNDLOADDGJY-XDQVBPFNSA-N 1 3 238.375 1.506 10 0 BDAEHO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000250672088 538024255 /nfs/dbraw/zinc/02/42/55/538024255.db2.gz VEOJNDLOADDGJY-XDQVBPFNSA-N 1 3 238.375 1.506 10 0 BDAEHO C[C@@H]([NH2+]CC1CC=CC1)[C@H]1CCCNC1 ZINC000530215897 323216976 /nfs/dbraw/zinc/21/69/76/323216976.db2.gz KBHWSSGOBSKIAR-YPMHNXCESA-N 1 3 208.349 1.930 10 0 BDAEHO C[C@H](N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000530225582 323218863 /nfs/dbraw/zinc/21/88/63/323218863.db2.gz OMRICHGTYBYXQR-XQZGEAEESA-N 1 3 240.391 1.776 10 0 BDAEHO C[C@H]([NH3+])CCN1C[C@@H](C)S[C@@H](C)C1 ZINC000226682446 350448382 /nfs/dbraw/zinc/44/83/82/350448382.db2.gz JEHUFOMHUTWEDH-LPEHRKFASA-N 1 3 202.367 1.550 10 0 BDAEHO CCN1CCN(C2(C(C)C)CC[NH2+]CC2)CC1 ZINC000725267283 538097731 /nfs/dbraw/zinc/09/77/31/538097731.db2.gz WEJBWZQCLRINHO-UHFFFAOYSA-N 1 3 239.407 1.402 10 0 BDAEHO CCN1CC[NH+](C2(C(C)C)CCNCC2)CC1 ZINC000725267283 538097733 /nfs/dbraw/zinc/09/77/33/538097733.db2.gz WEJBWZQCLRINHO-UHFFFAOYSA-N 1 3 239.407 1.402 10 0 BDAEHO C[C@H]1CSCCN1[C@H]1CCC[NH2+]CC1 ZINC000251891958 362980176 /nfs/dbraw/zinc/98/01/76/362980176.db2.gz VQSPBDVAJFBPSG-QWRGUYRKSA-N 1 3 214.378 1.566 10 0 BDAEHO C[C@H]1CSC[C@@H]1N1CCC([NH3+])CC1 ZINC000306675878 350827147 /nfs/dbraw/zinc/82/71/47/350827147.db2.gz UOLXGELMBXLQKQ-WPRPVWTQSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1CSCCN1[C@H]1CC[C@@H]([NH3+])C1 ZINC000251853373 350904612 /nfs/dbraw/zinc/90/46/12/350904612.db2.gz RSFROWGUWKGZOW-BBBLOLIVSA-N 1 3 200.351 1.304 10 0 BDAEHO C[N@H+](C1CCC1)[C@H]1CC2(CC[C@H]1N)OCCO2 ZINC000252979259 350918060 /nfs/dbraw/zinc/91/80/60/350918060.db2.gz HATBHBIKZPYZQK-NEPJUHHUSA-N 1 3 240.347 1.094 10 0 BDAEHO C[N@@H+](C1CCC1)[C@H]1CC2(CC[C@H]1N)OCCO2 ZINC000252979259 350918063 /nfs/dbraw/zinc/91/80/63/350918063.db2.gz HATBHBIKZPYZQK-NEPJUHHUSA-N 1 3 240.347 1.094 10 0 BDAEHO CC(C)(C)[N@@H+]1CCOCC[C@H]1CCN ZINC000616655796 351201394 /nfs/dbraw/zinc/20/13/94/351201394.db2.gz CIXXLJLSHFWOLT-SNVBAGLBSA-N 1 3 200.326 1.225 10 0 BDAEHO CC(C)(C)[N@H+]1CCOCC[C@H]1CCN ZINC000616655796 351201395 /nfs/dbraw/zinc/20/13/95/351201395.db2.gz CIXXLJLSHFWOLT-SNVBAGLBSA-N 1 3 200.326 1.225 10 0 BDAEHO CC(C)(C)N1CCOCC[C@H]1CC[NH3+] ZINC000616655796 351201400 /nfs/dbraw/zinc/20/14/00/351201400.db2.gz CIXXLJLSHFWOLT-SNVBAGLBSA-N 1 3 200.326 1.225 10 0 BDAEHO C[C@@H]1CSC[C@H]1[NH2+]C1CCNCC1 ZINC000307023936 351429551 /nfs/dbraw/zinc/42/95/51/351429551.db2.gz YHPZCTLTSCADRL-PSASIEDQSA-N 1 3 200.351 1.080 10 0 BDAEHO C[C@@H]1CSC[C@H]1NC1CC[NH2+]CC1 ZINC000307023936 351429556 /nfs/dbraw/zinc/42/95/56/351429556.db2.gz YHPZCTLTSCADRL-PSASIEDQSA-N 1 3 200.351 1.080 10 0 BDAEHO C[C@@H]1C[N@@H+]([C@H]2CCNC[C@@H]2C)CCS1 ZINC000307030336 351431439 /nfs/dbraw/zinc/43/14/39/351431439.db2.gz DNLWGMRFGHDXHV-AXFHLTTASA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@@H]1C[N@H+]([C@H]2CCNC[C@@H]2C)CCS1 ZINC000307030336 351431442 /nfs/dbraw/zinc/43/14/42/351431442.db2.gz DNLWGMRFGHDXHV-AXFHLTTASA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@@H]1SCC[C@@H]1N(C)C1CC([NH3+])C1 ZINC000307245275 351753343 /nfs/dbraw/zinc/75/33/43/351753343.db2.gz MBGQGVJQQGZIQM-NFTFJBJSSA-N 1 3 200.351 1.302 10 0 BDAEHO C[C@@H](NCCCNC(=O)OC(C)(C)C)[C@H](C)[NH3+] ZINC000307251551 351772214 /nfs/dbraw/zinc/77/22/14/351772214.db2.gz OFOKDSHRSIWMJV-VHSXEESVSA-N 1 3 245.367 1.227 10 0 BDAEHO C[C@@H]([NH3+])[C@H](C)NCCCNC(=O)OC(C)(C)C ZINC000307251552 351772435 /nfs/dbraw/zinc/77/24/35/351772435.db2.gz OFOKDSHRSIWMJV-ZJUUUORDSA-N 1 3 245.367 1.227 10 0 BDAEHO CC[NH2+][C@@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000638071002 351943871 /nfs/dbraw/zinc/94/38/71/351943871.db2.gz DBWUHZDXXVOUDE-NWDGAFQWSA-N 1 3 243.395 1.077 10 0 BDAEHO CCCCCCN1CCN(CCC[NH3+])CC1 ZINC000037037858 168662682 /nfs/dbraw/zinc/66/26/82/168662682.db2.gz RQIRVYLHBMYJGE-UHFFFAOYSA-N 1 3 227.396 1.533 10 0 BDAEHO N[C@H](CC[NH3+])Cc1cc(F)c(F)cc1F ZINC000725270930 538103145 /nfs/dbraw/zinc/10/31/45/538103145.db2.gz VUCUXQJKMUZLFB-SSDOTTSWSA-N 1 3 218.222 1.323 10 0 BDAEHO CC(C)N1CCN([C@H](C)CC[NH2+]C2CC2)CC1 ZINC000052480170 187782204 /nfs/dbraw/zinc/78/22/04/187782204.db2.gz OCHGWUJRSVQSCT-CYBMUJFWSA-N 1 3 239.407 1.543 10 0 BDAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000306165663 352986124 /nfs/dbraw/zinc/98/61/24/352986124.db2.gz VYGIQYDACBBYBB-BBBLOLIVSA-N 1 3 200.351 1.080 10 0 BDAEHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCSC1 ZINC000306165663 352986125 /nfs/dbraw/zinc/98/61/25/352986125.db2.gz VYGIQYDACBBYBB-BBBLOLIVSA-N 1 3 200.351 1.080 10 0 BDAEHO COc1ccc([C@H]2CNCC[C@@H]2[NH3+])cc1 ZINC000211544340 353719872 /nfs/dbraw/zinc/71/98/72/353719872.db2.gz OJFLHQIKOUJJIH-NEPJUHHUSA-N 1 3 206.289 1.099 10 0 BDAEHO COc1ccc([C@H]2C[NH2+]CC[C@@H]2N)cc1 ZINC000211544340 353719875 /nfs/dbraw/zinc/71/98/75/353719875.db2.gz OJFLHQIKOUJJIH-NEPJUHHUSA-N 1 3 206.289 1.099 10 0 BDAEHO NC(=[NH2+])CCCN1CCN(C2CCCC2)CC1 ZINC000052062012 181186599 /nfs/dbraw/zinc/18/65/99/181186599.db2.gz OKWZNVOYXIDETH-UHFFFAOYSA-N 1 3 238.379 1.263 10 0 BDAEHO CCN(C)C[C@@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059519 538484593 /nfs/dbraw/zinc/48/45/93/538484593.db2.gz QZXYOCUNPSAVKR-CQSZACIVSA-N 1 3 234.343 1.317 10 0 BDAEHO [NH3+][C@@H]1C=C(CCc2cccs2)CNC1 ZINC000675078199 538515119 /nfs/dbraw/zinc/51/51/19/538515119.db2.gz NJURCJJDJUIJGN-SNVBAGLBSA-N 1 3 208.330 1.538 10 0 BDAEHO COC1CCC(C2=C[C@H]([NH3+])CNC2)CC1 ZINC000675078488 538516186 /nfs/dbraw/zinc/51/61/86/538516186.db2.gz QBSWTOVRXYUKSZ-ZYXZCXLHSA-N 1 3 210.321 1.049 10 0 BDAEHO COCC1(C[NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000656200473 538785032 /nfs/dbraw/zinc/78/50/32/538785032.db2.gz NBIABZXUMDCAJO-NEPJUHHUSA-N 1 3 226.364 1.391 10 0 BDAEHO C[C@H](NCCc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC000582480703 357316828 /nfs/dbraw/zinc/31/68/28/357316828.db2.gz QRGBEMHHAOBOSG-JSGCOSHPSA-N 1 3 233.359 1.602 10 0 BDAEHO C[C@H]([NH2+]CCc1cccnc1)[C@H]1CCCNC1 ZINC000582480703 357316832 /nfs/dbraw/zinc/31/68/32/357316832.db2.gz QRGBEMHHAOBOSG-JSGCOSHPSA-N 1 3 233.359 1.602 10 0 BDAEHO [NH3+][C@@H]1C[C@@H](N2CCCCC2)C12CCOCC2 ZINC000685949317 538892630 /nfs/dbraw/zinc/89/26/30/538892630.db2.gz PBYBISMCTJFCAD-VXGBXAGGSA-N 1 3 224.348 1.369 10 0 BDAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000306165669 358974127 /nfs/dbraw/zinc/97/41/27/358974127.db2.gz VYGIQYDACBBYBB-UTLUCORTSA-N 1 3 200.351 1.080 10 0 BDAEHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCSC1 ZINC000306165669 358974128 /nfs/dbraw/zinc/97/41/28/358974128.db2.gz VYGIQYDACBBYBB-UTLUCORTSA-N 1 3 200.351 1.080 10 0 BDAEHO CS[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](CN)C1 ZINC000300393115 358987881 /nfs/dbraw/zinc/98/78/81/358987881.db2.gz WGHFUQMXIFQCRP-GMTAPVOTSA-N 1 3 214.378 1.551 10 0 BDAEHO CS[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](CN)C1 ZINC000300393115 358987883 /nfs/dbraw/zinc/98/78/83/358987883.db2.gz WGHFUQMXIFQCRP-GMTAPVOTSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@@H]1CNCC[C@H]1[N@@H+]1CCSC[C@H]1C ZINC000306532668 360392250 /nfs/dbraw/zinc/39/22/50/360392250.db2.gz BZMUPNAIEDWXFZ-GMTAPVOTSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@@H]1CNCC[C@H]1[N@H+]1CCSC[C@H]1C ZINC000306532668 360392252 /nfs/dbraw/zinc/39/22/52/360392252.db2.gz BZMUPNAIEDWXFZ-GMTAPVOTSA-N 1 3 214.378 1.422 10 0 BDAEHO C1NCC2=C1C[NH+](C1CCSCC1)C2 ZINC000306554739 360428001 /nfs/dbraw/zinc/42/80/01/360428001.db2.gz CBXJSJZKVMBVPV-UHFFFAOYSA-N 1 3 210.346 1.097 10 0 BDAEHO C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000629550539 361443272 /nfs/dbraw/zinc/44/32/72/361443272.db2.gz ZCDHDJWSMSSQET-BQUFFADESA-N 1 3 224.348 1.142 10 0 BDAEHO [NH3+]C1CCC(NCC(=O)c2ccc[nH]2)CC1 ZINC000095072131 181341409 /nfs/dbraw/zinc/34/14/09/181341409.db2.gz HRKRHXHZODRKNS-UHFFFAOYSA-N 1 3 221.304 1.057 10 0 BDAEHO [NH3+]C1CCN([C@H]2CCCSC2)CC1 ZINC000061590653 181344518 /nfs/dbraw/zinc/34/45/18/181344518.db2.gz XVKPKNHQOIHTNJ-JTQLQIEISA-N 1 3 200.351 1.305 10 0 BDAEHO CCCCN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630354780 364077849 /nfs/dbraw/zinc/07/78/49/364077849.db2.gz AYCMXHCWESRCDL-MNOVXSKESA-N 1 3 200.326 1.225 10 0 BDAEHO NCC1(C[N@@H+]2CCCC[C@@H]2CO)CCCC1 ZINC000051256742 181358653 /nfs/dbraw/zinc/35/86/53/181358653.db2.gz TZRTZRWBGWLNSW-GFCCVEGCSA-N 1 3 226.364 1.352 10 0 BDAEHO NCC1(C[N@H+]2CCCC[C@@H]2CO)CCCC1 ZINC000051256742 181358656 /nfs/dbraw/zinc/35/86/56/181358656.db2.gz TZRTZRWBGWLNSW-GFCCVEGCSA-N 1 3 226.364 1.352 10 0 BDAEHO CS[C@H](CO)[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000574392275 365050707 /nfs/dbraw/zinc/05/07/07/365050707.db2.gz LAWZFFDSOMYVQW-WRWGMCAJSA-N 1 3 246.420 1.077 10 0 BDAEHO CS[C@H](CO)[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000574392273 365050890 /nfs/dbraw/zinc/05/08/90/365050890.db2.gz LAWZFFDSOMYVQW-NNYUYHANSA-N 1 3 246.420 1.077 10 0 BDAEHO CCN1CCC[C@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000386017492 367898597 /nfs/dbraw/zinc/89/85/97/367898597.db2.gz NXMMKXIXEMSACB-IHRRRGAJSA-N 1 3 239.407 1.591 10 0 BDAEHO COCC1(C[NH2+][C@@H](C)[C@H]2CCCNC2)CCC1 ZINC000568974421 326384267 /nfs/dbraw/zinc/38/42/67/326384267.db2.gz QOPUXISGBUCZHX-STQMWFEESA-N 1 3 240.391 1.781 10 0 BDAEHO C[C@H](CO)CN(CCC[NH3+])Cc1ccccc1 ZINC000230030930 371637871 /nfs/dbraw/zinc/63/78/71/371637871.db2.gz RTSBJNNOTCUGRS-ZDUSSCGKSA-N 1 3 236.359 1.466 10 0 BDAEHO C[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1CN ZINC000631836888 372624714 /nfs/dbraw/zinc/62/47/14/372624714.db2.gz IPJVBNVXVQCSHA-OCCSQVGLSA-N 1 3 218.344 1.756 10 0 BDAEHO C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1CN ZINC000631836888 372624723 /nfs/dbraw/zinc/62/47/23/372624723.db2.gz IPJVBNVXVQCSHA-OCCSQVGLSA-N 1 3 218.344 1.756 10 0 BDAEHO C[C@@H]1CN(CCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631836888 372624733 /nfs/dbraw/zinc/62/47/33/372624733.db2.gz IPJVBNVXVQCSHA-OCCSQVGLSA-N 1 3 218.344 1.756 10 0 BDAEHO CCCCOCCN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842240 372641615 /nfs/dbraw/zinc/64/16/15/372641615.db2.gz XKSLLMTXYADUND-RYUDHWBXSA-N 1 3 214.353 1.330 10 0 BDAEHO CCCC[C@H](N)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000049221285 169006895 /nfs/dbraw/zinc/00/68/95/169006895.db2.gz DQCUHDNLIKWSDJ-NWDGAFQWSA-N 1 3 243.395 1.206 10 0 BDAEHO O[C@@H](CN[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128943888 183181199 /nfs/dbraw/zinc/18/11/99/183181199.db2.gz OFOYHEZLQGIHIM-KGLIPLIRSA-N 1 3 234.343 1.452 10 0 BDAEHO CCCN(CCN(C)C)[C@H](C[NH3+])c1ccoc1 ZINC000063047945 169158582 /nfs/dbraw/zinc/15/85/82/169158582.db2.gz HYDXXOBTDRVFBN-CYBMUJFWSA-N 1 3 239.363 1.553 10 0 BDAEHO CCCN1CCN(C[C@@H]2CCC[C@H]2[NH2+]C)CC1 ZINC000053860723 169203112 /nfs/dbraw/zinc/20/31/12/169203112.db2.gz IZPDYOCLQMCIQE-UONOGXRCSA-N 1 3 239.407 1.402 10 0 BDAEHO CCCN1CCN(CC2(C[NH3+])CCCC2)CC1 ZINC000051207456 169203178 /nfs/dbraw/zinc/20/31/78/169203178.db2.gz UEOIUZZEMAWMOB-UHFFFAOYSA-N 1 3 239.407 1.533 10 0 BDAEHO CCCN1CCN([C@H](C[NH3+])C(CC)CC)CC1 ZINC000022215892 169203801 /nfs/dbraw/zinc/20/38/01/169203801.db2.gz VDSTXAVUTBLDSA-CQSZACIVSA-N 1 3 241.423 1.778 10 0 BDAEHO CCC[NH2+]C[C@H]1CCN([C@@H](C)[C@@H]2CCCO2)C1 ZINC000053031167 169264925 /nfs/dbraw/zinc/26/49/25/169264925.db2.gz VODDZMXKMMNWLM-MJBXVCDLSA-N 1 3 240.391 1.875 10 0 BDAEHO CCC[C@@H](C)[NH2+]CCN(C)[C@@H]1CCCN(C)C1 ZINC000053388477 169370165 /nfs/dbraw/zinc/37/01/65/169370165.db2.gz AHPBGLVBJCLCQO-ZIAGYGMSSA-N 1 3 241.423 1.791 10 0 BDAEHO O=C(CNCC1CC[NH2+]CC1)c1ccco1 ZINC000095072816 384344757 /nfs/dbraw/zinc/34/47/57/384344757.db2.gz MBKPWVNNJNUPPD-UHFFFAOYSA-N 1 3 222.288 1.052 10 0 BDAEHO C[C@H](N[C@H]1CSC1(C)C)[C@H]1CC[NH2+]C1 ZINC000306574755 384782239 /nfs/dbraw/zinc/78/22/39/384782239.db2.gz IOLXXFCIYCGRPR-GUBZILKMSA-N 1 3 214.378 1.468 10 0 BDAEHO C([C@@H]1CC[NH2+]C1)N1CCCSCC1 ZINC000051890058 386577144 /nfs/dbraw/zinc/57/71/44/386577144.db2.gz RTBHXZRKTIKJTA-SNVBAGLBSA-N 1 3 200.351 1.035 10 0 BDAEHO C[C@H](NC[C@H]1CCCS1)[C@@H]1CC[NH2+]C1 ZINC000400572027 387129338 /nfs/dbraw/zinc/12/93/38/387129338.db2.gz NYEYRNNRSLKPRV-HBNTYKKESA-N 1 3 214.378 1.470 10 0 BDAEHO CC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000571908580 387189584 /nfs/dbraw/zinc/18/95/84/387189584.db2.gz CMBBDFJLRVEZIL-SDDRHHMPSA-N 1 3 214.353 1.125 10 0 BDAEHO N[C@@H](CCC[NH3+])c1cc(F)cc(F)c1F ZINC000575440397 387133475 /nfs/dbraw/zinc/13/34/75/387133475.db2.gz SHASXDLROCLUOC-VIFPVBQESA-N 1 3 218.222 1.843 10 0 BDAEHO C[C@H]1C[C@H]([NH3+])CN1C1CCSCC1 ZINC000575593155 387221285 /nfs/dbraw/zinc/22/12/85/387221285.db2.gz YAVSAZNDESEZTJ-IUCAKERBSA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@H]1CCCNC1 ZINC000643456029 387494221 /nfs/dbraw/zinc/49/42/21/387494221.db2.gz UXFAKPYKRWELRY-WUHRBBMRSA-N 1 3 226.364 1.268 10 0 BDAEHO C[C@@H](NCCN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643459132 387832914 /nfs/dbraw/zinc/83/29/14/387832914.db2.gz BCVANIZKEUJYAX-ZIAGYGMSSA-N 1 3 239.407 1.450 10 0 BDAEHO COC[C@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261527671 135152006 /nfs/dbraw/zinc/15/20/06/135152006.db2.gz FPYSCQJXVUOPEQ-VHSXEESVSA-N 1 3 200.326 1.081 10 0 BDAEHO COC[C@H](C)[N@@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000261527671 135152008 /nfs/dbraw/zinc/15/20/08/135152008.db2.gz FPYSCQJXVUOPEQ-VHSXEESVSA-N 1 3 200.326 1.081 10 0 BDAEHO COC[C@H](C)[N@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000261527671 135152009 /nfs/dbraw/zinc/15/20/09/135152009.db2.gz FPYSCQJXVUOPEQ-VHSXEESVSA-N 1 3 200.326 1.081 10 0 BDAEHO C[NH+](C)CCCNCCc1cccs1 ZINC000082602196 388124560 /nfs/dbraw/zinc/12/45/60/388124560.db2.gz GVRCAZDRHYQROM-UHFFFAOYSA-N 1 3 212.362 1.832 10 0 BDAEHO CC(C)(C)C[C@H](CO)N[C@@H]1CCC[NH2+]CC1 ZINC000393481042 388431435 /nfs/dbraw/zinc/43/14/35/388431435.db2.gz VBECSFHULZNLKD-VXGBXAGGSA-N 1 3 228.380 1.515 10 0 BDAEHO CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CCCNCC1 ZINC000393481042 388431438 /nfs/dbraw/zinc/43/14/38/388431438.db2.gz VBECSFHULZNLKD-VXGBXAGGSA-N 1 3 228.380 1.515 10 0 BDAEHO Cc1cccnc1CCN[C@@H]1CCC[NH2+]CC1 ZINC000404816214 388435327 /nfs/dbraw/zinc/43/53/27/388435327.db2.gz CCHDEJNDIXQJOT-CYBMUJFWSA-N 1 3 233.359 1.664 10 0 BDAEHO C[C@H](N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000530224844 388634051 /nfs/dbraw/zinc/63/40/51/388634051.db2.gz MQHYSVZIJPECBY-NURVWSNCSA-N 1 3 226.364 1.386 10 0 BDAEHO Cc1cccc(CCN[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000564714131 388886296 /nfs/dbraw/zinc/88/62/96/388886296.db2.gz VRPTVORUFPEGSU-ZIAGYGMSSA-N 1 3 247.386 1.910 10 0 BDAEHO CC(C)[C@](C)(O)CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000565533641 388950909 /nfs/dbraw/zinc/95/09/09/388950909.db2.gz GDGRKGJZHOESNI-RWMBFGLXSA-N 1 3 228.380 1.371 10 0 BDAEHO CC(C)[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000565533641 388950905 /nfs/dbraw/zinc/95/09/05/388950905.db2.gz GDGRKGJZHOESNI-RWMBFGLXSA-N 1 3 228.380 1.371 10 0 BDAEHO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CCCNC1 ZINC000566088887 388986314 /nfs/dbraw/zinc/98/63/14/388986314.db2.gz GRELXANPIOKREB-WYUUTHIRSA-N 1 3 228.405 1.858 10 0 BDAEHO C[C@@H](N[C@@H]1CS[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000566088887 388986316 /nfs/dbraw/zinc/98/63/16/388986316.db2.gz GRELXANPIOKREB-WYUUTHIRSA-N 1 3 228.405 1.858 10 0 BDAEHO COc1ccc(CCN[C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400332648 533498713 /nfs/dbraw/zinc/49/87/13/533498713.db2.gz FERAYDFBSGGPIR-JSGCOSHPSA-N 1 3 248.370 1.825 10 0 BDAEHO Nc1c[nH+]ccc1N1CCN(CC2CC2)CC1 ZINC000036765458 132342557 /nfs/dbraw/zinc/34/25/57/132342557.db2.gz HWCJTWJWECJXQW-UHFFFAOYSA-N 1 3 232.331 1.196 10 0 BDAEHO CC[C@H](CC[NH3+])N1CCN(c2ccncc2)CC1 ZINC000037039548 132343455 /nfs/dbraw/zinc/34/34/55/132343455.db2.gz FCHQKSMTMPIEND-CYBMUJFWSA-N 1 3 248.374 1.331 10 0 BDAEHO C[C@H](O)CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000251254687 135066993 /nfs/dbraw/zinc/06/69/93/135066993.db2.gz VAPPPIZMCHURJU-REWJHTLYSA-N 1 3 240.391 1.658 10 0 BDAEHO C[C@@H]1C[N@H+](CCCN2CCCC2)CC[C@H]1O ZINC000251674935 135073058 /nfs/dbraw/zinc/07/30/58/135073058.db2.gz MKSBXXWBJIAJLR-CHWSQXEVSA-N 1 3 226.364 1.175 10 0 BDAEHO C[C@@H]1C[N@@H+](CCCN2CCCC2)CC[C@H]1O ZINC000251674935 135073059 /nfs/dbraw/zinc/07/30/59/135073059.db2.gz MKSBXXWBJIAJLR-CHWSQXEVSA-N 1 3 226.364 1.175 10 0 BDAEHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCO ZINC000086500698 135087237 /nfs/dbraw/zinc/08/72/37/135087237.db2.gz QBIBFCGVAPHWCB-RYUDHWBXSA-N 1 3 214.353 1.269 10 0 BDAEHO CC1(C)CCC(NC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000262181442 135284473 /nfs/dbraw/zinc/28/44/73/135284473.db2.gz WVHWGTSEEHEPBB-JQWIXIFHSA-N 1 3 226.364 1.125 10 0 BDAEHO CC1(C)CCC([NH2+]C[C@@H]2CNC[C@@H]2O)CC1 ZINC000262181442 135284474 /nfs/dbraw/zinc/28/44/74/135284474.db2.gz WVHWGTSEEHEPBB-JQWIXIFHSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CNC[C@@H]2O)CC(C)(C)C1 ZINC000263312041 135345720 /nfs/dbraw/zinc/34/57/20/135345720.db2.gz YVMOPWRXFCUICC-NDBYEHHHSA-N 1 3 240.391 1.371 10 0 BDAEHO C[C@@H]1C[C@H](NC[C@H]2C[NH2+]C[C@@H]2O)CC(C)(C)C1 ZINC000263312041 135345722 /nfs/dbraw/zinc/34/57/22/135345722.db2.gz YVMOPWRXFCUICC-NDBYEHHHSA-N 1 3 240.391 1.371 10 0 BDAEHO C[C@@H]1C[C@@H](O)CN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000401640206 533673252 /nfs/dbraw/zinc/67/32/52/533673252.db2.gz DVYVADPMXFUNEL-MGPQQGTHSA-N 1 3 240.391 1.564 10 0 BDAEHO C[C@@H]1C[C@@H](O)CN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000401640206 533673260 /nfs/dbraw/zinc/67/32/60/533673260.db2.gz DVYVADPMXFUNEL-MGPQQGTHSA-N 1 3 240.391 1.564 10 0 BDAEHO C[C@@]1(CN)CC[N@@H+]([C@H]2CCSC2)C1 ZINC000307134796 397986697 /nfs/dbraw/zinc/98/66/97/397986697.db2.gz AJVFEOYLVBFUJG-UWVGGRQHSA-N 1 3 200.351 1.163 10 0 BDAEHO C[C@@]1(CN)CC[N@H+]([C@H]2CCSC2)C1 ZINC000307134796 397986699 /nfs/dbraw/zinc/98/66/99/397986699.db2.gz AJVFEOYLVBFUJG-UWVGGRQHSA-N 1 3 200.351 1.163 10 0 BDAEHO CCCN1CCOc2ccc(C[NH3+])cc2C1 ZINC000409423499 398085279 /nfs/dbraw/zinc/08/52/79/398085279.db2.gz SAEUXVSGOKPBSK-UHFFFAOYSA-N 1 3 220.316 1.750 10 0 BDAEHO CC(C)C[NH2+]CCCOC1CCN(C)CC1 ZINC000052596597 167003560 /nfs/dbraw/zinc/00/35/60/167003560.db2.gz FBQGNFBMUVYLSE-UHFFFAOYSA-N 1 3 228.380 1.733 10 0 BDAEHO COCC[NH2+]CCCN1CCCC[C@@H]1C ZINC000020047928 174332266 /nfs/dbraw/zinc/33/22/66/174332266.db2.gz QLAJUIWPUUGMPE-LBPRGKRZSA-N 1 3 214.353 1.487 10 0 BDAEHO CCOc1ccc(CNCC[C@@H](C)[NH3+])cc1 ZINC000258648387 322875735 /nfs/dbraw/zinc/87/57/35/322875735.db2.gz AJXVZJVQDJXSOZ-LLVKDONJSA-N 1 3 222.332 1.912 10 0 BDAEHO CC(C)[NH2+]C[C@H](C)CN(C)[C@@H]1CCCN(C)C1 ZINC000053249970 167113439 /nfs/dbraw/zinc/11/34/39/167113439.db2.gz YWUUDWDHGFYYIB-UONOGXRCSA-N 1 3 241.423 1.647 10 0 BDAEHO CCN1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000336906991 170023027 /nfs/dbraw/zinc/02/30/27/170023027.db2.gz YKYGDMAGLMJXMK-RDBSUJKOSA-N 1 3 237.391 1.297 10 0 BDAEHO CCN1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000336906991 170023028 /nfs/dbraw/zinc/02/30/28/170023028.db2.gz YKYGDMAGLMJXMK-RDBSUJKOSA-N 1 3 237.391 1.297 10 0 BDAEHO CC[NH2+][C@@H](C)[C@H]1CCCN(CCCCCO)C1 ZINC000104421651 170140795 /nfs/dbraw/zinc/14/07/95/170140795.db2.gz SRNDDVQFKZQCJQ-KBPBESRZSA-N 1 3 242.407 1.859 10 0 BDAEHO CC[NH2+][C@H](CC)[C@H](C)N1CCC[C@@H]1CN(C)C ZINC000061643572 170161155 /nfs/dbraw/zinc/16/11/55/170161155.db2.gz