smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000566090504 376345905 /nfs/dbraw/zinc/34/59/05/376345905.db2.gz ILBLCWLEUZETQO-LSDHHAIUSA-N 2 3 341.500 -0.476 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000643509548 381928054 /nfs/dbraw/zinc/92/80/54/381928054.db2.gz PHBVVUOGUIZANL-LSDHHAIUSA-N 2 3 339.484 -0.851 20 0 EBADHP C[C@H](CNC(=O)C[C@]1(C(=O)NC[C@H](C)N(C)C)CC[NH2+]C1)[NH+](C)C ZINC000262047474 154210782 /nfs/dbraw/zinc/21/07/82/154210782.db2.gz URHGMIQRIJWZCK-JKIFEVAISA-N 2 3 341.500 -0.511 20 0 EBADHP C[C@H](CNC(=O)C[C@]1(C(=O)NC[C@H](C)[NH+](C)C)CC[NH2+]C1)N(C)C ZINC000262047474 154210784 /nfs/dbraw/zinc/21/07/84/154210784.db2.gz URHGMIQRIJWZCK-JKIFEVAISA-N 2 3 341.500 -0.511 20 0 EBADHP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)O1 ZINC001220481350 811122000 /nfs/dbraw/zinc/12/20/00/811122000.db2.gz DRJPCLGEUWSJCQ-UTGUJQJDSA-N 2 3 326.441 -0.974 20 0 EBADHP NC1=CC=C(C2CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2)[NH2+]C1 ZINC001221392391 811448938 /nfs/dbraw/zinc/44/89/38/811448938.db2.gz LPZXREFHBIDSDT-ZDUSSCGKSA-N 2 3 325.482 -0.426 20 0 EBADHP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](N)CSCC[NH3+] ZINC001159929968 831798301 /nfs/dbraw/zinc/79/83/01/831798301.db2.gz MPFXMOLGACOTAS-MELADBBJSA-N 2 3 329.514 -0.758 20 0 EBADHP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C2)CC1 ZINC001161377554 831951963 /nfs/dbraw/zinc/95/19/63/831951963.db2.gz HORAIAAPVHUHNX-HOTGVXAUSA-N 2 3 335.496 -0.115 20 0 EBADHP C[NH2+][C@H]1CCCN(CC(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)C1 ZINC001161448814 831959089 /nfs/dbraw/zinc/95/90/89/831959089.db2.gz HTJNEJBKVIIMHK-HOTGVXAUSA-N 2 3 325.501 -0.188 20 0 EBADHP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)CN2CCN(C)CC2)CC1 ZINC001331960061 841538994 /nfs/dbraw/zinc/53/89/94/841538994.db2.gz PXLGHXFQMUQNJN-SFHVURJKSA-N 2 3 341.544 -0.398 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000574181896 380704050 /nfs/dbraw/zinc/70/40/50/380704050.db2.gz ZPYVIZZKVLCLAQ-UHFFFAOYSA-N 2 3 339.484 -0.636 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000572111615 381640535 /nfs/dbraw/zinc/64/05/35/381640535.db2.gz MPHCNUWVJMCSAG-GJZGRUSLSA-N 2 3 339.484 -0.994 20 0 EBADHP CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000643509780 381928575 /nfs/dbraw/zinc/92/85/75/381928575.db2.gz SPRKBGOXTSMCCJ-HUUCEWRRSA-N 2 3 341.500 -0.476 20 0 EBADHP C[C@H](CNC(=O)[C@]1(CC(=O)NC[C@@H](C)[NH+](C)C)CC[NH2+]C1)N(C)C ZINC000262047472 154210408 /nfs/dbraw/zinc/21/04/08/154210408.db2.gz URHGMIQRIJWZCK-CPUCHLNUSA-N 2 3 341.500 -0.511 20 0 EBADHP C[C@H](CNC(=O)C[C@@]1(C(=O)NC[C@@H](C)[NH+](C)C)CC[NH2+]C1)N(C)C ZINC000262047472 154210410 /nfs/dbraw/zinc/21/04/10/154210410.db2.gz URHGMIQRIJWZCK-CPUCHLNUSA-N 2 3 341.500 -0.511 20 0 EBADHP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219812690 810857772 /nfs/dbraw/zinc/85/77/72/810857772.db2.gz GSDMSEABFNMZND-VKJFTORMSA-N 2 3 336.480 -0.197 20 0 EBADHP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219812690 810857780 /nfs/dbraw/zinc/85/77/80/810857780.db2.gz GSDMSEABFNMZND-VKJFTORMSA-N 2 3 336.480 -0.197 20 0 EBADHP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219812690 810857789 /nfs/dbraw/zinc/85/77/89/810857789.db2.gz GSDMSEABFNMZND-VKJFTORMSA-N 2 3 336.480 -0.197 20 0 EBADHP C[NH2+]CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220077818 810973226 /nfs/dbraw/zinc/97/32/26/810973226.db2.gz XNFGOCSHUNVWCC-KBPBESRZSA-N 2 3 327.473 -0.451 20 0 EBADHP [NH3+]CCOCCOCCOCCOCCNC1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246212909 812568337 /nfs/dbraw/zinc/56/83/37/812568337.db2.gz SLGPWDCOTCDEES-SJPCQFCGSA-N 2 3 343.468 -0.340 20 0 EBADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]1C2 ZINC001160795257 831888160 /nfs/dbraw/zinc/88/81/60/831888160.db2.gz VTPZEDODHXECEV-RBUCKAEESA-N 2 3 338.452 -0.700 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000642912355 376712073 /nfs/dbraw/zinc/71/20/73/376712073.db2.gz AQOZMCFTFIPMNH-KGLIPLIRSA-N 2 3 327.473 -0.676 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000642912357 376713165 /nfs/dbraw/zinc/71/31/65/376713165.db2.gz AQOZMCFTFIPMNH-ZIAGYGMSSA-N 2 3 327.473 -0.676 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627440566 379597147 /nfs/dbraw/zinc/59/71/47/379597147.db2.gz NZEBPHODVJDILZ-CQSZACIVSA-N 2 3 339.484 -0.661 20 0 EBADHP C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000572228468 381652447 /nfs/dbraw/zinc/65/24/47/381652447.db2.gz XKIJWRHIVHUCEN-HUUCEWRRSA-N 2 3 341.500 -0.558 20 0 EBADHP C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000643509650 381928150 /nfs/dbraw/zinc/92/81/50/381928150.db2.gz DNFTVSSWPXXFMV-GJZGRUSLSA-N 2 3 341.500 -0.619 20 0 EBADHP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000519640843 419535665 /nfs/dbraw/zinc/53/56/65/419535665.db2.gz JGKIQYRPDXOZRF-HNNXBMFYSA-N 2 3 341.500 -0.604 20 0 EBADHP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000519640843 419535670 /nfs/dbraw/zinc/53/56/70/419535670.db2.gz JGKIQYRPDXOZRF-HNNXBMFYSA-N 2 3 341.500 -0.604 20 0 EBADHP COCCN(C)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875216143 584494014 /nfs/dbraw/zinc/49/40/14/584494014.db2.gz PWCSZLHTXIHOAW-HZPDHXFCSA-N 2 3 343.516 -0.055 20 0 EBADHP COc1cc2c(cc1NC(=O)[C@@H](N)CCC[NH3+])NC(=O)[C@]21CC[NH2+]C1 ZINC001219497416 810721730 /nfs/dbraw/zinc/72/17/30/810721730.db2.gz CBIXAWFJYFBPAO-GTNSWQLSSA-N 2 3 347.419 -0.117 20 0 EBADHP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C[NH2+]1 ZINC001219586849 810760559 /nfs/dbraw/zinc/76/05/59/810760559.db2.gz GUWSFMDLRVGCOW-AJNGGQMLSA-N 2 3 339.484 -0.310 20 0 EBADHP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)O1 ZINC001220481899 811123659 /nfs/dbraw/zinc/12/36/59/811123659.db2.gz VMXGMFRFEPWRLZ-IXYNUQLISA-N 2 3 340.468 -0.298 20 0 EBADHP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2C[NH2+]CC23CNC3)c2ccncn2)CC1 ZINC001220941218 811304536 /nfs/dbraw/zinc/30/45/36/811304536.db2.gz NGXJAQQGSDIWBX-MGPQQGTHSA-N 2 3 330.436 -0.112 20 0 EBADHP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC001221388567 811449751 /nfs/dbraw/zinc/44/97/51/811449751.db2.gz DLPQWRJGXYSZOE-STQMWFEESA-N 2 3 342.488 -0.072 20 0 EBADHP N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1)C1CC[NH2+]CC1 ZINC001157379155 831563307 /nfs/dbraw/zinc/56/33/07/831563307.db2.gz IMWMRCXXAHTSEX-LSDHHAIUSA-N 2 3 339.484 -0.451 20 0 EBADHP O=C([C@@H]1CCCN(C2CC[NH2+]CC2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166980 831634462 /nfs/dbraw/zinc/63/44/62/831634462.db2.gz FVFYYVGXOXDIDQ-BFYDXBDKSA-N 2 3 336.480 -0.103 20 0 EBADHP O=C([C@@H]1CCC[N@@H+](C2CCNCC2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166980 831634465 /nfs/dbraw/zinc/63/44/65/831634465.db2.gz FVFYYVGXOXDIDQ-BFYDXBDKSA-N 2 3 336.480 -0.103 20 0 EBADHP O=C([C@@H]1CCC[N@H+](C2CCNCC2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166980 831634469 /nfs/dbraw/zinc/63/44/69/831634469.db2.gz FVFYYVGXOXDIDQ-BFYDXBDKSA-N 2 3 336.480 -0.103 20 0 EBADHP N[C@H](C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC001158277172 831642782 /nfs/dbraw/zinc/64/27/82/831642782.db2.gz LNXKFPHPIXGJOQ-AWEZNQCLSA-N 2 3 333.440 -0.974 20 0 EBADHP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001159134318 831710712 /nfs/dbraw/zinc/71/07/12/831710712.db2.gz MMAXNRKJYFJVFW-CZUORRHYSA-N 2 3 334.468 -0.270 20 0 EBADHP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001159134039 831711514 /nfs/dbraw/zinc/71/15/14/831711514.db2.gz MCVKAYUFGMFTCT-UONOGXRCSA-N 2 3 332.452 -0.788 20 0 EBADHP COc1cc(C)nc(N(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)C2CC[NH2+]CC2)n1 