HBYCKMVNIFEMRE-BFHYXJOUSA-N 1 3 241.423 1.789 10 0 BDAEHO CC[NH2+][C@H]1CCN(C2CCOCC2)[C@H](C)C1 ZINC000049711433 170166679 /nfs/dbraw/zinc/16/66/79/170166679.db2.gz KYHZMSQTLNOAJF-NEPJUHHUSA-N 1 3 226.364 1.628 10 0 BDAEHO CCN[C@H]1CC[N@@H+](C2CCOCC2)[C@H](C)C1 ZINC000049711433 170166681 /nfs/dbraw/zinc/16/66/81/170166681.db2.gz KYHZMSQTLNOAJF-NEPJUHHUSA-N 1 3 226.364 1.628 10 0 BDAEHO CCN[C@H]1CC[N@H+](C2CCOCC2)[C@H](C)C1 ZINC000049711433 170166683 /nfs/dbraw/zinc/16/66/83/170166683.db2.gz KYHZMSQTLNOAJF-NEPJUHHUSA-N 1 3 226.364 1.628 10 0 BDAEHO CC[NH2+][C@H]1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000049710896 170167102 /nfs/dbraw/zinc/16/71/02/170167102.db2.gz RMCOILBLNHRYKD-OLZOCXBDSA-N 1 3 239.407 1.543 10 0 BDAEHO CC[NH2+][C@H]1CCN([C@@H]2CCCN(C)C2)C[C@@H]1C ZINC000049713210 170167858 /nfs/dbraw/zinc/16/78/58/170167858.db2.gz DUHQFKYHYWRUCF-MJBXVCDLSA-N 1 3 239.407 1.401 10 0 BDAEHO CCOCCN(C)Cc1cccc(C[NH3+])c1 ZINC000035358882 170390519 /nfs/dbraw/zinc/39/05/19/170390519.db2.gz PUCFXLNKXKOHOJ-UHFFFAOYSA-N 1 3 222.332 1.614 10 0 BDAEHO CC[C@H](C)N1CCN(CCCC[C@@H](C)[NH3+])CC1 ZINC000055065161 171319563 /nfs/dbraw/zinc/31/95/63/171319563.db2.gz SCOHUFRNHAKTAM-KGLIPLIRSA-N 1 3 241.423 1.920 10 0 BDAEHO FC1(F)C[C@@H]1OCCN[C@H]1CCC[NH2+]CC1 ZINC000665244894 412189909 /nfs/dbraw/zinc/18/99/09/412189909.db2.gz ZAIKLHWKZQWXDD-UWVGGRQHSA-N 1 3 234.290 1.142 10 0 BDAEHO C[C@H](NC[C@]1(C)CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000665267148 412210299 /nfs/dbraw/zinc/21/02/99/412210299.db2.gz QMVZDJWJQWLPEC-GUBZILKMSA-N 1 3 218.291 1.619 10 0 BDAEHO CO[C@H](CNC1CC[NH2+]CC1)C1CCCC1 ZINC000665275695 412219639 /nfs/dbraw/zinc/21/96/39/412219639.db2.gz PIQGQTNERSDZNK-CYBMUJFWSA-N 1 3 226.364 1.533 10 0 BDAEHO CO[C@H](C[NH2+]C1CCNCC1)C1CCCC1 ZINC000665275695 412219642 /nfs/dbraw/zinc/21/96/42/412219642.db2.gz PIQGQTNERSDZNK-CYBMUJFWSA-N 1 3 226.364 1.533 10 0 BDAEHO CCc1nc(CCN(C)C)sc1C[NH2+]C ZINC000082425744 171969546 /nfs/dbraw/zinc/96/95/46/171969546.db2.gz VOFWMWCNUVWBSD-UHFFFAOYSA-N 1 3 227.377 1.529 10 0 BDAEHO CN(C1CCN(C)CC1)[C@H]1CCCC[NH2+]C1 ZINC000054134865 172987978 /nfs/dbraw/zinc/98/79/78/172987978.db2.gz KGKCEFOZPCZNEL-ZDUSSCGKSA-N 1 3 225.380 1.155 10 0 BDAEHO CN1CCCN(C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000060743602 173014157 /nfs/dbraw/zinc/01/41/57/173014157.db2.gz QNLCPMOUKVEHJL-STQMWFEESA-N 1 3 225.380 1.141 10 0 BDAEHO CN1CCCN(CC[NH2+]C(C)(C)C)CC1 ZINC000044380550 173014640 /nfs/dbraw/zinc/01/46/40/173014640.db2.gz CUMJKFAJFMRXAN-UHFFFAOYSA-N 1 3 213.369 1.012 10 0 BDAEHO CN1CCCN([C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000020260672 173017810 /nfs/dbraw/zinc/01/78/10/173017810.db2.gz QFTKPPAUXJAFCN-QWHCGFSZSA-N 1 3 225.380 1.284 10 0 BDAEHO CN1CCC[N@@H+]([C@@H]2CCCCC[C@@H]2N)CC1 ZINC000020260672 173017811 /nfs/dbraw/zinc/01/78/11/173017811.db2.gz QFTKPPAUXJAFCN-QWHCGFSZSA-N 1 3 225.380 1.284 10 0 BDAEHO CN1CCC[N@H+]([C@@H]2CCCCC[C@@H]2N)CC1 ZINC000020260672 173017812 /nfs/dbraw/zinc/01/78/12/173017812.db2.gz QFTKPPAUXJAFCN-QWHCGFSZSA-N 1 3 225.380 1.284 10 0 BDAEHO CN1CC[C@@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000037484566 173115180 /nfs/dbraw/zinc/11/51/80/173115180.db2.gz WFTUPLAJVRRIOH-LBPRGKRZSA-N 1 3 220.316 1.434 10 0 BDAEHO CN(Cc1ccsc1)[C@]1(CN)CC[N@H+](C)C1 ZINC000061990246 173136378 /nfs/dbraw/zinc/13/63/78/173136378.db2.gz IJIIJJLXXSDULZ-LBPRGKRZSA-N 1 3 239.388 1.213 10 0 BDAEHO CN(Cc1ccsc1)[C@]1(CN)CC[N@@H+](C)C1 ZINC000061990246 173136381 /nfs/dbraw/zinc/13/63/81/173136381.db2.gz IJIIJJLXXSDULZ-LBPRGKRZSA-N 1 3 239.388 1.213 10 0 BDAEHO C[NH2+]CCCO[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702353 173349726 /nfs/dbraw/zinc/34/97/26/173349726.db2.gz XNNRPLQEEOVHLH-HNNXBMFYSA-N 1 3 248.370 1.887 10 0 BDAEHO CNCC[C@H](C)[N@H+]1CCCSCC1 ZINC000052371050 173358160 /nfs/dbraw/zinc/35/81/60/173358160.db2.gz KUYZSONRUFZQGB-JTQLQIEISA-N 1 3 202.367 1.423 10 0 BDAEHO CNCC[C@H](C)[N@@H+]1CCCSCC1 ZINC000052371050 173358159 /nfs/dbraw/zinc/35/81/59/173358159.db2.gz KUYZSONRUFZQGB-JTQLQIEISA-N 1 3 202.367 1.423 10 0 BDAEHO C[NH2+]CC[C@H](C)N1CCCSCC1 ZINC000052371050 173358158 /nfs/dbraw/zinc/35/81/58/173358158.db2.gz KUYZSONRUFZQGB-JTQLQIEISA-N 1 3 202.367 1.423 10 0 BDAEHO C[NH2+]C[C@@H](C)N1CCN(C2CCCC2)CC1 ZINC000052573446 173365118 /nfs/dbraw/zinc/36/51/18/173365118.db2.gz RWKWEMIDKFOEOU-GFCCVEGCSA-N 1 3 225.380 1.155 10 0 BDAEHO C[NH2+]Cc1cc(CN(C)CCCOC)oc1C ZINC000062036030 173387327 /nfs/dbraw/zinc/38/73/27/173387327.db2.gz DZFKVHNGTOXJSO-UHFFFAOYSA-N 1 3 240.347 1.776 10 0 BDAEHO COC1CC[NH+]([C@@H]2CCCC[C@H]2CN)CC1 ZINC000037265717 174030282 /nfs/dbraw/zinc/03/02/82/174030282.db2.gz RJRVJLOHYBBLAW-WCQYABFASA-N 1 3 226.364 1.615 10 0 BDAEHO COCC[NH2+]CCCCN1C[C@@H](C)OC[C@H]1C ZINC000053499146 174331938 /nfs/dbraw/zinc/33/19/38/174331938.db2.gz SDDAPVXULRITRW-CHWSQXEVSA-N 1 3 244.379 1.112 10 0 BDAEHO COCC[C@@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000160684918 174385102 /nfs/dbraw/zinc/38/51/02/174385102.db2.gz SJMJJQHHCJUTCY-GHMZBOCLSA-N 1 3 200.326 1.143 10 0 BDAEHO COc1ccc(C[NH3+])cc1CN1CCCC1 ZINC000022200881 175097460 /nfs/dbraw/zinc/09/74/60/175097460.db2.gz UPKSTFWDDPXIGX-UHFFFAOYSA-N 1 3 220.316 1.750 10 0 BDAEHO C[C@@H]1CCC[N@@H+](C2(CN)CCN(C)CC2)C1 ZINC000019432842 176097114 /nfs/dbraw/zinc/09/71/14/176097114.db2.gz WGDUDZSNTQBJPO-GFCCVEGCSA-N 1 3 225.380 1.141 10 0 BDAEHO C[C@@H]1CCC[N@H+](C2(CN)CCN(C)CC2)C1 ZINC000019432842 176097115 /nfs/dbraw/zinc/09/71/15/176097115.db2.gz WGDUDZSNTQBJPO-GFCCVEGCSA-N 1 3 225.380 1.141 10 0 BDAEHO C[C@@H]1CCN(C[C@@H]2CCCCN2C)CC[NH2+]1 ZINC000044564217 176172471 /nfs/dbraw/zinc/17/24/71/176172471.db2.gz GUNQDNZNWGKPPE-OLZOCXBDSA-N 1 3 225.380 1.155 10 0 BDAEHO C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)CCCN1 ZINC000061148135 176172985 /nfs/dbraw/zinc/17/29/85/176172985.db2.gz HIPDKSQRJLGBOO-NEPJUHHUSA-N 1 3 212.337 1.097 10 0 BDAEHO C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)CCCN1 ZINC000061148135 176172986 /nfs/dbraw/zinc/17/29/86/176172986.db2.gz HIPDKSQRJLGBOO-NEPJUHHUSA-N 1 3 212.337 1.097 10 0 BDAEHO C[C@@H]1CN(Cc2ccc(C(N)=[NH2+])cc2)CCCO1 ZINC000061918970 176302521 /nfs/dbraw/zinc/30/25/21/176302521.db2.gz OGVGMAMGBUXIAV-LLVKDONJSA-N 1 3 247.342 1.581 10 0 BDAEHO C[C@@H]1CNC[C@@H](C)C[NH+](CC2CCC2)C1 ZINC000049665875 176328509 /nfs/dbraw/zinc/32/85/09/176328509.db2.gz VVPVEPLPDAWCHH-VXGBXAGGSA-N 1 3 210.365 1.964 10 0 BDAEHO C[C@H]1CCC[C@@H]([NH2+]CCN(C)CCN(C)C)C1 ZINC000104202166 177123361 /nfs/dbraw/zinc/12/33/61/177123361.db2.gz NZXJDYRKXTUFOD-UONOGXRCSA-N 1 3 241.423 1.648 10 0 BDAEHO C[C@H]1CN(CCCC[NH2+]C(C)(C)C)CCN1C ZINC000104136177 177248063 /nfs/dbraw/zinc/24/80/63/177248063.db2.gz KXLGGASCIDXVED-ZDUSSCGKSA-N 1 3 241.423 1.791 10 0 BDAEHO C[C@H]1CNCCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000044510703 177281783 /nfs/dbraw/zinc/28/17/83/177281783.db2.gz JGHTZZBLORDYRR-STQMWFEESA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@H]1CNCCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000044510703 177281784 /nfs/dbraw/zinc/28/17/84/177281784.db2.gz JGHTZZBLORDYRR-STQMWFEESA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@H]1C[NH2+]CCCN(CC[C@@H]2CCCO2)C1 ZINC000044510703 177281786 /nfs/dbraw/zinc/28/17/86/177281786.db2.gz JGHTZZBLORDYRR-STQMWFEESA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@@H]1CN(CCN2CCCCC2)[C@@H](C)C[NH2+]1 ZINC000062611951 177286766 /nfs/dbraw/zinc/28/67/66/177286766.db2.gz WNPCFADLLSTMQP-OLZOCXBDSA-N 1 3 225.380 1.155 10 0 BDAEHO C[C@H]1C[C@H](NC2CC(F)(F)C2)CC[N@@H+]1C ZINC000309145449 177368260 /nfs/dbraw/zinc/36/82/60/177368260.db2.gz VCFSNICJBHDXQK-DTWKUNHWSA-N 1 3 218.291 1.856 10 0 BDAEHO C[C@H]1C[C@H](NC2CC(F)(F)C2)CC[N@H+]1C ZINC000309145449 177368262 /nfs/dbraw/zinc/36/82/62/177368262.db2.gz VCFSNICJBHDXQK-DTWKUNHWSA-N 1 3 218.291 1.856 10 0 BDAEHO C[C@H](N[C@@H]1CC12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000400334371 226340973 /nfs/dbraw/zinc/34/09/73/226340973.db2.gz FQOAJWVWBPRZBP-QJPTWQEYSA-N 1 3 208.349 1.907 10 0 BDAEHO C[C@H](N[C@H]1CC12CCCC2)[C@H]1CC[NH2+]C1 ZINC000400334376 226340989 /nfs/dbraw/zinc/34/09/89/226340989.db2.gz FQOAJWVWBPRZBP-SRVKXCTJSA-N 1 3 208.349 1.907 10 0 BDAEHO C[C@@H](NCCc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000400527155 226345868 /nfs/dbraw/zinc/34/58/68/226345868.db2.gz QLXFIUWIJYFEHI-DGCLKSJQSA-N 1 3 236.334 1.956 10 0 BDAEHO C[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000400578350 226346630 /nfs/dbraw/zinc/34/66/30/226346630.db2.gz PRVYCXAZVJTPIO-GRYCIOLGSA-N 1 3 225.380 1.057 10 0 BDAEHO C[C@H](N[C@@H]1CS[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000306833291 229398310 /nfs/dbraw/zinc/39/83/10/229398310.db2.gz NQJCXKUWNUSONK-YTWAJWBKSA-N 1 3 214.378 1.468 10 0 BDAEHO C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCCNC1 ZINC000562744794 323029834 /nfs/dbraw/zinc/02/98/34/323029834.db2.gz VZDDLNUCKDBIHK-XJFOESAGSA-N 1 3 240.391 1.779 10 0 BDAEHO Cc1ccc(CCN[C@@H](C)[C@H]2CCC[NH2+]C2)nc1 ZINC000570035744 323047702 /nfs/dbraw/zinc/04/77/02/323047702.db2.gz PNXSTLQQCNVTLA-KBPBESRZSA-N 1 3 247.386 1.910 10 0 BDAEHO C[C@H](O)[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000570515673 323061435 /nfs/dbraw/zinc/06/14/35/323061435.db2.gz NROIECFBRJLLSK-YNEHKIRRSA-N 1 3 226.364 1.079 10 0 BDAEHO C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000570515673 323061436 /nfs/dbraw/zinc/06/14/36/323061436.db2.gz NROIECFBRJLLSK-YNEHKIRRSA-N 1 3 226.364 1.079 10 0 BDAEHO C[C@H](O)[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000570515673 323061437 /nfs/dbraw/zinc/06/14/37/323061437.db2.gz NROIECFBRJLLSK-YNEHKIRRSA-N 1 3 226.364 1.079 10 0 BDAEHO C[C@H]([NH2+]C[C@@]1(C)CCCO1)[C@@H]1CCCNC1 ZINC000570663831 323066347 /nfs/dbraw/zinc/06/63/47/323066347.db2.gz FNUGBPQFOBXPFL-YNEHKIRRSA-N 1 3 226.364 1.533 10 0 BDAEHO C[C@H](NC[C@@]1(C)CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000570663831 323066348 /nfs/dbraw/zinc/06/63/48/323066348.db2.gz FNUGBPQFOBXPFL-YNEHKIRRSA-N 1 3 226.364 1.533 10 0 BDAEHO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)[C@H]1CCCNC1 ZINC000530225582 323218861 /nfs/dbraw/zinc/21/88/61/323218861.db2.gz OMRICHGTYBYXQR-XQZGEAEESA-N 1 3 240.391 1.776 10 0 BDAEHO CC(C)OCCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000566056411 325988101 /nfs/dbraw/zinc/98/81/01/325988101.db2.gz ZNSUORGABOVFSM-STQMWFEESA-N 1 3 228.380 1.779 10 0 BDAEHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)[C@@H](C)O ZINC000567639407 326236962 /nfs/dbraw/zinc/23/69/62/326236962.db2.gz NDCPTJXPKQGRSZ-WYUUTHIRSA-N 1 3 214.353 1.124 10 0 BDAEHO Cc1cnccc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000129739589 488119634 /nfs/dbraw/zinc/11/96/34/488119634.db2.gz ITYZLKHOOLOZND-AAEUAGOBSA-N 1 3 219.332 1.607 10 0 BDAEHO CCO[C@@H]1C[N@@H+]([C@H](C)C(C)C)C[C@H]1CN ZINC000405320208 487481043 /nfs/dbraw/zinc/48/10/43/487481043.db2.gz YTVCFNLAIMOLGN-IJLUTSLNSA-N 1 3 214.353 1.327 10 0 BDAEHO CCO[C@@H]1C[N@H+]([C@H](C)C(C)C)C[C@H]1CN ZINC000405320208 487481044 /nfs/dbraw/zinc/48/10/44/487481044.db2.gz YTVCFNLAIMOLGN-IJLUTSLNSA-N 1 3 214.353 1.327 10 0 BDAEHO c1ccc2c(c1)OCC[C@@H]2CNC[C@H]1CC[NH2+]C1 ZINC000398415497 488219316 /nfs/dbraw/zinc/21/93/16/488219316.db2.gz VUGBTLJFKKUUAJ-QWHCGFSZSA-N 1 3 246.354 1.752 10 0 BDAEHO c1ccc2c(c1)OCC[C@H]2CNC[C@H]1CC[NH2+]C1 ZINC000398415501 488219467 /nfs/dbraw/zinc/21/94/67/488219467.db2.gz VUGBTLJFKKUUAJ-STQMWFEESA-N 1 3 246.354 1.752 10 0 BDAEHO C[C@H](NCC(C)(C)C(C)(C)O)[C@H]1CC[NH2+]C1 ZINC000400393497 533829674 /nfs/dbraw/zinc/82/96/74/533829674.db2.gz JLGMDVFPDYOFMB-QWRGUYRKSA-N 1 3 228.380 1.371 10 0 BDAEHO CC(C)CSCCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400466928 528226409 /nfs/dbraw/zinc/22/64/09/528226409.db2.gz WHORPRQFAJPTEH-NEPJUHHUSA-N 1 3 230.421 1.963 10 0 BDAEHO CCCC1CCC(NC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000262117601 534927718 /nfs/dbraw/zinc/92/77/18/534927718.db2.gz LKJVEDCFAMJIJM-GNRIBBGQSA-N 1 3 240.391 1.515 10 0 BDAEHO CCCC1CCC([NH2+]C[C@@H]2CNC[C@H]2O)CC1 ZINC000262117601 534927721 /nfs/dbraw/zinc/92/77/21/534927721.db2.gz LKJVEDCFAMJIJM-GNRIBBGQSA-N 1 3 240.391 1.515 10 0 BDAEHO C[C@H]1[NH2+]CCC[C@@]12CCCN2CCN(C)C ZINC000757134171 582510370 /nfs/dbraw/zinc/51/03/70/582510370.db2.gz WLUJOXCGSLKXBQ-CHWSQXEVSA-N 1 3 225.380 1.155 10 0 BDAEHO C1CC1[NH+]1CCC2(CC1)NC[C@@H]1CCC[C@@H]1O2 ZINC000757143106 582523182 /nfs/dbraw/zinc/52/31/82/582523182.db2.gz MEGQNEQCMIZOJN-AAEUAGOBSA-N 1 3 236.359 1.729 10 0 BDAEHO CC1(C)CCC[C@]2(C1)[NH2+]CCC1(CNC1)O2 ZINC000757153453 582537456 /nfs/dbraw/zinc/53/74/56/582537456.db2.gz WQCZFCYMCSYRNO-ZDUSSCGKSA-N 1 3 224.348 1.635 10 0 BDAEHO CC(C)CN1CCN([C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396623672 583086618 /nfs/dbraw/zinc/08/66/18/583086618.db2.gz DECHGTWSZKLZLO-UONOGXRCSA-N 1 3 239.407 1.401 10 0 BDAEHO CCN1CCC2(CC1)[NH2+]C[C@H](C1CC1)CO2 ZINC000757150781 586428634 /nfs/dbraw/zinc/42/86/34/586428634.db2.gz SDAYOAOQXGLIRC-LBPRGKRZSA-N 1 3 224.348 1.444 10 0 BDAEHO NC[C@@H]1C[NH2+]C[C@@H](c2cccc3cc[nH]c32)C1 ZINC000757206998 586437259 /nfs/dbraw/zinc/43/72/59/586437259.db2.gz ATZIDYFCPBGXAZ-PWSUYJOCSA-N 1 3 229.327 1.820 10 0 BDAEHO [NH3+]C[C@@H]1CNC[C@@H](c2cccc3cc[nH]c32)C1 ZINC000757206998 586437260 /nfs/dbraw/zinc/43/72/60/586437260.db2.gz ATZIDYFCPBGXAZ-PWSUYJOCSA-N 1 3 229.327 1.820 10 0 BDAEHO C[C@@H]1C[C@H](N)C[NH2+][C@@H]1c1cccc(N)c1 ZINC000757208647 586437937 /nfs/dbraw/zinc/43/79/37/586437937.db2.gz AKIQZIONGWSEJP-ZHAHWJHGSA-N 1 3 205.305 1.267 10 0 BDAEHO COC(=O)[C@H]1CCN[C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757210842 586438817 /nfs/dbraw/zinc/43/88/17/586438817.db2.gz HLIGWGRKOWWAEH-QWHCGFSZSA-N 1 3 248.326 1.359 10 0 BDAEHO [NH3+]C[C@H]1CC[C@@H](c2cccc3cc[nH]c32)CN1 ZINC000757212638 586439426 /nfs/dbraw/zinc/43/94/26/586439426.db2.gz JOEYGJKCFQYAMG-VXGBXAGGSA-N 1 3 229.327 1.962 10 0 BDAEHO Nc1cccc([C@H]2CC[C@@H](C[NH3+])CN2)c1 ZINC000757215250 586440415 /nfs/dbraw/zinc/44/04/15/586440415.db2.gz MUJPBQXVAGDQEM-JOYOIKCWSA-N 1 3 205.305 1.268 10 0 BDAEHO Cc1ccc(N)cc1[C@H]1CCN[C@H](C[NH3+])C1 ZINC000757239497 586444459 /nfs/dbraw/zinc/44/44/59/586444459.db2.gz UKMJQEHCVUGBCN-JQWIXIFHSA-N 1 3 219.332 1.372 10 0 BDAEHO CN(C)c1ccnc(-c2cccc(C[NH3+])c2)c1N ZINC000757571627 586462752 /nfs/dbraw/zinc/46/27/52/586462752.db2.gz LSSSSLSQESPNIY-UHFFFAOYSA-N 1 3 242.326 1.856 10 0 BDAEHO C[C@H](CN[C@@H]1CCC[NH2+]CC1)N1CCCCC1 ZINC000129161313 591266783 /nfs/dbraw/zinc/26/67/83/591266783.db2.gz CWAMDSHSKZRHIR-ZIAGYGMSSA-N 1 3 239.407 1.593 10 0 BDAEHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CCCO1 ZINC000251524706 635704408 /nfs/dbraw/zinc/70/44/08/635704408.db2.gz XDAYPQQILBHGQY-PSEXLTFBSA-N 1 3 224.348 1.510 10 0 BDAEHO CC(C)[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328567155 633777111 /nfs/dbraw/zinc/77/71/11/633777111.db2.gz NNMXLVFFNFDIQX-ASHHDVGLSA-N 1 3 208.349 1.617 10 0 BDAEHO CCN1CCC[C@H](NC(=O)CCCCC[NH3+])C1 ZINC000040503546 633817153 /nfs/dbraw/zinc/81/71/53/633817153.db2.gz NJEVRKFDAFLMTC-LBPRGKRZSA-N 1 3 241.379 1.106 10 0 BDAEHO C[C@@H]1[NH2+][C@H](c2cccc(N)c2)CC[C@H]1N ZINC000757211070 643371922 /nfs/dbraw/zinc/37/19/22/643371922.db2.gz FTRVCMCNEZFCAU-AXTRIDKLSA-N 1 3 205.305 1.409 10 0 BDAEHO CC[C@](C)(O)C[NH+]1CCC(C)(N(C)C)CC1 ZINC000709772367 712220817 /nfs/dbraw/zinc/22/08/17/712220817.db2.gz IOHLRYZZJWMPSZ-ZDUSSCGKSA-N 1 3 228.380 1.564 10 0 BDAEHO CC[C@@](C)(O)C[NH+]1CCC(C)(N(C)C)CC1 ZINC000709772365 712220846 /nfs/dbraw/zinc/22/08/46/712220846.db2.gz IOHLRYZZJWMPSZ-CYBMUJFWSA-N 1 3 228.380 1.564 10 0 BDAEHO C([C@@H]1CCCO1)[N@@H+]1CCNCCC12CCC2 ZINC000713174518 712453135 /nfs/dbraw/zinc/45/31/35/712453135.db2.gz KJJRCDUGYQZZIK-LBPRGKRZSA-N 1 3 224.348 1.383 10 0 BDAEHO C([C@@H]1CCCO1)[N@H+]1CCNCCC12CCC2 ZINC000713174518 712453137 /nfs/dbraw/zinc/45/31/37/712453137.db2.gz KJJRCDUGYQZZIK-LBPRGKRZSA-N 1 3 224.348 1.383 10 0 BDAEHO CCOC[C@H](C)N1CCC([NH3+])(CC)CC1 ZINC000714752620 711522164 /nfs/dbraw/zinc/52/21/64/711522164.db2.gz CRLXOFVNQSSZIW-NSHDSACASA-N 1 3 214.353 1.615 10 0 BDAEHO C[C@H](NC[C@@H]1CC[C@H](C2CC2)O1)[C@H]1CC[NH2+]C1 ZINC000722323086 711737126 /nfs/dbraw/zinc/73/71/26/711737126.db2.gz WHCKWZVLGSLQHK-DOERSZECSA-N 1 3 238.375 1.532 10 0 BDAEHO C([C@@H]1CCCO1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715014258 712503869 /nfs/dbraw/zinc/50/38/69/712503869.db2.gz UOHZXENCGOEMBW-RWMBFGLXSA-N 1 3 224.348 1.239 10 0 BDAEHO CCC[C@H](N)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029512 712800360 /nfs/dbraw/zinc/80/03/60/712800360.db2.gz LWUDOHZSLRQLON-RYUDHWBXSA-N 1 3 241.379 1.104 10 0 BDAEHO CCN1CC[C@H]([NH3+])[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955186 538900903 /nfs/dbraw/zinc/90/09/03/538900903.db2.gz VRJQPRHZDHCKMB-WHOHXGKFSA-N 1 3 212.337 1.366 10 0 BDAEHO N[C@@H]1CCC[C@@]2(c3ccccc3)C[NH2+]C[C@@H]12 ZINC000685958449 538905989 /nfs/dbraw/zinc/90/59/89/538905989.db2.gz NTNVBKLXXXJSTC-MJBXVCDLSA-N 1 3 216.328 1.655 10 0 BDAEHO CC1([NH+]2CCSCC2)CCNCC1 ZINC000685960956 538908200 /nfs/dbraw/zinc/90/82/00/538908200.db2.gz INZZKCADQGVILG-UHFFFAOYSA-N 1 3 200.351 1.177 10 0 BDAEHO C[C@H](N)[C@H](C)[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000306789002 398200983 /nfs/dbraw/zinc/20/09/83/398200983.db2.gz SQYZLRCNIGQINB-AATLWQCWSA-N 1 3 202.367 1.548 10 0 BDAEHO C[C@H](N)[C@H](C)[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000306789002 398200987 /nfs/dbraw/zinc/20/09/87/398200987.db2.gz SQYZLRCNIGQINB-AATLWQCWSA-N 1 3 202.367 1.548 10 0 BDAEHO CCN1CC[C@H]([NH3+])C12CCSCC2 ZINC000606275701 538930025 /nfs/dbraw/zinc/93/00/25/538930025.db2.gz IZBRBJOWBKCSRV-VIFPVBQESA-N 1 3 200.351 1.305 10 0 BDAEHO C[NH2+]C[C@H]1CCN([C@@H]2CCSC2)C1 ZINC000070798623 361758718 /nfs/dbraw/zinc/75/87/18/361758718.db2.gz UTNWOJGRNGUCHA-NXEZZACHSA-N 1 3 200.351 1.033 10 0 BDAEHO CCC(CC)[N@H+](CCO)C[C@@H]1CCC[C@@H]1NC ZINC000053877022 168373376 /nfs/dbraw/zinc/37/33/76/168373376.db2.gz JGRMSXBVLCDJCO-JSGCOSHPSA-N 1 3 242.407 1.857 10 0 BDAEHO CCC(CC)[N@@H+](CCO)C[C@@H]1CCC[C@@H]1NC ZINC000053877022 168373378 /nfs/dbraw/zinc/37/33/78/168373378.db2.gz JGRMSXBVLCDJCO-JSGCOSHPSA-N 1 3 242.407 1.857 10 0 BDAEHO Cc1c(CN2CCC(CC[NH3+])CC2)cnn1C ZINC000093651385 343151931 /nfs/dbraw/zinc/15/19/31/343151931.db2.gz CLGZAJNLKYYIRT-UHFFFAOYSA-N 1 3 236.363 1.289 10 0 BDAEHO C[C@@H]1CC[C@H](CN2C[C@H](C)[C@H](C[NH3+])C2)O1 ZINC000634688396 343245927 /nfs/dbraw/zinc/24/59/27/343245927.db2.gz RAUAFXILIJPDJH-IRCOFANPSA-N 1 3 212.337 1.081 10 0 BDAEHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](C)[C@H](CN)C2)O1 ZINC000634688396 343245929 /nfs/dbraw/zinc/24/59/29/343245929.db2.gz RAUAFXILIJPDJH-IRCOFANPSA-N 1 3 212.337 1.081 10 0 BDAEHO C[C@@H]1CC[C@H](C[N@H+]2C[C@H](C)[C@H](CN)C2)O1 ZINC000634688396 343245930 /nfs/dbraw/zinc/24/59/30/343245930.db2.gz RAUAFXILIJPDJH-IRCOFANPSA-N 1 3 212.337 1.081 10 0 BDAEHO C[C@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CCCNC1 ZINC000584107181 343597370 /nfs/dbraw/zinc/59/73/70/343597370.db2.gz NUCZNYLKHRGXMH-JSGCOSHPSA-N 1 3 248.370 1.912 10 0 BDAEHO C[C@H](NCCc1ccc(O)cc1)[C@H]1CCC[NH2+]C1 ZINC000584107181 343597371 /nfs/dbraw/zinc/59/73/71/343597371.db2.gz NUCZNYLKHRGXMH-JSGCOSHPSA-N 1 3 248.370 1.912 10 0 BDAEHO N[C@@H](CN1CCC([NH3+])CC1)c1ccccc1 ZINC000059732106 343712667 /nfs/dbraw/zinc/71/26/67/343712667.db2.gz DNVMQMDQDCOVRX-ZDUSSCGKSA-N 1 3 219.332 1.110 10 