ZINC001161308436 831946421 /nfs/dbraw/zinc/94/64/21/831946421.db2.gz CNVNNMSORWFVOE-YPMHNXCESA-N 2 3 334.424 -0.432 20 0 EBADHP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161448347 831958911 /nfs/dbraw/zinc/95/89/11/831958911.db2.gz BRSJLDYCPNSDOO-SOUVJXGZSA-N 2 3 326.441 -0.720 20 0 EBADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000573206593 380664114 /nfs/dbraw/zinc/66/41/14/380664114.db2.gz GKZCDXLKJXWXHK-GJZGRUSLSA-N 2 3 339.484 -0.497 20 0 EBADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000573206593 380664119 /nfs/dbraw/zinc/66/41/19/380664119.db2.gz GKZCDXLKJXWXHK-GJZGRUSLSA-N 2 3 339.484 -0.497 20 0 EBADHP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000572951454 380650417 /nfs/dbraw/zinc/65/04/17/380650417.db2.gz VQMVYNPLDNDKCC-AWEZNQCLSA-N 2 3 341.500 -0.476 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643509772 381928260 /nfs/dbraw/zinc/92/82/60/381928260.db2.gz SCFMJUCNMPGQHS-LSDHHAIUSA-N 2 3 339.484 -0.851 20 0 EBADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000863548700 584372952 /nfs/dbraw/zinc/37/29/52/584372952.db2.gz VWAGDGASODFHEM-SOUVJXGZSA-N 2 3 336.436 -0.236 20 0 EBADHP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219831623 810867007 /nfs/dbraw/zinc/86/70/07/810867007.db2.gz QYCYBSJSGWBKFU-SRABZTEZSA-N 2 3 336.480 -0.057 20 0 EBADHP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219831623 810867014 /nfs/dbraw/zinc/86/70/14/810867014.db2.gz QYCYBSJSGWBKFU-SRABZTEZSA-N 2 3 336.480 -0.057 20 0 EBADHP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219831623 810867018 /nfs/dbraw/zinc/86/70/18/810867018.db2.gz QYCYBSJSGWBKFU-SRABZTEZSA-N 2 3 336.480 -0.057 20 0 EBADHP CN1CCN(C[C@H](O)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC001261436601 812905739 /nfs/dbraw/zinc/90/57/39/812905739.db2.gz GJLXDGRNKPQBOD-MRXNPFEDSA-N 2 3 327.517 -0.790 20 0 EBADHP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001159132994 831710863 /nfs/dbraw/zinc/71/08/63/831710863.db2.gz GLLVKMMZDMRUCT-HDMKZQKVSA-N 2 3 346.479 -0.398 20 0 EBADHP N[C@H](CCC[NH3+])C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403205 831750357 /nfs/dbraw/zinc/75/03/57/831750357.db2.gz NIKGLOGMRQGLFJ-BYNSBNAKSA-N 2 3 348.451 -0.500 20 0 EBADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](N)CC[S@@](C)=O ZINC001160627810 831871951 /nfs/dbraw/zinc/87/19/51/831871951.db2.gz HCTXUZXZKSFJNX-RCDICMHDSA-N 2 3 334.530 -0.186 20 0 EBADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](N)CC[S@](C)=O ZINC001160627809 831872381 /nfs/dbraw/zinc/87/23/81/831872381.db2.gz HCTXUZXZKSFJNX-FPTDNZKUSA-N 2 3 334.530 -0.186 20 0 EBADHP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001161529472 831970152 /nfs/dbraw/zinc/97/01/52/831970152.db2.gz DPEZIIFHGYZNPG-RFGFWPKPSA-N 2 3 325.457 -0.618 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000642912356 376713678 /nfs/dbraw/zinc/71/36/78/376713678.db2.gz AQOZMCFTFIPMNH-UONOGXRCSA-N 2 3 327.473 -0.676 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000562958236 377061148 /nfs/dbraw/zinc/06/11/48/377061148.db2.gz MJFXKTGLJAKMEH-OAHLLOKOSA-N 2 3 341.500 -0.474 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000643509546 381928313 /nfs/dbraw/zinc/92/83/13/381928313.db2.gz PHBVVUOGUIZANL-GJZGRUSLSA-N 2 3 339.484 -0.851 20 0 EBADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903778483 582820157 /nfs/dbraw/zinc/82/01/57/582820157.db2.gz NNECXIQKLBKNAL-HNLJFRNMSA-N 2 3 336.436 -0.378 20 0 EBADHP CN(C)CCOCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875524063 584500176 /nfs/dbraw/zinc/50/01/76/584500176.db2.gz RENCPYMZZFLMOF-HZPDHXFCSA-N 2 3 343.516 -0.055 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911492508 650188734 /nfs/dbraw/zinc/18/87/34/650188734.db2.gz FJOCLIDWTVIBOS-KGLIPLIRSA-N 2 3 327.473 -0.818 20 0 EBADHP C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@@H]1C[NH3+] ZINC000926329688 650385878 /nfs/dbraw/zinc/38/58/78/650385878.db2.gz GZWAAQFZOAPMMJ-HUUCEWRRSA-N 2 3 341.500 -0.619 20 0 EBADHP NC[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219722501 810808993 /nfs/dbraw/zinc/80/89/93/810808993.db2.gz BLMUYLLEHXKKES-SJORKVTESA-N 2 3 345.491 -0.110 20 0 EBADHP NC[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219722501 810808999 /nfs/dbraw/zinc/80/89/99/810808999.db2.gz BLMUYLLEHXKKES-SJORKVTESA-N 2 3 345.491 -0.110 20 0 EBADHP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)O1 ZINC001220481251 811122297 /nfs/dbraw/zinc/12/22/97/811122297.db2.gz ASCUOQFYRGBQOK-DSJMHWKBSA-N 2 3 330.473 -0.113 20 0 EBADHP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H]1Cc2ccccc2CN1 ZINC001236309667 812517076 /nfs/dbraw/zinc/51/70/76/812517076.db2.gz OGFPLNYIWGAMGJ-KRWDZBQOSA-N 2 3 333.480 -0.183 20 0 EBADHP OC1(CN2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)CC[NH2+]CC1 ZINC001246030974 812560013 /nfs/dbraw/zinc/56/00/13/812560013.db2.gz GEKNNAPYMBFJLZ-UHFFFAOYSA-N 2 3 337.468 -0.426 20 0 EBADHP O=C1NCC[C@@]12C[N@@H+](C1CCC3(CC1)C[NH2+]CCO3)CC21CNC1 ZINC001246623268 812576877 /nfs/dbraw/zinc/57/68/77/812576877.db2.gz BQJAKUOXAOICOG-IUPXNIOVSA-N 2 3 334.464 -0.301 20 0 EBADHP O=C1NCC[C@@]12C[N@H+](C1CCC3(CC1)C[NH2+]CCO3)CC21CNC1 ZINC001246623268 812576882 /nfs/dbraw/zinc/57/68/82/812576882.db2.gz BQJAKUOXAOICOG-IUPXNIOVSA-N 2 3 334.464 -0.301 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187458 831637779 /nfs/dbraw/zinc/63/77/79/831637779.db2.gz QNIUDRJIVALMAR-CWVKQELPSA-N 2 3 337.468 -0.617 20 0 EBADHP N[C@@H](CCC[NH3+])C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403206 831749579 /nfs/dbraw/zinc/74/95/79/831749579.db2.gz NIKGLOGMRQGLFJ-ZQDZILKHSA-N 2 3 348.451 -0.500 20 0 EBADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780885 831885430 /nfs/dbraw/zinc/88/54/30/831885430.db2.gz YXYFHKNRDRQJCH-GJYPPUQNSA-N 2 3 326.444 -0.205 20 0 EBADHP COc1cc(C)nc(N(C(=O)[C@@H]2C[C@H](N)C[NH2+]2)C2CC[NH2+]CC2)n1 ZINC001161308435 831946227 /nfs/dbraw/zinc/94/62/27/831946227.db2.gz CNVNNMSORWFVOE-AAEUAGOBSA-N 2 3 334.424 -0.432 20 0 EBADHP CN(C)CCN(C(=O)CN(C)[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161447457 831958244 /nfs/dbraw/zinc/95/82/44/831958244.db2.gz XOFDPCALUZWROK-JKSUJKDBSA-N 2 3 325.501 -0.188 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000569211776 380633703 /nfs/dbraw/zinc/63/37/03/380633703.db2.gz HOFXMDKMINVOMC-QGZVFWFLSA-N 2 3 339.484 -0.850 20 0 EBADHP C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000572228469 381651217 /nfs/dbraw/zinc/65/12/17/381651217.db2.gz XKIJWRHIVHUCEN-LSDHHAIUSA-N 2 3 341.500 -0.558 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000515187296 419979080 /nfs/dbraw/zinc/97/90/80/419979080.db2.gz XDTNZOSWHNVUHH-UHFFFAOYSA-N 2 3 341.500 -0.556 20 0 EBADHP O[C@@]1(CN(CCN2CCOCC2)CC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001246059742 812562118 /nfs/dbraw/zinc/56/21/18/812562118.db2.gz CKPMSTJFTMZOPR-SFHVURJKSA-N 2 3 340.512 -0.265 20 0 EBADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@H]1CCOC3(CNC3)C1)C2 ZINC001246665571 812578993 /nfs/dbraw/zinc/57/89/93/812578993.db2.gz CHTMKDVBOCJNDJ-VAVSNJLASA-N 2 3 335.448 -0.162 20 0 EBADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@H]1CCOC3(CNC3)C1)C2 ZINC001246665571 812578999 /nfs/dbraw/zinc/57/89/99/812578999.db2.gz CHTMKDVBOCJNDJ-VAVSNJLASA-N 2 3 335.448 -0.162 20 0 EBADHP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001120446121 827224468 /nfs/dbraw/zinc/22/44/68/827224468.db2.gz VWSAFJXPCCYHJO-HUUCEWRRSA-N 2 3 341.500 -0.700 20 0 EBADHP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001159132521 