0 BDAEHO CC(C)CN1CCOc2ccc(C[NH3+])cc2C1 ZINC000409422497 343813951 /nfs/dbraw/zinc/81/39/51/343813951.db2.gz HACQQCKCQYLHKZ-UHFFFAOYSA-N 1 3 234.343 1.996 10 0 BDAEHO COC[C@H]1C[N@H+](CCCN)CC12CCCCC2 ZINC000409433937 343830997 /nfs/dbraw/zinc/83/09/97/343830997.db2.gz NUGWERGVFHMZBP-CYBMUJFWSA-N 1 3 240.391 1.864 10 0 BDAEHO COC[C@H]1C[N@@H+](CCCN)CC12CCCCC2 ZINC000409433937 343830998 /nfs/dbraw/zinc/83/09/98/343830998.db2.gz NUGWERGVFHMZBP-CYBMUJFWSA-N 1 3 240.391 1.864 10 0 BDAEHO N[C@H]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC000220689458 344567473 /nfs/dbraw/zinc/56/74/73/344567473.db2.gz LCEKUMGOIZRVDC-WPRPVWTQSA-N 1 3 200.351 1.351 10 0 BDAEHO C[C@H](N[C@@H](CO)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400748329 345727332 /nfs/dbraw/zinc/72/73/32/345727332.db2.gz UZFHLXSNXULGDQ-UBHSHLNASA-N 1 3 240.391 1.515 10 0 BDAEHO COCCCN[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241367 537979174 /nfs/dbraw/zinc/97/91/74/537979174.db2.gz DXJJSZAFPLDZGD-NWDGAFQWSA-N 1 3 212.337 1.239 10 0 BDAEHO COCCCN[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000725241367 537979177 /nfs/dbraw/zinc/97/91/77/537979177.db2.gz DXJJSZAFPLDZGD-NWDGAFQWSA-N 1 3 212.337 1.239 10 0 BDAEHO C[C@H]([NH2+]CC[C@@H]1CCCCO1)[C@H]1CCCNC1 ZINC000571157288 323136963 /nfs/dbraw/zinc/13/69/63/323136963.db2.gz BKFBDRVILPPKOP-IHRRRGAJSA-N 1 3 240.391 1.923 10 0 BDAEHO CN([C@@H]1CCSC1)[C@H]1CC[C@@H]([NH3+])C1 ZINC000250352421 362801008 /nfs/dbraw/zinc/80/10/08/362801008.db2.gz AWAMYEUJIJIUQA-KXUCPTDWSA-N 1 3 200.351 1.304 10 0 BDAEHO CCSC1(C[NH2+]C2CCNCC2)CC1 ZINC000596653587 348607370 /nfs/dbraw/zinc/60/73/70/348607370.db2.gz VWAGPHRJRAVPQO-UHFFFAOYSA-N 1 3 214.378 1.614 10 0 BDAEHO CCSC1(CNC2CC[NH2+]CC2)CC1 ZINC000596653587 348607374 /nfs/dbraw/zinc/60/73/74/348607374.db2.gz VWAGPHRJRAVPQO-UHFFFAOYSA-N 1 3 214.378 1.614 10 0 BDAEHO CN[C@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000054074235 348889279 /nfs/dbraw/zinc/88/92/79/348889279.db2.gz LRULAIIEUBZSEP-SNVBAGLBSA-N 1 3 235.331 1.295 10 0 BDAEHO COC[C@@H]1C[N@H+](CCCN)CC12CCCCC2 ZINC000409433939 350473580 /nfs/dbraw/zinc/47/35/80/350473580.db2.gz NUGWERGVFHMZBP-ZDUSSCGKSA-N 1 3 240.391 1.864 10 0 BDAEHO COC[C@@H]1C[N@@H+](CCCN)CC12CCCCC2 ZINC000409433939 350473582 /nfs/dbraw/zinc/47/35/82/350473582.db2.gz NUGWERGVFHMZBP-ZDUSSCGKSA-N 1 3 240.391 1.864 10 0 BDAEHO COC1(C)CC[NH+]([C@H](C)[C@@H](C)N)CC1 ZINC000306803348 351058000 /nfs/dbraw/zinc/05/80/00/351058000.db2.gz AHENBRRGQBGHPT-NXEZZACHSA-N 1 3 200.326 1.223 10 0 BDAEHO C[C@H](C[NH2+]CC(C)(C)N)NC(=O)OC(C)(C)C ZINC000307323055 352017409 /nfs/dbraw/zinc/01/74/09/352017409.db2.gz AJBXWJSASBSEMQ-SECBINFHSA-N 1 3 245.367 1.227 10 0 BDAEHO Cc1sc(CC[NH3+])nc1CNC(C)C ZINC000725272440 538104188 /nfs/dbraw/zinc/10/41/88/538104188.db2.gz FMALOIBQBORMGC-UHFFFAOYSA-N 1 3 213.350 1.451 10 0 BDAEHO C[C@H](C[NH2+]C[C@H](O)C(C)(C)C)CN1CCCC1 ZINC000310264327 353134560 /nfs/dbraw/zinc/13/45/60/353134560.db2.gz MHFTUYHTUFVSLW-OLZOCXBDSA-N 1 3 242.407 1.715 10 0 BDAEHO C[C@H](CNC[C@H](O)C(C)(C)C)C[NH+]1CCCC1 ZINC000310264327 353134563 /nfs/dbraw/zinc/13/45/63/353134563.db2.gz MHFTUYHTUFVSLW-OLZOCXBDSA-N 1 3 242.407 1.715 10 0 BDAEHO CN(Cc1ccccc1)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223110007 353136616 /nfs/dbraw/zinc/13/66/16/353136616.db2.gz SUEVMBMZZZPHAP-CHWSQXEVSA-N 1 3 204.317 1.998 10 0 BDAEHO C[C@@H]1C[C@@H](N)C[N@@H+]([C@H]2CCSC2)C1 ZINC000252214120 363220143 /nfs/dbraw/zinc/22/01/43/363220143.db2.gz YUSCOBXIBFGZEY-BBBLOLIVSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1C[C@@H](N)C[N@H+]([C@H]2CCSC2)C1 ZINC000252214120 363220150 /nfs/dbraw/zinc/22/01/50/363220150.db2.gz YUSCOBXIBFGZEY-BBBLOLIVSA-N 1 3 200.351 1.161 10 0 BDAEHO C[C@@H]1COC[C@@H](C)N1CC[C@H]1CC[NH2+]C1 ZINC000420296787 192205165 /nfs/dbraw/zinc/20/51/65/192205165.db2.gz DWUOIMBEPWCZML-IJLUTSLNSA-N 1 3 212.337 1.095 10 0 BDAEHO CN(C[C@H](O)c1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000675059036 538483736 /nfs/dbraw/zinc/48/37/36/538483736.db2.gz HTGDJQAMSFMKCW-HNNXBMFYSA-N 1 3 246.354 1.460 10 0 BDAEHO CC1(CC2=C[C@@H]([NH3+])CNC2)CCOCC1 ZINC000675078449 538515742 /nfs/dbraw/zinc/51/57/42/538515742.db2.gz PUFHUBWDOKIDGI-LLVKDONJSA-N 1 3 210.321 1.050 10 0 BDAEHO [NH3+][C@H]1C=C(CCc2ccsc2)CNC1 ZINC000675078728 538515877 /nfs/dbraw/zinc/51/58/77/538515877.db2.gz RTLCHZSKCPRGJG-NSHDSACASA-N 1 3 208.330 1.538 10 0 BDAEHO C[C@H]1CN(CC2(C[NH3+])CC2)C[C@H](C)S1 ZINC000168788590 357233155 /nfs/dbraw/zinc/23/31/55/357233155.db2.gz MQJQRHOWBUQZFU-UWVGGRQHSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@H]1C[NH+](CC2(CN)CC2)C[C@H](C)S1 ZINC000168788590 357233162 /nfs/dbraw/zinc/23/31/62/357233162.db2.gz MQJQRHOWBUQZFU-UWVGGRQHSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@@H+]1CCCO[C@@H](C)C1 ZINC000685951792 538895528 /nfs/dbraw/zinc/89/55/28/538895528.db2.gz YPAMEBWHTJDONY-QNWHQSFQSA-N 1 3 226.364 1.341 10 0 BDAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@H+]1CCCO[C@@H](C)C1 ZINC000685951792 538895529 /nfs/dbraw/zinc/89/55/29/538895529.db2.gz YPAMEBWHTJDONY-QNWHQSFQSA-N 1 3 226.364 1.341 10 0 BDAEHO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1CCCO[C@@H](C)C1 ZINC000685951792 538895531 /nfs/dbraw/zinc/89/55/31/538895531.db2.gz YPAMEBWHTJDONY-QNWHQSFQSA-N 1 3 226.364 1.341 10 0 BDAEHO CC(C)C[C@H](CO)N[C@H]1CCC[NH2+]CC1 ZINC000168735089 134247542 /nfs/dbraw/zinc/24/75/42/134247542.db2.gz BLOOEDQOQZDKLB-NWDGAFQWSA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)C[C@H](CO)[NH2+][C@H]1CCCNCC1 ZINC000168735089 134247543 /nfs/dbraw/zinc/24/75/43/134247543.db2.gz BLOOEDQOQZDKLB-NWDGAFQWSA-N 1 3 214.353 1.125 10 0 BDAEHO CCN1CCC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000222975648 358216059 /nfs/dbraw/zinc/21/60/59/358216059.db2.gz FTRAGLXJAYIQHV-UPJWGTAASA-N 1 3 225.380 1.330 10 0 BDAEHO C[C@@H]1SCC[C@H]1N1CCC[C@H]1C[NH3+] ZINC000300351476 358970377 /nfs/dbraw/zinc/97/03/77/358970377.db2.gz ANSQGVABADWSBS-LPEHRKFASA-N 1 3 200.351 1.304 10 0 BDAEHO C[C@H]1CSC[C@@]1(C[NH3+])N1CCCC1 ZINC000306200515 359028276 /nfs/dbraw/zinc/02/82/76/359028276.db2.gz LRNXVIFXCUMUOP-VHSXEESVSA-N 1 3 200.351 1.163 10 0 BDAEHO C[C@@H]1CSC[C@@]1(C[NH3+])N1CCCC1 ZINC000306200513 359028438 /nfs/dbraw/zinc/02/84/38/359028438.db2.gz LRNXVIFXCUMUOP-NXEZZACHSA-N 1 3 200.351 1.163 10 0 BDAEHO CS[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](CN)C1 ZINC000300393116 358987785 /nfs/dbraw/zinc/98/77/85/358987785.db2.gz WGHFUQMXIFQCRP-OUAUKWLOSA-N 1 3 214.378 1.551 10 0 BDAEHO CS[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](CN)C1 ZINC000300393116 358987789 /nfs/dbraw/zinc/98/77/89/358987789.db2.gz WGHFUQMXIFQCRP-OUAUKWLOSA-N 1 3 214.378 1.551 10 0 BDAEHO C[C@H](CCN)[N@@H+]1CCCOC(C)(C)C1 ZINC000306471754 360098181 /nfs/dbraw/zinc/09/81/81/360098181.db2.gz SEPPGQWOBYJCGB-SNVBAGLBSA-N 1 3 200.326 1.225 10 0 BDAEHO C[C@H](CCN)[N@H+]1CCCOC(C)(C)C1 ZINC000306471754 360098187 /nfs/dbraw/zinc/09/81/87/360098187.db2.gz SEPPGQWOBYJCGB-SNVBAGLBSA-N 1 3 200.326 1.225 10 0 BDAEHO C[C@H](CC[NH3+])N1CCCOC(C)(C)C1 ZINC000306471754 360098190 /nfs/dbraw/zinc/09/81/90/360098190.db2.gz SEPPGQWOBYJCGB-SNVBAGLBSA-N 1 3 200.326 1.225 10 0 BDAEHO C[C@@H]1CN(Cc2ccccc2)CCN(C(N)=[NH2+])C1 ZINC000306499343 360260422 /nfs/dbraw/zinc/26/04/22/360260422.db2.gz JAYDGYAEZGNIKR-GFCCVEGCSA-N 1 3 246.358 1.334 10 0 BDAEHO C[C@@H]1CNCC[C@H]1[N@@H+]1CCSC[C@@H]1C ZINC000306532670 360392231 /nfs/dbraw/zinc/39/22/31/360392231.db2.gz BZMUPNAIEDWXFZ-OUAUKWLOSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@@H]1CNCC[C@H]1[N@H+]1CCSC[C@@H]1C ZINC000306532670 360392232 /nfs/dbraw/zinc/39/22/32/360392232.db2.gz BZMUPNAIEDWXFZ-OUAUKWLOSA-N 1 3 214.378 1.422 10 0 BDAEHO C[C@@H]1C[N@H+](C2CCNCC2)C[C@H](C)S1 ZINC000069908617 361015295 /nfs/dbraw/zinc/01/52/95/361015295.db2.gz ZOTHJAVNFDNSKK-AOOOYVTPSA-N 1 3 214.378 1.564 10 0 BDAEHO C[C@@H]1C[N@@H+](C2CCNCC2)C[C@H](C)S1 ZINC000069908617 361015300 /nfs/dbraw/zinc/01/53/00/361015300.db2.gz ZOTHJAVNFDNSKK-AOOOYVTPSA-N 1 3 214.378 1.564 10 0 BDAEHO C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000629545226 361425810 /nfs/dbraw/zinc/42/58/10/361425810.db2.gz COBQPDKEVLJWNU-PYJNHQTQSA-N 1 3 238.375 1.532 10 0 BDAEHO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@H]1CCCNC1 ZINC000629545226 361425813 /nfs/dbraw/zinc/42/58/13/361425813.db2.gz COBQPDKEVLJWNU-PYJNHQTQSA-N 1 3 238.375 1.532 10 0 BDAEHO COC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000629647961 361539362 /nfs/dbraw/zinc/53/93/62/361539362.db2.gz MBJJLEPVSARQGQ-FUNVUKJBSA-N 1 3 238.375 1.818 10 0 BDAEHO C[C@@H]1[C@@H](O)CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000448549110 201215181 /nfs/dbraw/zinc/21/51/81/201215181.db2.gz XABXSVSPFBUMQA-UPJWGTAASA-N 1 3 226.364 1.316 10 0 BDAEHO C[C@@H]1[C@@H](O)CCCN1CC[C@H]1CCC[N@H+]1C ZINC000448549110 201215184 /nfs/dbraw/zinc/21/51/84/201215184.db2.gz XABXSVSPFBUMQA-UPJWGTAASA-N 1 3 226.364 1.316 10 0 BDAEHO [NH3+]C1CCN(CC2(O)CCCCC2)CC1 ZINC000083585866 181343240 /nfs/dbraw/zinc/34/32/40/181343240.db2.gz LWYIWFDXTVZCDB-UHFFFAOYSA-N 1 3 212.337 1.105 10 0 BDAEHO CO[C@H]1CN(CC2CC(C)(C)C2)[C@](C)(C[NH3+])C1 ZINC000630366296 364086843 /nfs/dbraw/zinc/08/68/43/364086843.db2.gz KALHALIMQXGIER-OCCSQVGLSA-N 1 3 240.391 1.861 10 0 BDAEHO [NH3+]CC1(CN2CCC[C@H](CO)C2)CCCC1 ZINC000051206178 181358544 /nfs/dbraw/zinc/35/85/44/181358544.db2.gz BXHXLTLDZRDUAB-LBPRGKRZSA-N 1 3 226.364 1.210 10 0 BDAEHO [NH3+]CCN(c1ccncc1)C1CCCC1 ZINC000053706173 181390958 /nfs/dbraw/zinc/39/09/58/181390958.db2.gz YPXIBGFVLXHDFR-UHFFFAOYSA-N 1 3 205.305 1.789 10 0 BDAEHO C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000581005729 367231105 /nfs/dbraw/zinc/23/11/05/367231105.db2.gz DWBFIUFFKWRDOI-AVGNSLFASA-N 1 3 239.407 1.447 10 0 BDAEHO C[C@H](CN1CCSC[C@H]1C)[C@H](C)[NH3+] ZINC000252858749 368163545 /nfs/dbraw/zinc/16/35/45/368163545.db2.gz MCGVFZNMQLJIIE-BBBLOLIVSA-N 1 3 202.367 1.407 10 0 BDAEHO C[C@@H]1CN([C@H]2CC[C@@H]2C[NH3+])CCS1 ZINC000252982955 368178179 /nfs/dbraw/zinc/17/81/79/368178179.db2.gz YPJSJJBXXBTJEN-BBBLOLIVSA-N 1 3 200.351 1.161 10 0 BDAEHO CC(C)[C@H](CO)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000567639900 326236721 /nfs/dbraw/zinc/23/67/21/326236721.db2.gz CVVCWVIMIKXAHU-AGIUHOORSA-N 1 3 228.380 1.229 10 0 BDAEHO NC[C@@H]1CC[N@H+](C[C@@H]2CCCS2)C1 ZINC000226954912 371758767 /nfs/dbraw/zinc/75/87/67/371758767.db2.gz ALIYTBPOPSNXEQ-UWVGGRQHSA-N 1 3 200.351 1.163 10 0 BDAEHO NC[C@@H]1CC[N@@H+](C[C@@H]2CCCS2)C1 ZINC000226954912 371758770 /nfs/dbraw/zinc/75/87/70/371758770.db2.gz ALIYTBPOPSNXEQ-UWVGGRQHSA-N 1 3 200.351 1.163 10 0 BDAEHO C[C@@H]1[C@H](C)SCCN1CCC(C)(C)[NH3+] ZINC000132465465 371830986 /nfs/dbraw/zinc/83/09/86/371830986.db2.gz XPKGBSJKBVHKTI-ZJUUUORDSA-N 1 3 216.394 1.940 10 0 BDAEHO CO[C@]1(C)CCC[N@H+](CC(C)(C)N)C1 ZINC000230270897 371883122 /nfs/dbraw/zinc/88/31/22/371883122.db2.gz DFFSWTFVAMZSRZ-LLVKDONJSA-N 1 3 200.326 1.225 10 0 BDAEHO CO[C@]1(C)CCC[N@@H+](CC(C)(C)N)C1 ZINC000230270897 371883127 /nfs/dbraw/zinc/88/31/27/371883127.db2.gz DFFSWTFVAMZSRZ-LLVKDONJSA-N 1 3 200.326 1.225 10 0 BDAEHO OC[C@H](CCc1ccccc1)[N@@H+]1CCCNCC1 ZINC000061625892 183137548 /nfs/dbraw/zinc/13/75/48/183137548.db2.gz DBEOSKFZZCRRTO-HNNXBMFYSA-N 1 3 248.370 1.275 10 0 BDAEHO OC[C@H](CCc1ccccc1)[N@H+]1CCCNCC1 ZINC000061625892 183137550 /nfs/dbraw/zinc/13/75/50/183137550.db2.gz DBEOSKFZZCRRTO-HNNXBMFYSA-N 1 3 248.370 1.275 10 0 BDAEHO CCC[NH+](CCC)C1(CN)CCN(CC)CC1 ZINC000019486369 169147402 /nfs/dbraw/zinc/14/74/02/169147402.db2.gz GUQOGTYMEBWMAD-UHFFFAOYSA-N 1 3 241.423 1.922 10 0 BDAEHO CCCN(CCO)CC(C)(C)C[NH2+]CC(C)C ZINC000051252766 169164866 /nfs/dbraw/zinc/16/48/66/169164866.db2.gz COYLTQCMPPUABM-UHFFFAOYSA-N 1 3 244.423 1.963 10 0 BDAEHO CCCN1CCC(CN)([N@H+](C)CC2CC2)CC1 ZINC000037925266 169186248 /nfs/dbraw/zinc/18/62/48/169186248.db2.gz IVQOAPAZCTUFBX-UHFFFAOYSA-N 1 3 239.407 1.532 10 0 BDAEHO CCCN1CCC(CN)([N@@H+](C)CC2CC2)CC1 ZINC000037925266 169186250 /nfs/dbraw/zinc/18/62/50/169186250.db2.gz IVQOAPAZCTUFBX-UHFFFAOYSA-N 1 3 239.407 1.532 10 0 BDAEHO CCCNC[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042607058 169263869 /nfs/dbraw/zinc/26/38/69/169263869.db2.gz XSOXLLZFIGOCOH-MELADBBJSA-N 1 3 242.407 1.857 10 0 BDAEHO CCCNC[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042607058 169263871 /nfs/dbraw/zinc/26/38/71/169263871.db2.gz XSOXLLZFIGOCOH-MELADBBJSA-N 1 3 242.407 1.857 10 0 BDAEHO CCC[NH2+]C[C@H](O)CN(C)[C@@H]1CCCC[C@@H]1C ZINC000042607058 169263872 /nfs/dbraw/zinc/26/38/72/169263872.db2.gz XSOXLLZFIGOCOH-MELADBBJSA-N 1 3 242.407 1.857 10 0 BDAEHO C[C@H](NC[C@H]1Cc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400419762 384261644 /nfs/dbraw/zinc/26/16/44/384261644.db2.gz WOOKRZCMNBKLTJ-IACUBPJLSA-N 1 3 230.355 1.914 10 0 BDAEHO CN(C)CCOc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044745020 384356048 /nfs/dbraw/zinc/35/60/48/384356048.db2.gz FUSVWMCWZZVJML-CQSZACIVSA-N 1 3 234.343 1.963 10 0 BDAEHO CC[C@H](COC)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084222369 384377973 /nfs/dbraw/zinc/37/79/73/384377973.db2.gz AFORADNUJQKUDK-GMTAPVOTSA-N 1 3 200.326 1.128 10 0 BDAEHO [NH3+][C@@H](CCO)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000100278774 384630397 /nfs/dbraw/zinc/63/03/97/384630397.db2.gz PYWOWVDBIHYQJK-GJZGRUSLSA-N 1 3 248.370 1.608 10 0 BDAEHO CO[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)CC1 ZINC000647538426 384667068 /nfs/dbraw/zinc/66/70/68/384667068.db2.gz RCPNLTSOEXQKGK-QWHCGFSZSA-N 1 3 226.364 1.487 10 0 BDAEHO CO[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)CC1 ZINC000647538426 384667072 /nfs/dbraw/zinc/66/70/72/384667072.db2.gz RCPNLTSOEXQKGK-QWHCGFSZSA-N 1 3 226.364 1.487 10 0 BDAEHO C[C@H](NCCOC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000564824704 384682596 /nfs/dbraw/zinc/68/25/96/384682596.db2.gz PUGUPOBOHVZACN-STQMWFEESA-N 1 3 240.391 1.923 10 0 BDAEHO C[C@H]([NH2+]CCOC1CCCC1)[C@H]1CCCNC1 ZINC000564824704 384682603 /nfs/dbraw/zinc/68/26/03/384682603.db2.gz PUGUPOBOHVZACN-STQMWFEESA-N 1 3 240.391 1.923 10 0 BDAEHO FC1(F)CC(C[NH2+][C@@H]2CCCNCC2)C1 ZINC000336232824 385054121 /nfs/dbraw/zinc/05/41/21/385054121.db2.gz ZPROITKAIHTXMM-SNVBAGLBSA-N 1 3 218.291 1.763 10 0 BDAEHO FC1(F)CCC(C[NH2+][C@@H]2CCNC2)CC1 ZINC000335023160 385982830 /nfs/dbraw/zinc/98/28/30/385982830.db2.gz OBAOFQDKLLQRAG-SNVBAGLBSA-N 1 3 218.291 1.763 10 0 BDAEHO FC1(F)CCC(C[NH2+][C@H]2CCNC2)CC1 ZINC000335023159 385982865 /nfs/dbraw/zinc/98/28/65/385982865.db2.gz OBAOFQDKLLQRAG-JTQLQIEISA-N 1 3 218.291 1.763 10 0 BDAEHO CCOCCCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000519539820 386487424 /nfs/dbraw/zinc/48/74/24/386487424.db2.gz UGLBNNVTULRRHX-CHWSQXEVSA-N 1 3 228.380 1.781 10 0 BDAEHO N[C@H](CCC[NH3+])c1c(F)c(F)cc(F)c1F ZINC000575438101 387112976 /nfs/dbraw/zinc/11/29/76/387112976.db2.gz CNFRUTLSILBXPH-SSDOTTSWSA-N 1 3 236.212 1.982 10 0 BDAEHO FC1(F)CCC([NH2+]C2CCNCC2)CC1 ZINC000335024225 387115186 /nfs/dbraw/zinc/11/51/86/387115186.db2.gz AWKALMGTYYUKGW-UHFFFAOYSA-N 1 3 218.291 1.906 10 0 BDAEHO COc1ccc(F)c([C@H](N)CCC[NH3+])c1F ZINC000575438289 387129892 /nfs/dbraw/zinc/12/98/92/387129892.db2.gz ICCSWJNNPNUPNF-MRVPVSSYSA-N 1 3 230.258 1.712 10 0 BDAEHO C[C@@H]1C[C@H](C2CC[NH2+]CC2)C[C@@H](O)N1C ZINC000536950644 387162163 /nfs/dbraw/zinc/16/21/63/387162163.db2.gz QNJMGHVWOFZSOG-ADEWGFFLSA-N 1 3 212.337 1.035 10 0 BDAEHO C[C@@H]([NH2+]CCCOC(F)F)[C@H]1CCCNC1 ZINC000643488132 387361603 /nfs/dbraw/zinc/36/16/03/387361603.db2.gz HJHQVTCGPWTYSL-ZJUUUORDSA-N 1 3 236.306 1.593 10 0 BDAEHO C[C@@H](C[NH2+][C@@H]1CCNC1)CC(F)(F)F ZINC000396923421 387515178 /nfs/dbraw/zinc/51/51/78/387515178.db2.gz POKPFQBOBZAMTQ-HTQZYQBOSA-N 1 3 210.243 1.526 10 0 BDAEHO C[C@@H]([NH2+]C1CCC(CO)CC1)[C@H]1CCCNC1 ZINC000643471299 387479544 /nfs/dbraw/zinc/47/95/44/387479544.db2.gz OXVCXKPISVAEKL-ZIHBUVQPSA-N 1 3 240.391 1.515 10 0 BDAEHO CCN1CCC[C@H](N[C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400430824 387699673 /nfs/dbraw/zinc/69/96/73/387699673.db2.gz BPZNZRNUOZRXKZ-AVGNSLFASA-N 1 3 225.380 1.058 10 0 BDAEHO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCNC1 ZINC000643457189 387808497 /nfs/dbraw/zinc/80/84/97/387808497.db2.gz CRTQLJLTMJINCY-CRWXNKLISA-N 1 3 240.391 1.515 10 0 BDAEHO C[C@@H]1CC(C[NH2+][C@@H]2CCNC2)C[C@@H](C)O1 ZINC000423104063 387889720 /nfs/dbraw/zinc/88/97/20/387889720.db2.gz PTFIFGWDQQDUFQ-CKYFFXLPSA-N 1 3 212.337 1.142 10 0 BDAEHO Cc1cccnc1CCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000404961074 388447906 /nfs/dbraw/zinc/44/79/06/388447906.db2.gz VJINBZNOCLJREW-OLZOCXBDSA-N 1 3 233.359 1.520 10 0 BDAEHO CC[C@H]([NH2+][C@@H]1CCCNCC1)C(C)(C)O ZINC000394005861 388448765 /nfs/dbraw/zinc/44/87/65/388448765.db2.gz UWBCHPIDISVBAJ-MNOVXSKESA-N 1 3 214.353 1.268 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CCNCC1 ZINC000530224979 388634260 /nfs/dbraw/zinc/63/42/60/388634260.db2.gz NLWALHJBXXIWFU-GUDRVLHUSA-N 1 3 212.337 1.140 10 0 BDAEHO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC1CC[NH2+]CC1 ZINC000530224979 388634261 /nfs/dbraw/zinc/63/42/61/388634261.db2.gz NLWALHJBXXIWFU-GUDRVLHUSA-N 1 3 212.337 1.140 10 0 BDAEHO C[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H]1CCCNC1 ZINC000566088882 388986815 /nfs/dbraw/zinc/98/68/15/388986815.db2.gz FOVQISWERCHGML-RYUDHWBXSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@H](NCC(C)(C)C(C)(C)O)[C@H]1CCC[NH2+]C1 ZINC000566088882 388986817 /nfs/dbraw/zinc/98/68/17/388986817.db2.gz FOVQISWERCHGML-RYUDHWBXSA-N 1 3 242.407 1.761 10 0 BDAEHO C[C@@H](NCCN1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400390051 533394209 /nfs/dbraw/zinc/39/42/09/533394209.db2.gz ZLBPLWQDNQZXDC-ZIAGYGMSSA-N 1 3 239.407 1.306 10 0 BDAEHO C[C@@H](NCCN1CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400332308 533395130 /nfs/dbraw/zinc/39/51/30/533395130.db2.gz GFTVYJAQLKTSMP-ZIAGYGMSSA-N 1 3 239.407 1.450 10 0 BDAEHO C[NH+](C)C1CCN(c2ncccc2CN)CC1 ZINC000036190842 132340777 /nfs/dbraw/zinc/34/07/77/132340777.db2.gz VEMCPHFBNSKUIM-UHFFFAOYSA-N 1 3 234.347 1.071 10 0 BDAEHO C[C@H](O)CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251155624 135064919 /nfs/dbraw/zinc/06/49/19/135064919.db2.gz BJJMVYFDYBIFCV-UMSGYPCISA-N 1 3 226.364 1.268 10 0 BDAEHO C[C@H](O)CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251231134 135067062 /nfs/dbraw/zinc/06/70/62/135067062.db2.gz QGTCGHSVMQFRPD-RWMBFGLXSA-N 1 3 228.380 1.658 10 0 BDAEHO Cc1c(CN2CCC3(C2)CC[NH2+]CC3)cnn1C ZINC000257649182 135138488 /nfs/dbraw/zinc/13/84/88/135138488.db2.gz CVDGNQDGNCZKMK-UHFFFAOYSA-N 1 3 248.374 1.304 10 0 BDAEHO CC1(C)CN(C[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261535934 135170194 /nfs/dbraw/zinc/17/01/94/135170194.db2.gz PSYRUYYZQBUXTL-GHMZBOCLSA-N 1 3 212.337 1.082 10 0 BDAEHO CCC1(C[NH2+]C[C@@H]2CCCN2)CCOCC1 ZINC000261586694 135227899 /nfs/dbraw/zinc/22/78/99/135227899.db2.gz RITJPXQHRDTOOJ-LBPRGKRZSA-N 1 3 226.364 1.535 10 0 BDAEHO CC1(C)C[N@H+](CC[C@H]2CCOC2)CC[C@H]1N ZINC000261997995 135270773 /nfs/dbraw/zinc/27/07/73/135270773.db2.gz SZZWDMBPLYOOSB-NWDGAFQWSA-N 1 3 226.364 1.472 10 0 BDAEHO CC1(C)C[N@@H+](CC[C@H]2CCOC2)CC[C@H]1N ZINC000261997995 135270775 /nfs/dbraw/zinc/27/07/75/135270775.db2.gz SZZWDMBPLYOOSB-NWDGAFQWSA-N 1 3 226.364 1.472 10 0 BDAEHO CC1(C)CN(CC[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261997995 135270777 /nfs/dbraw/zinc/27/07/77/135270777.db2.gz SZZWDMBPLYOOSB-NWDGAFQWSA-N 