831709870 /nfs/dbraw/zinc/70/98/70/831709870.db2.gz AGJBWLZDHLROAV-STQMWFEESA-N 2 3 340.497 -0.578 20 0 EBADHP CCOC(=O)[C@]12CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001160812116 831889968 /nfs/dbraw/zinc/88/99/68/831889968.db2.gz GLSVPPSDAWPAAH-CKEIUWERSA-N 2 3 338.452 -0.686 20 0 EBADHP COc1cc(C)nc(N(C(=O)[C@H](N)CCC[NH3+])C2CC[NH2+]CC2)n1 ZINC001161309149 831947006 /nfs/dbraw/zinc/94/70/06/831947006.db2.gz MEOZTFDAYOJLSP-CYBMUJFWSA-N 2 3 336.440 -0.055 20 0 EBADHP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C2)CC1 ZINC001161377556 831951955 /nfs/dbraw/zinc/95/19/55/831951955.db2.gz HORAIAAPVHUHNX-JKSUJKDBSA-N 2 3 335.496 -0.115 20 0 EBADHP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC2 ZINC001161475972 831962125 /nfs/dbraw/zinc/96/21/25/831962125.db2.gz ABHKBVFVXGXUNJ-GRDNDAEWSA-N 2 3 340.468 -0.201 20 0 EBADHP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@H]1C[NH+](C)C ZINC000870021231 1129265189 /nfs/dbraw/zinc/26/51/89/1129265189.db2.gz COJRZCZNVORYJI-ZACQAIPSSA-N 2 3 337.512 -0.426 20 0 EBADHP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)C[C@H]1C[NH+](C)C ZINC000870021228 1129265206 /nfs/dbraw/zinc/26/52/06/1129265206.db2.gz COJRZCZNVORYJI-BRWVUGGUSA-N 2 3 337.512 -0.426 20 0 EBADHP COC[C@@]1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCC[NH2+]1 ZINC000568975565 380623255 /nfs/dbraw/zinc/62/32/55/380623255.db2.gz KTGVGUILURPPAI-INIZCTEOSA-N 2 3 329.489 -0.110 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000571746916 381617490 /nfs/dbraw/zinc/61/74/90/381617490.db2.gz VWIHIZWNWFWRAN-QGZVFWFLSA-N 2 3 341.500 -0.556 20 0 EBADHP C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000572228467 381652042 /nfs/dbraw/zinc/65/20/42/381652042.db2.gz XKIJWRHIVHUCEN-GJZGRUSLSA-N 2 3 341.500 -0.558 20 0 EBADHP C[NH+](C)CCCC[C@H](N)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838420 810871104 /nfs/dbraw/zinc/87/11/04/810871104.db2.gz QADMALGSVZAKOQ-HLLBOEOZSA-N 2 3 342.484 -0.443 20 0 EBADHP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@H]2C[NH2+]CC23CNC3)COC1 ZINC001220020219 810950437 /nfs/dbraw/zinc/95/04/37/810950437.db2.gz AWQUJRUIPRPDDY-HNNXBMFYSA-N 2 3 330.432 -0.448 20 0 EBADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@@H]1CCOC3(CNC3)C1)C2 ZINC001246665565 812579033 /nfs/dbraw/zinc/57/90/33/812579033.db2.gz CHTMKDVBOCJNDJ-NSIVTLKISA-N 2 3 335.448 -0.162 20 0 EBADHP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@@H]1CCOC3(CNC3)C1)C2 ZINC001246665565 812579035 /nfs/dbraw/zinc/57/90/35/812579035.db2.gz CHTMKDVBOCJNDJ-NSIVTLKISA-N 2 3 335.448 -0.162 20 0 EBADHP N[C@H]1C[NH2+][C@H](C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)C1 ZINC001158903624 831694583 /nfs/dbraw/zinc/69/45/83/831694583.db2.gz NZGLBGQGISJKDL-ALYFQZSWSA-N 2 3 349.410 -0.236 20 0 EBADHP N[C@H]1C[NH2+][C@H](C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)C1 ZINC001158903626 831694794 /nfs/dbraw/zinc/69/47/94/831694794.db2.gz NZGLBGQGISJKDL-CXUUEIJPSA-N 2 3 349.410 -0.236 20 0 EBADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H](N)CCCNC(N)=O ZINC001160629254 831872357 /nfs/dbraw/zinc/87/23/57/831872357.db2.gz LMMBRPDFFQRFDA-CQSZACIVSA-N 2 3 344.504 -0.506 20 0 EBADHP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219577 831937672 /nfs/dbraw/zinc/93/76/72/831937672.db2.gz RILQTBMELLWYRQ-AIEDFZFUSA-N 2 3 337.468 -0.890 20 0 EBADHP COc1ccnc(N(C(=O)[C@H]2C[NH2+]CC23CNC3)C2CC[NH2+]CC2)c1 ZINC001161386595 831952758 /nfs/dbraw/zinc/95/27/58/831952758.db2.gz SHZDQHWMSGDBLB-OAHLLOKOSA-N 2 3 345.447 -0.016 20 0 EBADHP C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000583746992 381132331 /nfs/dbraw/zinc/13/23/31/381132331.db2.gz JRRJSQRPQFYMPG-UONOGXRCSA-N 2 3 327.473 -0.866 20 0 EBADHP CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000643509779 381927926 /nfs/dbraw/zinc/92/79/26/381927926.db2.gz SPRKBGOXTSMCCJ-GJZGRUSLSA-N 2 3 341.500 -0.476 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643509769 381928660 /nfs/dbraw/zinc/92/86/60/381928660.db2.gz SCFMJUCNMPGQHS-CABCVRRESA-N 2 3 339.484 -0.851 20 0 EBADHP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000662337210 421085325 /nfs/dbraw/zinc/08/53/25/421085325.db2.gz KAOSHUBLMRCJFU-INIZCTEOSA-N 2 3 347.511 -0.096 20 0 EBADHP CN(C)CCCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867590367 584412059 /nfs/dbraw/zinc/41/20/59/584412059.db2.gz QLEQCQXHEMYSSM-HUUCEWRRSA-N 2 3 334.530 -0.061 20 0 EBADHP CC[NH+](CC)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219555889 810749399 /nfs/dbraw/zinc/74/93/99/810749399.db2.gz XBRBPONWBJMNER-GJZGRUSLSA-N 2 3 341.500 -0.108 20 0 EBADHP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219916271 810906970 /nfs/dbraw/zinc/90/69/70/810906970.db2.gz PPHOMWZUYFVYTK-RDBSUJKOSA-N 2 3 327.473 -0.500 20 0 EBADHP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)O1 ZINC001220481349 811121821 /nfs/dbraw/zinc/12/18/21/811121821.db2.gz DRJPCLGEUWSJCQ-AQDIXCGQSA-N 2 3 326.441 -0.974 20 0 EBADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CCN1CC[NH2+]CC1 ZINC001245978775 812557343 /nfs/dbraw/zinc/55/73/43/812557343.db2.gz FNMBBKATAXGGSC-JKSUJKDBSA-N 2 3 328.407 -0.310 20 0 EBADHP C[NH2+][C@H]1CCCN(CC(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)C1 ZINC001161448816 831959158 /nfs/dbraw/zinc/95/91/58/831959158.db2.gz HTJNEJBKVIIMHK-JKSUJKDBSA-N 2 3 325.501 -0.188 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000569677944 377087373 /nfs/dbraw/zinc/08/73/73/377087373.db2.gz KWPMOJDDCWEQSC-GJZGRUSLSA-N 2 3 341.500 -0.428 20 0 EBADHP C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000583746993 381133348 /nfs/dbraw/zinc/13/33/48/381133348.db2.gz JRRJSQRPQFYMPG-ZIAGYGMSSA-N 2 3 327.473 -0.866 20 0 EBADHP N[C@@H](CCC[NH3+])C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220871002 811275749 /nfs/dbraw/zinc/27/57/49/811275749.db2.gz RIWBLMKXWVDXNG-JTQLQIEISA-N 2 3 330.230 -0.184 20 0 EBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903336 811288415 /nfs/dbraw/zinc/28/84/15/811288415.db2.gz QHHBYPRPLUTYPS-LBPRGKRZSA-N 2 3 333.437 -0.854 20 0 EBADHP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001221254188 811428087 /nfs/dbraw/zinc/42/80/87/811428087.db2.gz IQDJEPGKAGEBLJ-KKUMJFAQSA-N 2 3 339.484 -0.498 20 0 EBADHP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001221254188 811428090 /nfs/dbraw/zinc/42/80/90/811428090.db2.gz IQDJEPGKAGEBLJ-KKUMJFAQSA-N 2 3 339.484 -0.498 20 0 EBADHP [NH3+]CCCOCCOCCOCCC[NH2+]C[C@@]1(O)CCCNC1 ZINC001245983803 812558718 /nfs/dbraw/zinc/55/87/18/812558718.db2.gz JHJJYNQELMNJMP-MRXNPFEDSA-N 2 3 333.473 -0.521 20 0 EBADHP CN(CCC[NH3+])CCC[NH2+][C@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246284777 812569872 /nfs/dbraw/zinc/56/98/72/812569872.db2.gz OVIXSTUGLHHLAW-KGLIPLIRSA-N 2 3 329.514 -0.490 20 0 EBADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@H]3CCOC4(CNC4)C3)C[C@H]1C2 ZINC001246874128 812592267 /nfs/dbraw/zinc/59/22/67/812592267.db2.gz VWVXBOQVANJNLO-VAVSNJLASA-N 2 3 335.448 -0.162 20 0 EBADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@H]3CCOC4(CNC4)C3)C[C@H]1C2 ZINC001246874128 812592273 /nfs/dbraw/zinc/59/22/73/812592273.db2.gz VWVXBOQVANJNLO-VAVSNJLASA-N 2 3 335.448 -0.162 20 0 EBADHP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001157344103 831556138 /nfs/dbraw/zinc/55/61/38/831556138.db2.gz FTCQBPMFOOLFOM-KBPBESRZSA-N 2 3 329.489 -0.158 20 0 EBADHP O=C([C@H]1C[NH2+]CC12CNC2)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161269602 831944037 /nfs/dbraw/zinc/94/40/37/831944037.db2.gz BGZBBFKDYMRXQG-JKSUJKDBSA-N 2 3 329.448 -0.029 20 0 EBADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000576637457 380779608 /nfs/dbraw/zinc/77/96/08/380779608.db2.gz ZIWYVWYZEXRJJD-IKGGRYGDSA-N 2 3 334.464 -0.296 20 0 EBADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000576637457 380779614 /nfs/dbraw/zinc/77/96/14/380779614.db2.gz ZIWYVWYZEXRJJD-IKGGRYGDSA-N 2 3 334.464 -0.296 20 0 EBADHP [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000576637457 380779620 /nfs/dbraw/zinc/77/96/20/380779620.db2.gz ZIWYVWYZEXRJJD-IKGGRYGDSA-N 2 3 334.464 -0.296 20 0 EBADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CNCCO1 ZINC000418772255 381263863 /nfs/dbraw/zinc/26/38/63/381263863.db2.gz SPDQVDFIAJFGHD-HNNXBMFYSA-N 2 3 329.489 -0.110 20 0 EBADHP CN(C)CCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867324180 584071834 /nfs/dbraw/zinc/07/18/34/584071834.db2.gz UCHMRMIHHQNJQC-HUUCEWRRSA-N 2 3 341.500 -0.796 20 0 EBADHP [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)cn2)CC1 ZINC001218725202 810523892 /nfs/dbraw/zinc/52/38/92/810523892.db2.gz TZWBVPHJMGCPJU-AWEZNQCLSA-N 2 3 330.436 -0.243 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC001220497485 811126298 /nfs/dbraw/zinc/12/62/98/811126298.db2.gz ZGTVSVKYOQZQFJ-KBPBESRZSA-N 2 3 339.484 -0.179 20 0 EBADHP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238243723 812525310 /nfs/dbraw/zinc/52/53/10/812525310.db2.gz VKCHBFUHUXZCTD-AWEZNQCLSA-N 2 3 330.498 -0.220 20 0 EBADHP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238243723 812525315 /nfs/dbraw/zinc/52/53/15/812525315.db2.gz VKCHBFUHUXZCTD-AWEZNQCLSA-N 2 3 330.498 -0.220 20 0 EBADHP C1[NH2+]CC12C[C@@H](N1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CCO2 ZINC001246668899 812580540 /nfs/dbraw/zinc/58/05/40/812580540.db2.gz PRXIHYZKNRFJDH-HNNXBMFYSA-N 2 3 349.479 -0.019 20 0 EBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101051 831627987 /nfs/dbraw/zinc/62/79/87/831627987.db2.gz GOYUTOBOIFIYQF-XJKSGUPXSA-N 2 3 325.457 -0.828 20 0 EBADHP C[NH+](C)CCN(C(=O)[C@@H]1CNCc2ccnn2C1)[C@@H]1CCC[NH2+]C1 ZINC001161443447 831958033 /nfs/dbraw/zinc/95/80/33/831958033.db2.gz UTJXJYCJLOJPOL-HUUCEWRRSA-N 2 3 334.468 -0.255 20 0 EBADHP C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161444363 831958159 /nfs/dbraw/zinc/95/81/59/831958159.db2.gz GPSINFYMTJBRMH-ZNMIVQPWSA-N 2 3 339.484 -0.533 20 0 EBADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000863548699 584372941 /nfs/dbraw/zinc/37/29/41/584372941.db2.gz VWAGDGASODFHEM-QLFBSQMISA-N 2 3 336.436 -0.236 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911521870 650190283 /nfs/dbraw/zinc/19/02/83/650190283.db2.gz XNCDVLAMLZPPNP-CYBMUJFWSA-N 2 3 327.473 -0.948 20 0 EBADHP COc1cc2c(cc1NC(=O)[C@H](N)CCC[NH3+])NC(=O)[C@@]21CC[NH2+]C1 ZINC001219497417 810721578 /nfs/dbraw/zinc/72/15/78/810721578.db2.gz CBIXAWFJYFBPAO-PIGZYNQJSA-N 2 3 347.419 -0.117 20 0 EBADHP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221114290 811383917 /nfs/dbraw/zinc/38/39/17/811383917.db2.gz UOSLRHWPJRPHSP-AWEZNQCLSA-N 2 3 329.448 -0.372 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365911 811446442 /nfs/dbraw/zinc/44/64/42/811446442.db2.gz JKLVXBPLMQEXFH-RQJABVFESA-N 2 3 343.447 -0.750 20 0 EBADHP CCOC(=O)[C@@]12C[N@H+](CC3(O)CC[NH2+]CC3)C[C@@H]1CNCCC2 ZINC001246031564 812561340 /nfs/dbraw/zinc/56/13/40/812561340.db2.gz RBCCTZNHHKLUEW-YOEHRIQHSA-N 2 3 325.453 -0.034 20 0 EBADHP CCOC(=O)[C@@]12C[N@@H+](CC3(O)CC[NH2+]CC3)C[C@@H]1CNCCC2 ZINC001246031564 812561347 /nfs/dbraw/zinc/56/13/47/812561347.db2.gz RBCCTZNHHKLUEW-YOEHRIQHSA-N 2 3 325.453 -0.034 20 0 EBADHP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667134 831771052 /nfs/dbraw/zinc/77/10/52/831771052.db2.gz SSZDKODIQXXCLR-ZACQAIPSSA-N 2 3 347.463 -0.051 20 0 EBADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160630141 831872132 /nfs/dbraw/zinc/87/21/32/831872132.db2.gz WIJUHLYPRQVHFW-AWEZNQCLSA-N 3 3 333.546 -0.262 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000569677930 377087347 /nfs/dbraw/zinc/08/73/47/377087347.db2.gz KWPMOJDDCWEQSC-CABCVRRESA-N 2 3 341.500 -0.428 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000569677950 377088836 /nfs/dbraw/zinc/08/88/36/377088836.db2.gz KWPMOJDDCWEQSC-LSDHHAIUSA-N 2 3 341.500 -0.428 20 0 EBADHP C[NH2+]CC1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000570035768 377198600 /nfs/dbraw/zinc/19/86/00/377198600.db2.gz SKAQTUMGICIVBP-UHFFFAOYSA-N 2 3 341.500 -0.604 20 0 EBADHP C[NH2+]CC1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000570035768 377198606 /nfs/dbraw/zinc/19/86/06/377198606.db2.gz SKAQTUMGICIVBP-UHFFFAOYSA-N 2 3 341.500 -0.604 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000581364127 381070824 /nfs/dbraw/zinc/07/08/24/381070824.db2.gz BGDWYLSBTNENSZ-LSDHHAIUSA-N 2 3 339.484 -0.994 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000581364125 381071060 /nfs/dbraw/zinc/07/10/60/381071060.db2.gz BGDWYLSBTNENSZ-GJZGRUSLSA-N 2 3 339.484 -0.994 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911559246 650193420 /nfs/dbraw/zinc/19/34/20/650193420.db2.gz WJMIQMSGBGCWTL-HNNXBMFYSA-N 2 3 341.500 -0.413 20 0 EBADHP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)N1CCNCC1 ZINC000316086409 803765589 /nfs/dbraw/zinc/76/55/89/803765589.db2.gz LINRJLCOTODUTO-UHFFFAOYSA-N 2 3 335.518 -0.658 20 0 EBADHP N[C@@H](CSCC[NH3+])C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219792012 810842936 /nfs/dbraw/zinc/84/29/36/810842936.db2.gz YEZCTBQGOROMHI-JSGCOSHPSA-N 2 3 325.482 -0.267 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149996 811001525 /nfs/dbraw/zinc/00/15/25/811001525.db2.gz MKARYGHWZBPTMS-CRWXNKLISA-N 2 3 325.457 -0.713 20 0 EBADHP NC(=[NH2+])N([C@@H]1CN[C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246193529 812567923 /nfs/dbraw/zinc/56/79/23/812567923.db2.gz GXRCCKZLVKYZKP-RYUDHWBXSA-N 2 3 326.470 -0.803 20 0 EBADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3CCOC4(CNC4)C3)C[C@H]1C2 ZINC001246874124 812591259 /nfs/dbraw/zinc/59/12/59/812591259.db2.gz VWVXBOQVANJNLO-NSIVTLKISA-N 2 3 335.448 -0.162 20 0 EBADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H]3CCOC4(CNC4)C3)C[C@H]1C2 ZINC001246874124 812591262 /nfs/dbraw/zinc/59/12/62/812591262.db2.gz VWVXBOQVANJNLO-NSIVTLKISA-N 2 3 335.448 -0.162 20 0 EBADHP NC(=O)C1CCN(C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246867536 812591899 /nfs/dbraw/zinc/59/18/99/812591899.db2.gz YLFLJPSUCCWWQK-MRXNPFEDSA-N 2 3 335.496 -0.258 20 0 EBADHP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001158499045 831660665 /nfs/dbraw/zinc/66/06/65/831660665.db2.gz UYVKEGGIBMEYPF-ZQDZILKHSA-N 2 3 340.468 -0.202 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001324936736 839737599 /nfs/dbraw/zinc/73/75/99/839737599.db2.gz HFXMUDRRQWPYHN-HNNXBMFYSA-N 2 3 341.500 -0.652 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000571746914 381618157 /nfs/dbraw/zinc/61/81/57/381618157.db2.gz VWIHIZWNWFWRAN-KRWDZBQOSA-N 2 3 341.500 -0.556 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000572111614 381641777 /nfs/dbraw/zinc/64/17/77/381641777.db2.gz MPHCNUWVJMCSAG-CABCVRRESA-N 2 3 339.484 -0.994 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911559247 650193671 /nfs/dbraw/zinc/19/36/71/650193671.db2.gz WJMIQMSGBGCWTL-OAHLLOKOSA-N 2 3 341.500 -0.413 20 0 EBADHP Nc1cn(C(=O)[C@H](N)CCC[NH3+])ccc1=[NH+]CCN1CCOCC1 ZINC001218621966 810512347 /nfs/dbraw/zinc/51/23/47/810512347.db2.gz PSUKLTXQWMGTAC-CYBMUJFWSA-N 2 3 336.440 -0.990 20 0 EBADHP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219736956 810817650 /nfs/dbraw/zinc/81/76/50/810817650.db2.gz LLCCZHKXOWDDBY-ZBFHGGJFSA-N 2 3 