1 3 226.364 1.472 10 0 BDAEHO CCC1(C)CCC(NC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000262133918 135280304 /nfs/dbraw/zinc/28/03/04/135280304.db2.gz OJKYZMWDFBABTP-AHPWVWPOSA-N 1 3 240.391 1.515 10 0 BDAEHO CCC1(C)CCC([NH2+]C[C@@H]2CNC[C@@H]2O)CC1 ZINC000262133918 135280306 /nfs/dbraw/zinc/28/03/06/135280306.db2.gz OJKYZMWDFBABTP-AHPWVWPOSA-N 1 3 240.391 1.515 10 0 BDAEHO C[C@H]1CC[N@H+](CCCN2CCCC2)C[C@H]1O ZINC000299891584 135381127 /nfs/dbraw/zinc/38/11/27/135381127.db2.gz WHTVQZKFMLVFOV-QWHCGFSZSA-N 1 3 226.364 1.175 10 0 BDAEHO C[C@H]1CC[N@@H+](CCCN2CCCC2)C[C@H]1O ZINC000299891584 135381128 /nfs/dbraw/zinc/38/11/28/135381128.db2.gz WHTVQZKFMLVFOV-QWHCGFSZSA-N 1 3 226.364 1.175 10 0 BDAEHO CCN1CCN(Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000584627189 398080215 /nfs/dbraw/zinc/08/02/15/398080215.db2.gz OSLMDZNWBSEOON-OAHLLOKOSA-N 1 3 247.386 1.542 10 0 BDAEHO [NH3+][C@@H]1CCN[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000147071791 398096854 /nfs/dbraw/zinc/09/68/54/398096854.db2.gz SGVKWPSGJHWMGH-NEPJUHHUSA-N 1 3 224.735 1.962 10 0 BDAEHO COCC[N@H+](C)[C@H]1CCCCCC[C@@H]1N ZINC000042458934 174284275 /nfs/dbraw/zinc/28/42/75/174284275.db2.gz GIIZPBBOTYQFSM-RYUDHWBXSA-N 1 3 214.353 1.615 10 0 BDAEHO COCC[N@@H+](C)[C@H]1CCCCCC[C@@H]1N ZINC000042458934 174284276 /nfs/dbraw/zinc/28/42/76/174284276.db2.gz GIIZPBBOTYQFSM-RYUDHWBXSA-N 1 3 214.353 1.615 10 0 BDAEHO C[C@H](NCCc1ccoc1)[C@H]1CC[NH2+]C1 ZINC000665261448 410737636 /nfs/dbraw/zinc/73/76/36/410737636.db2.gz CQFPUIIEMGCFPE-JQWIXIFHSA-N 1 3 208.305 1.410 10 0 BDAEHO CC(C)C[NH2+]C[C@@H]1CC[C@@H](CN(C)C2CC2)O1 ZINC000052445585 167006069 /nfs/dbraw/zinc/00/60/69/167006069.db2.gz VEUPOYYPVVJXHX-KBPBESRZSA-N 1 3 240.391 1.874 10 0 BDAEHO CC(C)[NH2+]CCN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000127729520 167107105 /nfs/dbraw/zinc/10/71/05/167107105.db2.gz YXBQBUFCQYTAGQ-VXGBXAGGSA-N 1 3 213.369 1.009 10 0 BDAEHO Cc1cnc(CCN[C@@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000656199704 411203783 /nfs/dbraw/zinc/20/37/83/411203783.db2.gz BCURUEGZONNUBU-UONOGXRCSA-N 1 3 247.386 1.829 10 0 BDAEHO CC[NH+]1CCC(N(C)c2ccnc(CO)c2)CC1 ZINC000042681233 169953760 /nfs/dbraw/zinc/95/37/60/169953760.db2.gz DPOGZSMLKLKUAK-UHFFFAOYSA-N 1 3 249.358 1.494 10 0 BDAEHO CCN1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000336906990 170022564 /nfs/dbraw/zinc/02/25/64/170022564.db2.gz YKYGDMAGLMJXMK-MELADBBJSA-N 1 3 237.391 1.297 10 0 BDAEHO CCN1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000336906990 170022566 /nfs/dbraw/zinc/02/25/66/170022566.db2.gz YKYGDMAGLMJXMK-MELADBBJSA-N 1 3 237.391 1.297 10 0 BDAEHO CCNC(=O)CCN(C)Cc1cccc(C[NH3+])c1 ZINC000051757627 170050334 /nfs/dbraw/zinc/05/03/34/170050334.db2.gz MUWAVECEFRFIOJ-UHFFFAOYSA-N 1 3 249.358 1.103 10 0 BDAEHO CC[NH2+]C1CCN([C@H]2CN3CCC2CC3)CC1 ZINC000037241472 170109520 /nfs/dbraw/zinc/10/95/20/170109520.db2.gz WVCXKOHPWHPFLP-AWEZNQCLSA-N 1 3 237.391 1.155 10 0 BDAEHO CC[NH2+]Cc1ccoc1CN1CCCC1 ZINC000052377363 170129586 /nfs/dbraw/zinc/12/95/86/170129586.db2.gz QZDXUPNUWWRCBD-UHFFFAOYSA-N 1 3 208.305 1.985 10 0 BDAEHO CCN[C@H](CC[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000061711963 170161827 /nfs/dbraw/zinc/16/18/27/170161827.db2.gz NILSMORDHVDOKE-LSDHHAIUSA-N 1 3 248.370 1.794 10 0 BDAEHO CCN[C@H](CC[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000061711963 170161828 /nfs/dbraw/zinc/16/18/28/170161828.db2.gz NILSMORDHVDOKE-LSDHHAIUSA-N 1 3 248.370 1.794 10 0 BDAEHO CCOC1CC[NH+]([C@@H]2CCCC[C@@H]2N)CC1 ZINC000040689238 170333034 /nfs/dbraw/zinc/33/30/34/170333034.db2.gz UKUHNCRJEZHEGZ-QWHCGFSZSA-N 1 3 226.364 1.757 10 0 BDAEHO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)CCN(C)C)C1 ZINC000104188856 171039889 /nfs/dbraw/zinc/03/98/89/171039889.db2.gz OQDIOFANSXSMHG-HZSPNIEDSA-N 1 3 241.423 1.633 10 0 BDAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@H+](CCO)C(C)C)C1 ZINC000042478614 171055400 /nfs/dbraw/zinc/05/54/00/171055400.db2.gz ICKXPBPORULOOJ-MGPQQGTHSA-N 1 3 242.407 1.843 10 0 BDAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@@H+](CCO)C(C)C)C1 ZINC000042478614 171055402 /nfs/dbraw/zinc/05/54/02/171055402.db2.gz ICKXPBPORULOOJ-MGPQQGTHSA-N 1 3 242.407 1.843 10 0 BDAEHO CC[C@@H]1CN(CC(CC)(CC)C[NH3+])CCN1C ZINC000104134981 171075814 /nfs/dbraw/zinc/07/58/14/171075814.db2.gz VJLDWXJOHGCEQZ-CYBMUJFWSA-N 1 3 241.423 1.778 10 0 BDAEHO CC[C@@H]1CN(CC[C@H]([NH3+])C(C)(C)C)CCN1C ZINC000104132358 171084956 /nfs/dbraw/zinc/08/49/56/171084956.db2.gz MNGJHEVMZNLXDI-OLZOCXBDSA-N 1 3 241.423 1.776 10 0 BDAEHO CC[C@@](C)(CN)[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000053206345 171166211 /nfs/dbraw/zinc/16/62/11/171166211.db2.gz CTCQYPGNFXIFFP-NEPJUHHUSA-N 1 3 213.369 1.140 10 0 BDAEHO CC[C@@](C)(CN)[N@@H+](C)[C@@H]1CCCN(C)C1 ZINC000053206345 171166213 /nfs/dbraw/zinc/16/62/13/171166213.db2.gz CTCQYPGNFXIFFP-NEPJUHHUSA-N 1 3 213.369 1.140 10 0 BDAEHO CC[C@H](C)N1CCN(C(C)(C)C[NH3+])CC1 ZINC000055064742 171318613 /nfs/dbraw/zinc/31/86/13/171318613.db2.gz RUJCBVHSGZCRFW-NSHDSACASA-N 1 3 213.369 1.140 10 0 BDAEHO C[C@H](NCCO[C@@H]1CC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000665243908 412187332 /nfs/dbraw/zinc/18/73/32/412187332.db2.gz AUUBCYMYSPNWSV-GARJFASQSA-N 1 3 248.317 1.388 10 0 BDAEHO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@H]1CCCNC1 ZINC000665243908 412187333 /nfs/dbraw/zinc/18/73/33/412187333.db2.gz AUUBCYMYSPNWSV-GARJFASQSA-N 1 3 248.317 1.388 10 0 BDAEHO CC(C)(F)CC[NH2+][C@@H]1CCCNCC1 ZINC000665261795 412204726 /nfs/dbraw/zinc/20/47/26/412204726.db2.gz LRXPMOBKIHLJGF-SNVBAGLBSA-N 1 3 202.317 1.856 10 0 BDAEHO CC(C)(F)CCN[C@@H]1CCC[NH2+]CC1 ZINC000665261795 412204728 /nfs/dbraw/zinc/20/47/28/412204728.db2.gz LRXPMOBKIHLJGF-SNVBAGLBSA-N 1 3 202.317 1.856 10 0 BDAEHO C[C@H]([NH2+][C@@H](CO)C1CCC1)[C@@H]1CCCNC1 ZINC000665235064 412165138 /nfs/dbraw/zinc/16/51/38/412165138.db2.gz PBHHURWQFPDROB-UHTWSYAYSA-N 1 3 226.364 1.125 10 0 BDAEHO C[C@H](N[C@@H](CO)C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000665235064 412165141 /nfs/dbraw/zinc/16/51/41/412165141.db2.gz PBHHURWQFPDROB-UHTWSYAYSA-N 1 3 226.364 1.125 10 0 BDAEHO C[NH2+]C[C@H](C)Nc1cc(C)nc2ccccc21 ZINC000663279733 412408474 /nfs/dbraw/zinc/40/84/74/412408474.db2.gz VEQPHKQCDFNUIQ-NSHDSACASA-N 1 3 229.327 1.985 10 0 BDAEHO CN1CCC(Oc2ccc(C[NH3+])cc2)CC1 ZINC000020352317 172999853 /nfs/dbraw/zinc/99/98/53/172999853.db2.gz PZEYBVDPDHNLET-UHFFFAOYSA-N 1 3 220.316 1.618 10 0 BDAEHO CN1CCC[C@@H](Nc2cc(N)cc[nH+]2)C1 ZINC000043569042 173020777 /nfs/dbraw/zinc/02/07/77/173020777.db2.gz KQRBLWCIABTRDB-SNVBAGLBSA-N 1 3 206.293 1.170 10 0 BDAEHO CN(C)c1cc[nH+]cc1N[C@@H]1CCN(C)C1 ZINC000061985082 173125122 /nfs/dbraw/zinc/12/51/22/173125122.db2.gz RBKKPSMIBQGNMI-SNVBAGLBSA-N 1 3 220.320 1.264 10 0 BDAEHO C[NH2+]CC1CCN([C@@H](C)c2cnn(C)c2)CC1 ZINC000063159206 173338759 /nfs/dbraw/zinc/33/87/59/173338759.db2.gz LCZPDLSMHOKEMR-NSHDSACASA-N 1 3 236.363 1.413 10 0 BDAEHO C[NH2+]C[C@@H]1CCCN(CCCn2ccnc2)C1 ZINC000049328863 173367676 /nfs/dbraw/zinc/36/76/76/173367676.db2.gz QTMQGLHERVDOEL-ZDUSSCGKSA-N 1 3 236.363 1.205 10 0 BDAEHO CNCc1ccoc1C[N@@H+]1CCC[C@@H]1C ZINC000052375685 173391351 /nfs/dbraw/zinc/39/13/51/173391351.db2.gz NCFAJKCILUCUCH-JTQLQIEISA-N 1 3 208.305 1.983 10 0 BDAEHO CNCc1ccoc1C[N@H+]1CCC[C@@H]1C ZINC000052375685 173391353 /nfs/dbraw/zinc/39/13/53/173391353.db2.gz NCFAJKCILUCUCH-JTQLQIEISA-N 1 3 208.305 1.983 10 0 BDAEHO COC1CCN(C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000053858052 174027831 /nfs/dbraw/zinc/02/78/31/174027831.db2.gz VGTQVAWQOUOVBY-AAEUAGOBSA-N 1 3 226.364 1.615 10 0 BDAEHO COCC[N@H+](C)[C@@H]1CCCCCC[C@@H]1N ZINC000042458932 174281914 /nfs/dbraw/zinc/28/19/14/174281914.db2.gz GIIZPBBOTYQFSM-NWDGAFQWSA-N 1 3 214.353 1.615 10 0 BDAEHO COCC[N@@H+](C)[C@@H]1CCCCCC[C@@H]1N ZINC000042458932 174281917 /nfs/dbraw/zinc/28/19/17/174281917.db2.gz GIIZPBBOTYQFSM-NWDGAFQWSA-N 1 3 214.353 1.615 10 0 BDAEHO COCCN(Cc1ccc(C(N)=[NH2+])cc1)C1CC1 ZINC000042518455 174299485 /nfs/dbraw/zinc/29/94/85/174299485.db2.gz MSRYUUPYVNPFBP-UHFFFAOYSA-N 1 3 247.342 1.581 10 0 BDAEHO COCC[N@H+]([C@H](C)C1CC1)[C@@H]1CCC[C@@H]1CN ZINC000042614426 174302777 /nfs/dbraw/zinc/30/27/77/174302777.db2.gz MOEAILRIQYRNIK-MRVWCRGKSA-N 1 3 240.391 1.861 10 0 BDAEHO COCC[N@@H+]([C@H](C)C1CC1)[C@@H]1CCC[C@@H]1CN ZINC000042614426 174302779 /nfs/dbraw/zinc/30/27/79/174302779.db2.gz MOEAILRIQYRNIK-MRVWCRGKSA-N 1 3 240.391 1.861 10 0 BDAEHO COc1ccc(CN(C)[C@@H](C)CC[NH3+])cc1 ZINC000042441476 175096492 /nfs/dbraw/zinc/09/64/92/175096492.db2.gz MTUBWXLNSZCAOS-NSHDSACASA-N 1 3 222.332 1.864 10 0 BDAEHO COc1ccc(C[NH2+]C[C@@H]2CCN(C)C2)cc1 ZINC000037645817 175107279 /nfs/dbraw/zinc/10/72/79/175107279.db2.gz WFLRBKVWLUFSAT-ZDUSSCGKSA-N 1 3 234.343 1.737 10 0 BDAEHO COc1ccc(C[C@@H](CN)C[NH+]2CCCC2)cc1 ZINC000011800180 175115760 /nfs/dbraw/zinc/11/57/60/175115760.db2.gz AQCNSUVWEINQFV-AWEZNQCLSA-N 1 3 248.370 1.908 10 0 BDAEHO CSC1(C[NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000564823508 322931421 /nfs/dbraw/zinc/93/14/21/322931421.db2.gz ABXQVZZDHRJJRT-MNOVXSKESA-N 1 3 228.405 1.860 10 0 BDAEHO C[C@@H]1CCC[C@@H]([NH2+]CCN(C)CCN(C)C)C1 ZINC000104202163 176123692 /nfs/dbraw/zinc/12/36/92/176123692.db2.gz NZXJDYRKXTUFOD-ZIAGYGMSSA-N 1 3 241.423 1.648 10 0 BDAEHO C[C@@H]1CC[C@H](O)[C@H](CN(C)CCC[NH+](C)C)C1 ZINC000104189027 176235299 /nfs/dbraw/zinc/23/52/99/176235299.db2.gz NQYJPDJYSJUYGV-RDBSUJKOSA-N 1 3 242.407 1.667 10 0 BDAEHO C[C@@H]1C[NH+]=C(NC[C@@H]2CCN(C)C2)S1 ZINC000037485233 176324584 /nfs/dbraw/zinc/32/45/84/176324584.db2.gz XHRQKRWYRLLKGD-BDAKNGLRSA-N 1 3 213.350 1.019 10 0 BDAEHO C[C@@H]1CSC(NC[C@@H]2CCCN(C)C2)=[NH+]1 ZINC000044538326 