336.480 -0.055 20 0 EBADHP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219736956 810817657 /nfs/dbraw/zinc/81/76/57/810817657.db2.gz LLCCZHKXOWDDBY-ZBFHGGJFSA-N 2 3 336.480 -0.055 20 0 EBADHP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219736956 810817663 /nfs/dbraw/zinc/81/76/63/810817663.db2.gz LLCCZHKXOWDDBY-ZBFHGGJFSA-N 2 3 336.480 -0.055 20 0 EBADHP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@H]2C[NH2+]CC23CNC3)COC1 ZINC001220020220 810950472 /nfs/dbraw/zinc/95/04/72/810950472.db2.gz AWQUJRUIPRPDDY-OAHLLOKOSA-N 2 3 330.432 -0.448 20 0 EBADHP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)COC1 ZINC001220020569 810951281 /nfs/dbraw/zinc/95/12/81/810951281.db2.gz NGOBXWHSFSZVKI-VQIMIIECSA-N 2 3 344.459 -0.058 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220886768 811282561 /nfs/dbraw/zinc/28/25/61/811282561.db2.gz MFVSXKJLYILFCA-RDBSUJKOSA-N 2 3 325.457 -0.698 20 0 EBADHP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2C[NH2+]CC23CNC3)c2ccncn2)CC1 ZINC001220941217 811304064 /nfs/dbraw/zinc/30/40/64/811304064.db2.gz NGXJAQQGSDIWBX-IHRRRGAJSA-N 2 3 330.436 -0.112 20 0 EBADHP COCCCN(C[C@@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246044024 812561449 /nfs/dbraw/zinc/56/14/49/812561449.db2.gz FCBOOPPJVGMKNQ-INIZCTEOSA-N 2 3 329.485 -0.058 20 0 EBADHP COCCC[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C1CCNCC1 ZINC001246044024 812561454 /nfs/dbraw/zinc/56/14/54/812561454.db2.gz FCBOOPPJVGMKNQ-INIZCTEOSA-N 2 3 329.485 -0.058 20 0 EBADHP COCCC[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C1CCNCC1 ZINC001246044024 812561458 /nfs/dbraw/zinc/56/14/58/812561458.db2.gz FCBOOPPJVGMKNQ-INIZCTEOSA-N 2 3 329.485 -0.058 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208306 831639930 /nfs/dbraw/zinc/63/99/30/831639930.db2.gz PSOVIEGTQHVUPY-XQLPTFJDSA-N 2 3 337.468 -0.604 20 0 EBADHP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667133 831771878 /nfs/dbraw/zinc/77/18/78/831771878.db2.gz SSZDKODIQXXCLR-ULQDDVLXSA-N 2 3 347.463 -0.051 20 0 EBADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160628229 831872092 /nfs/dbraw/zinc/87/20/92/831872092.db2.gz AJPVYEXUUVBTRE-HNNXBMFYSA-N 2 3 341.500 -0.951 20 0 EBADHP CCOC(=O)[C@]12CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160812314 831890668 /nfs/dbraw/zinc/89/06/68/831890668.db2.gz NXWJZQMJHFIOHN-TYNCELHUSA-N 2 3 344.481 -0.993 20 0 EBADHP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000566090502 376344688 /nfs/dbraw/zinc/34/46/88/376344688.db2.gz ILBLCWLEUZETQO-GJZGRUSLSA-N 2 3 341.500 -0.476 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000574748892 380721624 /nfs/dbraw/zinc/72/16/24/380721624.db2.gz QFMLXEUNQBYZDT-UHFFFAOYSA-N 2 3 327.473 -0.865 20 0 EBADHP C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000643509649 381928378 /nfs/dbraw/zinc/92/83/78/381928378.db2.gz DNFTVSSWPXXFMV-CABCVRRESA-N 2 3 341.500 -0.619 20 0 EBADHP C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000643509652 381928637 /nfs/dbraw/zinc/92/86/37/381928637.db2.gz DNFTVSSWPXXFMV-LSDHHAIUSA-N 2 3 341.500 -0.619 20 0 EBADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903778484 582820321 /nfs/dbraw/zinc/82/03/21/582820321.db2.gz NNECXIQKLBKNAL-OWVAZHOYSA-N 2 3 336.436 -0.378 20 0 EBADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903778485 582820355 /nfs/dbraw/zinc/82/03/55/582820355.db2.gz NNECXIQKLBKNAL-RUCLQGLUSA-N 2 3 336.436 -0.378 20 0 EBADHP C[NH+](C)C[C@@H]1CN(C[C@@H]2CCCN(C(=O)CN)C2)C[C@H]1C[NH+](C)C ZINC000873217250 584473514 /nfs/dbraw/zinc/47/35/14/584473514.db2.gz LAKZSQXHCIOTRA-GVDBMIGSSA-N 2 3 339.528 -0.145 20 0 EBADHP C[NH+](C)C[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)C[C@H]1C[NH+](C)C ZINC000877143565 584529199 /nfs/dbraw/zinc/52/91/99/584529199.db2.gz RWNYIINEWOGRDM-OAGGEKHMSA-N 2 3 326.485 -0.047 20 0 EBADHP C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@H]1C[NH3+] ZINC000926329686 650386096 /nfs/dbraw/zinc/38/60/96/650386096.db2.gz GZWAAQFZOAPMMJ-CABCVRRESA-N 2 3 341.500 -0.619 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926331906 650386547 /nfs/dbraw/zinc/38/65/47/650386547.db2.gz URSOVEMNQNULAU-CQSZACIVSA-N 2 3 327.473 -0.865 20 0 EBADHP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218726865 810524223 /nfs/dbraw/zinc/52/42/23/810524223.db2.gz RPBMKNGSVKHTKC-SUYBPPKGSA-N 2 3 331.420 -0.040 20 0 EBADHP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219812689 810857735 /nfs/dbraw/zinc/85/77/35/810857735.db2.gz GSDMSEABFNMZND-MPGHIAIKSA-N 2 3 336.480 -0.197 20 0 EBADHP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219812689 810857745 /nfs/dbraw/zinc/85/77/45/810857745.db2.gz GSDMSEABFNMZND-MPGHIAIKSA-N 2 3 336.480 -0.197 20 0 EBADHP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219812689 810857749 /nfs/dbraw/zinc/85/77/49/810857749.db2.gz GSDMSEABFNMZND-MPGHIAIKSA-N 2 3 336.480 -0.197 20 0 EBADHP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220651822 811189700 /nfs/dbraw/zinc/18/97/00/811189700.db2.gz PYWOURALEIYUJZ-OAHLLOKOSA-N 2 3 329.448 -0.479 20 0 EBADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CCOCCOCC[NH3+] ZINC001245997739 812557997 /nfs/dbraw/zinc/55/79/97/812557997.db2.gz YYUVYWPJJAWFPQ-JKSUJKDBSA-N 2 3 347.406 -0.223 20 0 EBADHP [NH3+]CCOCCOCCOCCOCCN[C@@H]1CCC[NH2+]CC1 ZINC001246217689 812568742 /nfs/dbraw/zinc/56/87/42/812568742.db2.gz VRTSQSWMIWGJMZ-MRXNPFEDSA-N 2 3 333.473 -0.257 20 0 EBADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000576637458 380778933 /nfs/dbraw/zinc/77/89/33/380778933.db2.gz ZIWYVWYZEXRJJD-ULQDDVLXSA-N 2 3 334.464 -0.296 20 0 EBADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000576637458 380778935 /nfs/dbraw/zinc/77/89/35/380778935.db2.gz ZIWYVWYZEXRJJD-ULQDDVLXSA-N 2 3 334.464 -0.296 20 0 EBADHP [NH3+]CCNC(=O)[C@H]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000576637458 380778941 /nfs/dbraw/zinc/77/89/41/380778941.db2.gz ZIWYVWYZEXRJJD-ULQDDVLXSA-N 2 3 334.464 -0.296 20 0 EBADHP C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000583746990 381132405 /nfs/dbraw/zinc/13/24/05/381132405.db2.gz JRRJSQRPQFYMPG-KBPBESRZSA-N 2 3 327.473 -0.866 20 0 EBADHP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCNCC2)C[C@H]1C[NH+](C)C ZINC000868388659 584427367 /nfs/dbraw/zinc/42/73/67/584427367.db2.gz YFNGVLQPQYLAHH-HUUCEWRRSA-N 2 3 339.484 -0.994 20 0 EBADHP C[NH+](C)C[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)C[C@H]1C[NH+](C)C ZINC000877143564 584529271 /nfs/dbraw/zinc/52/92/71/584529271.db2.gz RWNYIINEWOGRDM-BZUAXINKSA-N 2 3 326.485 -0.047 20 0 EBADHP Nc1cccnc1N(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C1CC[NH2+]CC1 ZINC001218695518 810520406 /nfs/dbraw/zinc/52/04/06/810520406.db2.gz YOGKKYAFCHDICL-FZKQIMNGSA-N 2 3 344.463 -0.052 20 0 EBADHP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219916270 810907067 /nfs/dbraw/zinc/90/70/67/810907067.db2.gz PPHOMWZUYFVYTK-IHRRRGAJSA-N 2 3 327.473 -0.500 20 0 EBADHP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001221187589 811409710 /nfs/dbraw/zinc/40/97/10/811409710.db2.gz AVZVUVGYFVVCKP-ZFWWWQNUSA-N 2 3 340.468 -0.153 20 0 EBADHP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001221187589 811409713 /nfs/dbraw/zinc/40/97/13/811409713.db2.gz AVZVUVGYFVVCKP-ZFWWWQNUSA-N 2 3 340.468 -0.153 20 0 EBADHP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001221187589 811409715 /nfs/dbraw/zinc/40/97/15/811409715.db2.gz AVZVUVGYFVVCKP-ZFWWWQNUSA-N 2 3 340.468 -0.153 20 0 EBADHP N[C@@H]1C[NH2+][C@H](C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001158903628 831694406 /nfs/dbraw/zinc/69/44/06/831694406.db2.gz NZGLBGQGISJKDL-GWIFVGGISA-N 2 3 349.410 -0.236 20 0 EBADHP N[C@@H]1C[NH2+][C@H](C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)C1 ZINC001158903627 831694859 /nfs/dbraw/zinc/69/48/59/831694859.db2.gz NZGLBGQGISJKDL-GMIGKAJZSA-N 2 3 349.410 -0.236 20 0 EBADHP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001159134037 831711384 /nfs/dbraw/zinc/71/13/84/831711384.db2.gz MCVKAYUFGMFTCT-KGLIPLIRSA-N 2 3 332.452 -0.788 20 0 EBADHP O=C([C@@H]1C[NH2+]CC12CNC2)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161269601 831943905 /nfs/dbraw/zinc/94/39/05/831943905.db2.gz BGZBBFKDYMRXQG-HOTGVXAUSA-N 2 3 329.448 -0.029 20 0 EBADHP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C2)CC1 ZINC001161377555 831951813 /nfs/dbraw/zinc/95/18/13/831951813.db2.gz HORAIAAPVHUHNX-HZPDHXFCSA-N 2 3 335.496 -0.115 20 0 EBADHP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000566090503 376346018 /nfs/dbraw/zinc/34/60/18/376346018.db2.gz ILBLCWLEUZETQO-HUUCEWRRSA-N 2 3 341.500 -0.476 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652729132 419323279 /nfs/dbraw/zinc/32/32/79/419323279.db2.gz SSLKSXMEUSQBNN-UHFFFAOYSA-N 2 3 341.500 -0.474 20 0 EBADHP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)C[C@H]1C[NH+](C)C ZINC000892179498 582569059 /nfs/dbraw/zinc/56/90/59/582569059.db2.gz JGXKFOZYXVNGGR-KFWWJZLASA-N 2 3 327.473 -0.644 20 0 EBADHP C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1CC[NH3+] ZINC000903737518 582816007 /nfs/dbraw/zinc/81/60/07/582816007.db2.gz OMOOWCPMBBMWRD-HUUCEWRRSA-N 2 3 341.500 -0.619 20 0 EBADHP N=C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])SCC[NH3+] ZINC001220106160 810984928 /nfs/dbraw/zinc/98/49/28/810984928.db2.gz CSTSMGYJEAAFFB-QWRGUYRKSA-N 2 3 344.485 -0.823 20 0 EBADHP NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001220968923 811316398 /nfs/dbraw/zinc/31/63/98/811316398.db2.gz IEZGECKEWBZEOR-OAHLLOKOSA-N 2 3 347.463 -0.311 20 0 EBADHP [NH3+]CCNC(=O)c1cccc(CN2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222100006 811596272 /nfs/dbraw/zinc/59/62/72/811596272.db2.gz PXSGBXKCXSXHOZ-UHFFFAOYSA-N 2 3 331.464 -0.098 20 0 EBADHP COCCCN(C[C@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246044027 812560535 /nfs/dbraw/zinc/56/05/35/812560535.db2.gz FCBOOPPJVGMKNQ-MRXNPFEDSA-N 2 3 329.485 -0.058 20 0 EBADHP COCCC[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C1CCNCC1 ZINC001246044027 812560541 /nfs/dbraw/zinc/56/05/41/812560541.db2.gz FCBOOPPJVGMKNQ-MRXNPFEDSA-N 2 3 329.485 -0.058 20 0 EBADHP COCCC[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C1CCNCC1 ZINC001246044027 812560551 /nfs/dbraw/zinc/56/05/51/812560551.db2.gz FCBOOPPJVGMKNQ-MRXNPFEDSA-N 2 3 329.485 -0.058 20 0 EBADHP CN1CCN(C[C@@H](O)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC001261436600 812906125 /nfs/dbraw/zinc/90/61/25/812906125.db2.gz GJLXDGRNKPQBOD-INIZCTEOSA-N 2 3 327.517 -0.790 20 0 EBADHP C[NH+](C)CCCC[C@H](N)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260774 831641120 /nfs/dbraw/zinc/64/11/20/831641120.db2.gz GVKSGNOVJOBKKX-AWEZNQCLSA-N 2 3 349.483 -0.242 20 0 EBADHP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001159133003 831711036 /nfs/dbraw/zinc/71/10/36/831711036.db2.gz GLLVKMMZDMRUCT-IIDMSEBBSA-N 2 3 346.479 -0.398 20 0 EBADHP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001159134036 831711279 /nfs/dbraw/zinc/71/12/79/831711279.db2.gz MCVKAYUFGMFTCT-KBPBESRZSA-N 2 3 332.452 -0.788 20 0 EBADHP COc1cc(N(C(=O)[C@H]2C[NH2+]CC23CNC3)C2CC[NH2+]CC2)ccn1 ZINC001161386516 831952251 /nfs/dbraw/zinc/95/22/51/831952251.db2.gz QZKMRCGCEPIKIS-OAHLLOKOSA-N 2 3 345.447 -0.016 20 0 EBADHP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448344 831958734 /nfs/dbraw/zinc/95/87/34/831958734.db2.gz BRSJLDYCPNSDOO-RBSFLKMASA-N 2 3 326.441 -0.720 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000642912354 376712546 /nfs/dbraw/zinc/71/25/46/376712546.db2.gz AQOZMCFTFIPMNH-KBPBESRZSA-N 2 3 327.473 -0.676 20 0 EBADHP CN(C)[C@@H]1[C@H]2C[N@H+](CC3(CN4C[C@H]5[C@@H](C4)[C@@H]5[NH+](C)C)COC3)C[C@H]21 ZINC000931278378 651628924 /nfs/dbraw/zinc/62/89/24/651628924.db2.gz AYJKIYUEICVIGI-HKCPWHJYSA-N 2 3 334.508 -0.013 20 0 EBADHP CN(C)[C@@H]1[C@H]2C[N@@H+](CC3(CN4C[C@H]5[C@@H](C4)[C@@H]5[NH+](C)C)COC3)C[C@H]21 ZINC000931278378 651628927 /nfs/dbraw/zinc/62/89/27/651628927.db2.gz AYJKIYUEICVIGI-HKCPWHJYSA-N 2 3 334.508 -0.013 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cncc(C[NH3+])c1 ZINC001218705001 810523131 /nfs/dbraw/zinc/52/31/31/810523131.db2.gz HYCLUILFCQZLBS-GJZGRUSLSA-N 2 3 348.451 -0.074 20 0 EBADHP C[NH+](C)CCCC[C@H](N)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838421 810870923 /nfs/dbraw/zinc/87/09/23/810870923.db2.gz QADMALGSVZAKOQ-VYDXJSESSA-N 2 3 342.484 -0.443 20 0 EBADHP [NH3+]CCN(CC[NH2+]C1CCC(N2CCOCC2)CC1)N(O)N=O ZINC001256681685 812737327 /nfs/dbraw/zinc/73/73/27/812737327.db2.gz ZFVPNDOYTIHXLF-UHFFFAOYSA-N 2 3 330.433 -0.232 20 0 EBADHP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001157448688 831566502 /nfs/dbraw/zinc/56/65/02/831566502.db2.gz FZKVMYVYRQJEML-AWEZNQCLSA-N 2 3 326.441 -0.414 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC001160514486 831860338 /nfs/dbraw/zinc/86/03/38/831860338.db2.gz SXOVSOXEJNATJU-KBPBESRZSA-N 2 3 325.457 -0.617 20 0 EBADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160628230 831872400 /nfs/dbraw/zinc/87/24/00/831872400.db2.gz AJPVYEXUUVBTRE-OAHLLOKOSA-N 2 3 341.500 -0.951 20 0 EBADHP C[NH+](C)CCN(C(=O)[C@@H]1CNCc2ccnn2C1)[C@H]1CCC[NH2+]C1 ZINC001161443445 831957855 /nfs/dbraw/zinc/95/78/55/831957855.db2.gz UTJXJYCJLOJPOL-CABCVRRESA-N 2 3 334.468 -0.255 20 0 EBADHP C[NH+](C)CCN(C(=O)CN1CCCC[C@H](N)C1=O)[C@@H]1CCC[NH2+]C1 ZINC001161444033 831957885 /nfs/dbraw/zinc/95/78/85/831957885.db2.gz AEICHKRNEWRFPA-CABCVRRESA-N 2 3 339.484 -0.532 20 0 EBADHP CC(C)C[C@H](N)C(=O)NCC(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161445094 831958111 /nfs/dbraw/zinc/95/81/11/831958111.db2.gz NPLXUCNTUOXEKX-GJZGRUSLSA-N 2 3 341.500 -0.382 20 0 EBADHP CN(C)CCN(C(=O)CN(C)[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161447451 831958228 /nfs/dbraw/zinc/95/82/28/831958228.db2.gz XOFDPCALUZWROK-CVEARBPZSA-N 2 3 325.501 -0.188 20 0 EBADHP C[NH2+][C@@H]1CCCN(CC(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)C1 ZINC001161448813 831958869 /nfs/dbraw/zinc/95/88/69/831958869.db2.gz HTJNEJBKVIIMHK-CVEARBPZSA-N 2 3 325.501 -0.188 20 0 EBADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000573206594 380663695 /nfs/dbraw/zinc/66/36/95/380663695.db2.gz GKZCDXLKJXWXHK-HUUCEWRRSA-N 2 3 339.484 -0.497 20 0 EBADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000573206594 380663698 /nfs/dbraw/zinc/66/36/98/380663698.db2.gz GKZCDXLKJXWXHK-HUUCEWRRSA-N 2 3 339.484 -0.497 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000572111616 381640958 /nfs/dbraw/zinc/64/09/58/381640958.db2.gz MPHCNUWVJMCSAG-HUUCEWRRSA-N 2 3 339.484 -0.994 20 0 EBADHP C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000572228466 381652204 /nfs/dbraw/zinc/65/22/04/381652204.db2.gz XKIJWRHIVHUCEN-CABCVRRESA-N 2 3 341.500 -0.558 20 0 EBADHP CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877143914 584529144 /nfs/dbraw/zinc/52/91/44/584529144.db2.gz YIACXQIQESUDEJ-FMKPAKJESA-N 2 3 341.500 -0.716 20 0 EBADHP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220044915 810959068 /nfs/dbraw/zinc/95/90/68/810959068.db2.gz DMCDVNCHVSFGNJ-KBPBESRZSA-N 2 3 348.451 -0.486 20 0 EBADHP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220651816 811190537 /nfs/dbraw/zinc/19/05/37/811190537.db2.gz