176348978 /nfs/dbraw/zinc/34/89/78/176348978.db2.gz LHHKXIFFQPXGAT-ZJUUUORDSA-N 1 3 227.377 1.409 10 0 BDAEHO C[C@H](c1cnccn1)N(C)CC1CC[NH2+]CC1 ZINC000094010856 177051606 /nfs/dbraw/zinc/05/16/06/177051606.db2.gz KSWDIRNDULNFOB-LLVKDONJSA-N 1 3 234.347 1.469 10 0 BDAEHO C[C@@H]1CN(C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000055144210 177242757 /nfs/dbraw/zinc/24/27/57/177242757.db2.gz SPUNAZQUSHKSBT-ZYANWLCNSA-N 1 3 212.337 1.366 10 0 BDAEHO C[C@H]1C[NH+]=C(NC[C@@H]2CCCN(C)C2)S1 ZINC000044538316 177281497 /nfs/dbraw/zinc/28/14/97/177281497.db2.gz SRCNHYBCDYBNQM-UWVGGRQHSA-N 1 3 227.377 1.409 10 0 BDAEHO C[C@H]1C[NH2+]C[C@H](C)CN(CCc2ccccn2)C1 ZINC000049666561 177285281 /nfs/dbraw/zinc/28/52/81/177285281.db2.gz OOSLKUOTXNVDSL-KBPBESRZSA-N 1 3 247.386 1.802 10 0 BDAEHO C[C@H]1C[NH2+]C[C@H](C)CN(C[C@@H]2CCCCO2)C1 ZINC000042824655 177285992 /nfs/dbraw/zinc/28/59/92/177285992.db2.gz UXINUUZTIJIZFB-IHRRRGAJSA-N 1 3 240.391 1.733 10 0 BDAEHO C[C@H](NC[C@H]1CCCCS1)[C@H]1CC[NH2+]C1 ZINC000400341725 226341263 /nfs/dbraw/zinc/34/12/63/226341263.db2.gz GWQIJGXDNHTFLF-SDDRHHMPSA-N 1 3 228.405 1.860 10 0 BDAEHO C[C@@H](N[C@H](CO)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400512111 226345213 /nfs/dbraw/zinc/34/52/13/226345213.db2.gz FQWSERZPJKDPBH-SNPRPXQTSA-N 1 3 248.370 1.178 10 0 BDAEHO CC[C@H](O)CC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000566555657 323004793 /nfs/dbraw/zinc/00/47/93/323004793.db2.gz HHSTZZZSDOQOFC-WOPDTQHZSA-N 1 3 214.353 1.125 10 0 BDAEHO CC[C@H](O)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566555657 323004794 /nfs/dbraw/zinc/00/47/94/323004794.db2.gz HHSTZZZSDOQOFC-WOPDTQHZSA-N 1 3 214.353 1.125 10 0 BDAEHO C[C@H]([NH2+]CC[C@H]1CCCN1C)[C@H]1CCCO1 ZINC000248577709 323025643 /nfs/dbraw/zinc/02/56/43/323025643.db2.gz HUJJEEFBVASECJ-YNEHKIRRSA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@H](NCC[C@H]1CCC[N@@H+]1C)[C@H]1CCCO1 ZINC000248577709 323025644 /nfs/dbraw/zinc/02/56/44/323025644.db2.gz HUJJEEFBVASECJ-YNEHKIRRSA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@H](NCC[C@H]1CCC[N@H+]1C)[C@H]1CCCO1 ZINC000248577709 323025645 /nfs/dbraw/zinc/02/56/45/323025645.db2.gz HUJJEEFBVASECJ-YNEHKIRRSA-N 1 3 226.364 1.628 10 0 BDAEHO C[C@H](O)[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000570515670 323061496 /nfs/dbraw/zinc/06/14/96/323061496.db2.gz NROIECFBRJLLSK-AVGNSLFASA-N 1 3 226.364 1.079 10 0 BDAEHO C[C@H](O)[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000570515670 323061497 /nfs/dbraw/zinc/06/14/97/323061497.db2.gz NROIECFBRJLLSK-AVGNSLFASA-N 1 3 226.364 1.079 10 0 BDAEHO C[C@H](O)[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000570515670 323061498 /nfs/dbraw/zinc/06/14/98/323061498.db2.gz NROIECFBRJLLSK-AVGNSLFASA-N 1 3 226.364 1.079 10 0 BDAEHO C[C@H]([NH2+]CC[C@@H]1CCCCO1)[C@@H]1CCCNC1 ZINC000571157290 323136991 /nfs/dbraw/zinc/13/69/91/323136991.db2.gz BKFBDRVILPPKOP-MJBXVCDLSA-N 1 3 240.391 1.923 10 0 BDAEHO CCN1CCC[C@H](N[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000566732241 326076876 /nfs/dbraw/zinc/07/68/76/326076876.db2.gz LIQXWTIHPMPEHH-RDBSUJKOSA-N 1 3 239.407 1.448 10 0 BDAEHO C[C@H]([NH2+]CCC1(O)CCC1)[C@@H]1CCCNC1 ZINC000567639298 326236678 /nfs/dbraw/zinc/23/66/78/326236678.db2.gz FIFJFHRFDORPAK-NWDGAFQWSA-N 1 3 226.364 1.269 10 0 BDAEHO C[C@H](NCCC1(O)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000567639298 326236679 /nfs/dbraw/zinc/23/66/79/326236679.db2.gz FIFJFHRFDORPAK-NWDGAFQWSA-N 1 3 226.364 1.269 10 0 BDAEHO Cc1ccc(CCN[C@@H](C)[C@@H]2CC[NH2+]C2)o1 ZINC000568618536 326367932 /nfs/dbraw/zinc/36/79/32/326367932.db2.gz KTKISMTVBFQRPO-NWDGAFQWSA-N 1 3 222.332 1.718 10 0 BDAEHO OCC[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000220371344 487980676 /nfs/dbraw/zinc/98/06/76/487980676.db2.gz VYXXIGQJYFKZDW-CHWSQXEVSA-N 1 3 226.364 1.080 10 0 BDAEHO OCC[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000220371344 487980682 /nfs/dbraw/zinc/98/06/82/487980682.db2.gz VYXXIGQJYFKZDW-CHWSQXEVSA-N 1 3 226.364 1.080 10 0 BDAEHO OCC[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000220371344 487980684 /nfs/dbraw/zinc/98/06/84/487980684.db2.gz VYXXIGQJYFKZDW-CHWSQXEVSA-N 1 3 226.364 1.080 10 0 BDAEHO CCCN1CC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000389517737 488099468 /nfs/dbraw/zinc/09/94/68/488099468.db2.gz GICPTFAOQLQQNW-STQMWFEESA-N 1 3 225.380 1.202 10 0 BDAEHO CC(C)[N@H+](C)C[C@H](O)CNC1(C(C)C)CC1 ZINC000379448699 488137401 /nfs/dbraw/zinc/13/74/01/488137401.db2.gz INEINAWZDIYDFN-GFCCVEGCSA-N 1 3 228.380 1.466 10 0 BDAEHO CC(C)[N@@H+](C)C[C@H](O)CNC1(C(C)C)CC1 ZINC000379448699 488137405 /nfs/dbraw/zinc/13/74/05/488137405.db2.gz INEINAWZDIYDFN-GFCCVEGCSA-N 1 3 228.380 1.466 10 0 BDAEHO C[NH2+][C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000054076155 488206414 /nfs/dbraw/zinc/20/64/14/488206414.db2.gz HBYDNOYEHUIGGT-AAEUAGOBSA-N 1 3 249.358 1.013 10 0 BDAEHO N[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000086403429 490414469 /nfs/dbraw/zinc/41/44/69/490414469.db2.gz YVIHUZFQQRTMJU-UTUOFQBUSA-N 1 3 212.337 1.415 10 0 BDAEHO COC1(C[N@@H+]2CC[C@H]2CN)CCCCC1 ZINC000757143704 582523989 /nfs/dbraw/zinc/52/39/89/582523989.db2.gz HMXQPKOHSJUPNM-NSHDSACASA-N 1 3 212.337 1.369 10 0 BDAEHO COC1(C[N@H+]2CC[C@H]2CN)CCCCC1 ZINC000757143704 582523992 /nfs/dbraw/zinc/52/39/92/582523992.db2.gz HMXQPKOHSJUPNM-NSHDSACASA-N 1 3 212.337 1.369 10 0 BDAEHO CCN1CCC2(CC1)[NH2+]CCC(C)(C)O2 ZINC000757146385 582529540 /nfs/dbraw/zinc/52/95/40/582529540.db2.gz KJHYNDFTIGWYOA-UHFFFAOYSA-N 1 3 212.337 1.587 10 0 BDAEHO C[C@H](NCCc1cccs1)[C@H]1CC[NH2+]C1 ZINC000400436802 533875477 /nfs/dbraw/zinc/87/54/77/533875477.db2.gz MWRFOCJQVYKQDS-QWRGUYRKSA-N 1 3 224.373 1.878 10 0 BDAEHO CN(CCC[NH+]1CCCC1)[C@@H]1CCCC[C@H]1O ZINC000252921702 536346465 /nfs/dbraw/zinc/34/64/65/536346465.db2.gz HMJUIGKJIBSYIM-ZIAGYGMSSA-N 1 3 240.391 1.708 10 0 BDAEHO CC(C)(C)C[C@H](O)C[NH2+]C1CCNCC1 ZINC000226068284 534649514 /nfs/dbraw/zinc/64/95/14/534649514.db2.gz OUHOETPWJJFEGW-NSHDSACASA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)(C)C[C@H](O)CNC1CC[NH2+]CC1 ZINC000226068284 534649518 /nfs/dbraw/zinc/64/95/18/534649518.db2.gz OUHOETPWJJFEGW-NSHDSACASA-N 1 3 214.353 1.125 10 0 BDAEHO CC(C)(C)C[C@H](O)CN[C@@H]1CCC[NH2+]CC1 ZINC000226066176 534651424 /nfs/dbraw/zinc/65/14/24/534651424.db2.gz GXOHUCHONGBMCS-NEPJUHHUSA-N 1 3 228.380 1.515 10 0 BDAEHO CC(C)CSCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400466932 528226944 /nfs/dbraw/zinc/22/69/44/528226944.db2.gz WHORPRQFAJPTEH-RYUDHWBXSA-N 1 3 230.421 1.963 10 0 BDAEHO CCSCCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400509334 529178287 /nfs/dbraw/zinc/17/82/87/529178287.db2.gz ITSVFCZNSQHBOU-QWRGUYRKSA-N 1 3 216.394 1.717 10 0 BDAEHO CC(C)[C@H](CN[C@@H]1CC[NH2+]C1)N1CCCC1 ZINC000086725754 535019770 /nfs/dbraw/zinc/01/97/70/535019770.db2.gz COKCTRHCJQRYQH-OLZOCXBDSA-N 1 3 225.380 1.058 10 0 BDAEHO CC(C)N1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000036170426 535201081 /nfs/dbraw/zinc/20/10/81/535201081.db2.gz RCYZMFTWHVXKTD-UHFFFAOYSA-N 1 3 234.347 1.071 10 0 BDAEHO CCC1(C[NH2+][C@@H]2CCNC[C@H]2C)CCOCC1 ZINC000261544976 535297165 /nfs/dbraw/zinc/29/71/65/535297165.db2.gz FLLJQPJDYLIEQN-CHWSQXEVSA-N 1 3 240.391 1.781 10 0 BDAEHO C[C@@H]1[NH2+]CCC[C@@]12CCCN2CCN(C)C ZINC000757134175 582510667 /nfs/dbraw/zinc/51/06/67/582510667.db2.gz WLUJOXCGSLKXBQ-QWHCGFSZSA-N 1 3 225.380 1.155 10 0 BDAEHO CCN1CCC2(CC1)[NH2+][C@H](C)C1(CC1)CO2 ZINC000757144993 582526213 /nfs/dbraw/zinc/52/62/13/582526213.db2.gz OAAQWKKOHHMMIR-LLVKDONJSA-N 1 3 224.348 1.587 10 0 BDAEHO CC(=O)c1ccc([C@H]2C[NH2+]CC[C@@H]2N)cc1 ZINC000757213425 586439909 /nfs/dbraw/zinc/43/99/09/586439909.db2.gz KEIGGQGJKMKQHU-OLZOCXBDSA-N 1 3 218.300 1.293 10 0 BDAEHO CC(=O)c1ccc([C@H]2CNCC[C@@H]2[NH3+])cc1 ZINC000757213425 586439910 /nfs/dbraw/zinc/43/99/10/586439910.db2.gz KEIGGQGJKMKQHU-OLZOCXBDSA-N 1 3 218.300 1.293 10 0 BDAEHO CC[C@H]([NH2+]C1CCNCC1)[C@@H]1CCCOC1 ZINC000724009752 711555401 /nfs/dbraw/zinc/55/54/01/711555401.db2.gz NZAZDPZTOHLIHN-YPMHNXCESA-N 1 3 226.364 1.533 10 0 BDAEHO CN(C[C@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]CC1 ZINC000708347534 712190065 /nfs/dbraw/zinc/19/00/65/712190065.db2.gz JCSZGUFZCCTWPG-CHWSQXEVSA-N 1 3 240.391 1.875 10 0 BDAEHO CC1(C)CO[C@H](CC[NH2+]C2CCNCC2)C1 ZINC000717271353 712642024 /nfs/dbraw/zinc/64/20/24/712642024.db2.gz RZAOCMXNZYNXSR-GFCCVEGCSA-N 1 3 226.364 1.533 10 0 BDAEHO C(NC1CC[NH2+]CC1)[C@@H]1CC[C@H](C2CC2)O1 ZINC000722312391 711734707 /nfs/dbraw/zinc/73/47/07/711734707.db2.gz KUMWMRSDBFXJST-QWHCGFSZSA-N 1 3 224.348 1.286 10 0 BDAEHO C([NH2+]C1CCNCC1)[C@@H]1CC[C@H](C2CC2)O1 ZINC000722312391 711734709 /nfs/dbraw/zinc/73/47/09/711734709.db2.gz KUMWMRSDBFXJST-QWHCGFSZSA-N 1 3 224.348 1.286 10 0 BDAEHO CN(C[C@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]CC1 ZINC000708347536 712190222 /nfs/dbraw/zinc/19/02/22/712190222.db2.gz JCSZGUFZCCTWPG-QWHCGFSZSA-N 1 3 240.391 1.875 10 0 BDAEHO Cc1c(CN(C)CCCCCC[NH3+])cnn1C ZINC000710817451 712257104 /nfs/dbraw/zinc/25/71/04/712257104.db2.gz ADKDFQYSVBGRKD-UHFFFAOYSA-N 1 3 238.379 1.679 10 0 BDAEHO CCC1([NH3+])CCN([C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000714752967 712497145 /nfs/dbraw/zinc/49/71/45/712497145.db2.gz GKRXJSHOUNHGAW-SDDRHHMPSA-N 1 3 226.364 1.756 10 0 BDAEHO C([C@@H]1CCCO1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715014248 712504240 /nfs/dbraw/zinc/50/42/40/712504240.db2.gz UOHZXENCGOEMBW-AGIUHOORSA-N 1 3 224.348 1.239 10 0 BDAEHO C[C@H](NC[C@@H]1CC(C)(C)CO1)[C@@H]1CC[NH2+]C1 ZINC000717613167 712662279 /nfs/dbraw/zinc/66/22/79/712662279.db2.gz ICADVLDTGLESLC-TUAOUCFPSA-N 1 3 226.364 1.389 10 0 BDAEHO