PYWOURALEIYUJZ-HNNXBMFYSA-N 2 3 329.448 -0.479 20 0 EBADHP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]1CNCCC2 ZINC001246596648 812576993 /nfs/dbraw/zinc/57/69/93/812576993.db2.gz QIIVSYBNIPLKJQ-MPGHIAIKSA-N 2 3 336.480 -0.055 20 0 EBADHP CCOC(=O)[C@@]12C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]1CNCCC2 ZINC001246596648 812576999 /nfs/dbraw/zinc/57/69/99/812576999.db2.gz QIIVSYBNIPLKJQ-MPGHIAIKSA-N 2 3 336.480 -0.055 20 0 EBADHP C[NH+](C)CCN(C(=O)[C@H]1CNCc2ccnn2C1)[C@H]1CCC[NH2+]C1 ZINC001161443446 831957909 /nfs/dbraw/zinc/95/79/09/831957909.db2.gz UTJXJYCJLOJPOL-GJZGRUSLSA-N 2 3 334.468 -0.255 20 0 EBADHP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC2 ZINC001161475975 831962816 /nfs/dbraw/zinc/96/28/16/831962816.db2.gz ABHKBVFVXGXUNJ-ZQIUZPCESA-N 2 3 340.468 -0.201 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000570030474 377199822 /nfs/dbraw/zinc/19/98/22/377199822.db2.gz OBYZLEWBOSATPM-CQSZACIVSA-N 2 3 327.473 -0.804 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000569324101 380639232 /nfs/dbraw/zinc/63/92/32/380639232.db2.gz GPIHMBNMCHSOLW-OAHLLOKOSA-N 2 3 341.500 -0.556 20 0 EBADHP CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000643509781 381928167 /nfs/dbraw/zinc/92/81/67/381928167.db2.gz SPRKBGOXTSMCCJ-LSDHHAIUSA-N 2 3 341.500 -0.476 20 0 EBADHP C[NH+](C)C[C@@H]1CN(C[C@H]2CCCN(C(=O)CN)C2)C[C@H]1C[NH+](C)C ZINC000873217249 584473529 /nfs/dbraw/zinc/47/35/29/584473529.db2.gz LAKZSQXHCIOTRA-BRWVUGGUSA-N 2 3 339.528 -0.145 20 0 EBADHP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CC2)C[C@H]1C[NH+](C)C ZINC000884706397 584634994 /nfs/dbraw/zinc/63/49/94/584634994.db2.gz BIBSOQNEQZPIPB-KFWWJZLASA-N 2 3 339.484 -0.962 20 0 EBADHP O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219787462 810840355 /nfs/dbraw/zinc/84/03/55/810840355.db2.gz DYQBDPVVVDOKRV-HDMKZQKVSA-N 2 3 331.464 -0.087 20 0 EBADHP [NH3+]CCOCCOCCOCCOCCN[C@H]1CCC[NH2+]CC1 ZINC001246217688 812568035 /nfs/dbraw/zinc/56/80/35/812568035.db2.gz VRTSQSWMIWGJMZ-INIZCTEOSA-N 2 3 333.473 -0.257 20 0 EBADHP O=C1NCC[C@]12C[N@@H+](C1CCC3(CC1)C[NH2+]CCO3)CC21CNC1 ZINC001246623277 812576928 /nfs/dbraw/zinc/57/69/28/812576928.db2.gz BQJAKUOXAOICOG-UYJHFMRCSA-N 2 3 334.464 -0.301 20 0 EBADHP O=C1NCC[C@]12C[N@H+](C1CCC3(CC1)C[NH2+]CCO3)CC21CNC1 ZINC001246623277 812576935 /nfs/dbraw/zinc/57/69/35/812576935.db2.gz BQJAKUOXAOICOG-UYJHFMRCSA-N 2 3 334.464 -0.301 20 0 EBADHP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(=O)N1CCCC1 ZINC001157370825 831562177 /nfs/dbraw/zinc/56/21/77/831562177.db2.gz IISAPNILTXSORD-KBPBESRZSA-N 2 3 337.468 -0.968 20 0 EBADHP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001157448665 831566352 /nfs/dbraw/zinc/56/63/52/831566352.db2.gz FFWJWIDSYNWRKD-NSHDSACASA-N 2 3 332.470 -0.721 20 0 EBADHP N[C@@H](C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC001158277173 831642874 /nfs/dbraw/zinc/64/28/74/831642874.db2.gz LNXKFPHPIXGJOQ-CQSZACIVSA-N 2 3 333.440 -0.974 20 0 EBADHP N[C@H]1C[NH2+][C@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)C1 ZINC001159401695 831749748 /nfs/dbraw/zinc/74/97/48/831749748.db2.gz BARQJIOFKOIIHR-AIEDFZFUSA-N 2 3 346.435 -0.877 20 0 EBADHP N[C@@H]1C[NH2+][C@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)C1 ZINC001159401696 831749769 /nfs/dbraw/zinc/74/97/69/831749769.db2.gz BARQJIOFKOIIHR-YYFQZIEXSA-N 2 3 346.435 -0.877 20 0 EBADHP CCOC(=O)[C@]12CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160811864 831890046 /nfs/dbraw/zinc/89/00/46/831890046.db2.gz WDPJSQCPSUBHQO-DVOMOZLQSA-N 2 3 326.441 -0.556 20 0 EBADHP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC2 ZINC001161475973 831962857 /nfs/dbraw/zinc/96/28/57/831962857.db2.gz ABHKBVFVXGXUNJ-JJRVBVJISA-N 2 3 340.468 -0.201 20 0 EBADHP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)CN2CCN(C)CC2)CC1 ZINC001331960055 841538973 /nfs/dbraw/zinc/53/89/73/841538973.db2.gz PXLGHXFQMUQNJN-GOSISDBHSA-N 2 3 341.544 -0.398 20 0 EBADHP C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000643509651 381928607 /nfs/dbraw/zinc/92/86/07/381928607.db2.gz DNFTVSSWPXXFMV-HUUCEWRRSA-N 2 3 341.500 -0.619 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724205 419319775 /nfs/dbraw/zinc/31/97/75/419319775.db2.gz YSIDHXGHAXQVHM-UHFFFAOYSA-N 2 3 341.500 -0.556 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884923267 584640724 /nfs/dbraw/zinc/64/07/24/584640724.db2.gz LLGRGUFOKWJYDX-SHTZXODSSA-N 2 3 341.500 -0.428 20 0 EBADHP [NH3+]CCOCCOCCNC(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001220519151 811135350 /nfs/dbraw/zinc/13/53/50/811135350.db2.gz DCIYTNUKWQDMDB-OAHLLOKOSA-N 2 3 342.484 -0.442 20 0 EBADHP [NH3+]CCOCCOCCNC(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001220519151 811135362 /nfs/dbraw/zinc/13/53/62/811135362.db2.gz DCIYTNUKWQDMDB-OAHLLOKOSA-N 2 3 342.484 -0.442 20 0 EBADHP [NH3+]CCOCCOCCNC(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220519151 811135367 /nfs/dbraw/zinc/13/53/67/811135367.db2.gz DCIYTNUKWQDMDB-OAHLLOKOSA-N 2 3 342.484 -0.442 20 0 EBADHP C1[NH2+]CC12C[C@H](N1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CCO2 ZINC001246668908 812580076 /nfs/dbraw/zinc/58/00/76/812580076.db2.gz PRXIHYZKNRFJDH-OAHLLOKOSA-N 2 3 349.479 -0.019 20 0 EBADHP O=C([C@H]1CCCN(C2CC[NH2+]CC2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166982 831634218 /nfs/dbraw/zinc/63/42/18/831634218.db2.gz FVFYYVGXOXDIDQ-ZMSDIMECSA-N 2 3 336.480 -0.103 20 0 EBADHP O=C([C@H]1CCC[N@@H+](C2CCNCC2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166982 831634222 /nfs/dbraw/zinc/63/42/22/831634222.db2.gz FVFYYVGXOXDIDQ-ZMSDIMECSA-N 2 3 336.480 -0.103 20 0 EBADHP O=C([C@H]1CCC[N@H+](C2CCNCC2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166982 831634228 /nfs/dbraw/zinc/63/42/28/831634228.db2.gz FVFYYVGXOXDIDQ-ZMSDIMECSA-N 2 3 336.480 -0.103 20 0 EBADHP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001159132519 831710123 /nfs/dbraw/zinc/71/01/23/831710123.db2.gz AGJBWLZDHLROAV-OLZOCXBDSA-N 2 3 340.497 -0.578 20 0 EBADHP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449168 831958592 /nfs/dbraw/zinc/95/85/92/831958592.db2.gz KQNVNMUKXUVGCD-CVEARBPZSA-N 2 3 341.500 -0.238 20 0 EBADHP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161448346 831958796 /nfs/dbraw/zinc/95/87/96/831958796.db2.gz BRSJLDYCPNSDOO-RRFJBIMHSA-N 2 3 326.441 -0.720 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000569211769 380633724 /nfs/dbraw/zinc/63/37/24/380633724.db2.gz HOFXMDKMINVOMC-KRWDZBQOSA-N 2 3 339.484 -0.850 20 0 EBADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CNCCO1 ZINC000418772256 381263180 /nfs/dbraw/zinc/26/31/80/381263180.db2.gz SPDQVDFIAJFGHD-OAHLLOKOSA-N 2 3 329.489 -0.110 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643509770 381927953 /nfs/dbraw/zinc/92/79/53/381927953.db2.gz SCFMJUCNMPGQHS-GJZGRUSLSA-N 2 3 339.484 -0.851 20 0 EBADHP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001157448689 831566631 /nfs/dbraw/zinc/56/66/31/831566631.db2.gz FZKVMYVYRQJEML-CQSZACIVSA-N 2 3 326.441 -0.414 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158421799 831653392 /nfs/dbraw/zinc/65/33/92/831653392.db2.gz GFUWXPOMNFCSID-AJNGGQMLSA-N 2 3 337.468 -0.604 20 0 EBADHP C[NH+](C)CCN(C(=O)[C@H]1CNCc2ccnn2C1)[C@@H]1CCC[NH2+]C1 ZINC001161443448 831958107 /nfs/dbraw/zinc/95/81/07/831958107.db2.gz UTJXJYCJLOJPOL-LSDHHAIUSA-N 2 3 334.468 -0.255 20 0 EBADHP CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449527 831958924 /nfs/dbraw/zinc/95/89/24/831958924.db2.gz NNVVYZILGCCCNF-LZWOXQAQSA-N 2 3 341.500 -0.382 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000581364124 381071551 /nfs/dbraw/zinc/07/15/51/381071551.db2.gz BGDWYLSBTNENSZ-CABCVRRESA-N 2 3 339.484 -0.994 20 0 EBADHP C[NH+](C)CCCC[C@H](N)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838422 810870661 /nfs/dbraw/zinc/87/06/61/810870661.db2.gz QADMALGSVZAKOQ-YQQAZPJKSA-N 2 3 342.484 -0.443 20 0 EBADHP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)O1 ZINC001220481252 811122083 /nfs/dbraw/zinc/12/20/83/811122083.db2.gz ASCUOQFYRGBQOK-NHIYQJMISA-N 2 3 330.473 -0.113 20 0 EBADHP NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001220968922 811315498 /nfs/dbraw/zinc/31/54/98/811315498.db2.gz IEZGECKEWBZEOR-HNNXBMFYSA-N 2 3 347.463 -0.311 20 0 EBADHP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221121916 811384511 /nfs/dbraw/zinc/38/45/11/811384511.db2.gz XUMDBZKBMKCXTF-NVXWUHKLSA-N 2 3 329.448 -0.024 20 0 EBADHP O[C@H](CNC[C@@]12CCCO[C@@H]1CC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001245982791 812557459 /nfs/dbraw/zinc/55/74/59/812557459.db2.gz JXVQUPKWBYSGGW-XHSDSOJGSA-N 2 3 327.469 -0.400 20 0 EBADHP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]1CNCCC2 ZINC001246596641 812576597 /nfs/dbraw/zinc/57/65/97/812576597.db2.gz QIIVSYBNIPLKJQ-DAYGRLMNSA-N 2 3 336.480 -0.055 20 0 EBADHP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]1CNCCC2 ZINC001246596641 812576602 /nfs/dbraw/zinc/57/66/02/812576602.db2.gz QIIVSYBNIPLKJQ-DAYGRLMNSA-N 2 3 336.480 -0.055 20 0 EBADHP C1[NH2+]CC12C[C@@H](N1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CCN2 ZINC001246662818 812579201 /nfs/dbraw/zinc/57/92/01/812579201.db2.gz BGLBMSQUVMHAGW-HNNXBMFYSA-N 2 3 348.495 -0.446 20 0 EBADHP NC(=O)C1CCN(C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246867528 812591273 /nfs/dbraw/zinc/59/12/73/812591273.db2.gz YLFLJPSUCCWWQK-INIZCTEOSA-N 2 3 335.496 -0.258 20 0 EBADHP N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1)C1CC[NH2+]CC1 ZINC001157379152 831563485 /nfs/dbraw/zinc/56/34/85/831563485.db2.gz IMWMRCXXAHTSEX-GJZGRUSLSA-N 2 3 339.484 -0.451 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158421801 831653241 /nfs/dbraw/zinc/65/32/41/831653241.db2.gz GFUWXPOMNFCSID-XGUBFFRZSA-N 2 3 337.468 -0.604 20 0 EBADHP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667132 831771151 /nfs/dbraw/zinc/77/11/51/831771151.db2.gz SSZDKODIQXXCLR-IKGGRYGDSA-N 2 3 347.463 -0.051 20 0 EBADHP CC(C)(O)CCN1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001161175330 831935547 /nfs/dbraw/zinc/93/55/47/831935547.db2.gz KUMXXIQODSVKFG-OAHLLOKOSA-N 2 3 341.500 -0.958 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000643509547 381927984 /nfs/dbraw/zinc/92/79/84/381927984.db2.gz PHBVVUOGUIZANL-HUUCEWRRSA-N 2 3 339.484 -0.851 20 0 EBADHP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219736955 810817315 /nfs/dbraw/zinc/81/73/15/810817315.db2.gz LLCCZHKXOWDDBY-HOCLYGCPSA-N 2 3 336.480 -0.055 20 0 EBADHP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219736955 810817321 /nfs/dbraw/zinc/81/73/21/810817321.db2.gz LLCCZHKXOWDDBY-HOCLYGCPSA-N 2 3 336.480 -0.055 20 0 EBADHP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219736955 810817325 /nfs/dbraw/zinc/81/73/25/810817325.db2.gz LLCCZHKXOWDDBY-HOCLYGCPSA-N 2 3 336.480 -0.055 20 0 EBADHP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219787463 810839574 /nfs/dbraw/zinc/83/95/74/810839574.db2.gz DYQBDPVVVDOKRV-IIDMSEBBSA-N 2 3 331.464 -0.087 20 0 EBADHP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221114291 811382664 /nfs/dbraw/zinc/38/26/64/811382664.db2.gz UOSLRHWPJRPHSP-CQSZACIVSA-N 2 3 329.448 -0.372 20 0 EBADHP CN(C)CCN1CCN(C)C2(CC[NH+](CCCC[NH3+])CC2)C1=O ZINC001235570552 812498501 /nfs/dbraw/zinc/49/85/01/812498501.db2.gz YTWRJGOYEVVVNA-UHFFFAOYSA-N 2 3 325.501 -0.105 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158421800 831653995 /nfs/dbraw/zinc/65/39/95/831653995.db2.gz GFUWXPOMNFCSID-LJISPDSOSA-N 2 3 337.468 -0.604 20 0 EBADHP N[C@@H]1C[NH2+][C@H](C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001158903629 831694765 /nfs/dbraw/zinc/69/47/65/831694765.db2.gz NZGLBGQGISJKDL-IFOZYUSPSA-N 2 3 349.410 -0.236 20 0 EBADHP COc1ccnc(N(C(=O)[C@@H]2C[NH2+]CC23CNC3)C2CC[NH2+]CC2)c1 ZINC001161386593 831952339 /nfs/dbraw/zinc/95/23/39/831952339.db2.gz SHZDQHWMSGDBLB-HNNXBMFYSA-N 2 3 345.447 -0.016 20 0 EBADHP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161449169 831958662 /nfs/dbraw/zinc/95/86/62/831958662.db2.gz KQNVNMUKXUVGCD-HOTGVXAUSA-N 2 3 341.500 -0.238 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000576861143 380788853 /nfs/dbraw/zinc/78/88/53/380788853.db2.gz BIZVISBAQBDBJU-AWEZNQCLSA-N 2 3 327.473 -0.865 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000643509545 381928500 /nfs/dbraw/zinc/92/85/00/381928500.db2.gz PHBVVUOGUIZANL-CABCVRRESA-N 2 3 339.484 -0.851 20 0 EBADHP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)C[C@H]1C[NH+](C)C ZINC000868387588 584427188 /nfs/dbraw/zinc/42/71/88/584427188.db2.gz OQHJZQKUIHAOGS-RBSFLKMASA-N 2 3 339.484 -0.866 20 0 EBADHP Nc1cn(C(=O)[C@@H](N)CCC[NH3+])ccc1=[NH+]CCN1CCOCC1 ZINC001218621969 810512469 /nfs/dbraw/zinc/51/24/69/810512469.db2.gz PSUKLTXQWMGTAC-ZDUSSCGKSA-N 2 3 336.440 -0.990 20 0 EBADHP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219736953 810817455 /nfs/dbraw/zinc/81/74/55/810817455.db2.gz LLCCZHKXOWDDBY-GDBMZVCRSA-N 2 3 336.480 -0.055 20 0 EBADHP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219736953 810817464 /nfs/dbraw/zinc/81/74/64/810817464.db2.gz LLCCZHKXOWDDBY-GDBMZVCRSA-N 2 3 336.480 -0.055 20 0 EBADHP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219736953 810817471 /nfs/dbraw/zinc/81/74/71/810817471.db2.gz LLCCZHKXOWDDBY-GDBMZVCRSA-N 2 3 336.480 -0.055 20 0 EBADHP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219736954 810817705 /nfs/dbraw/zinc/81/77/05/810817705.db2.gz LLCCZHKXOWDDBY-GOEBONIOSA-N 2 3 336.480 -0.055 20 0 EBADHP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219736954 810817710 /nfs/dbraw/zinc/81/77/10/810817710.db2.gz LLCCZHKXOWDDBY-GOEBONIOSA-N 2 3 336.480 -0.055 20 0 EBADHP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219736954 810817715 /nfs/dbraw/zinc/81/77/15/810817715.db2.gz LLCCZHKXOWDDBY-GOEBONIOSA-N 2 3 336.480 -0.055 20 0 EBADHP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219831622 810867453 /nfs/dbraw/zinc/86/74/53/810867453.db2.gz QYCYBSJSGWBKFU-ABFRBSLYSA-N 2 3 336.480 -0.057 20 0 EBADHP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219831622 810867460 /nfs/dbraw/zinc/86/74/60/810867460.db2.gz QYCYBSJSGWBKFU-ABFRBSLYSA-N 2 3 336.480 -0.057 20 0 EBADHP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219831622 810867465 /nfs/dbraw/zinc/86/74/65/810867465.db2.gz QYCYBSJSGWBKFU-ABFRBSLYSA-N 2 3 336.480 -0.057 20 0 EBADHP C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1[NH3+] ZINC001157804874 831594218 /nfs/dbraw/zinc/59/42/18/831594218.db2.gz ZEAFLCOPVWRTHD-QPSCCSFWSA-N 2 3 339.484 -0.371 20 0 EBADHP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001159134319 831711551 /nfs/dbraw/zinc/71/15/51/831711551.db2.gz MMAXNRKJYFJVFW-XJKSGUPXSA-N 2 3 334.468 -0.270 20 0 EBADHP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC2 ZINC001161475974 831962293 /nfs/dbraw/zinc/96/22/93/831962293.db2.gz ABHKBVFVXGXUNJ-VBQJREDUSA-N 2 3 340.468 -0.201 20 0 EBADHP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000627460692 381878886 /nfs/dbraw/zinc/87/88/86/381878886.db2.gz RNTXFMDIPXHXLN-UONOGXRCSA-N 2 3 327.473 -0.805 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817955344 583731401 /nfs/dbraw/zinc/73/14/01/583731401.db2.gz WBPCIWWEWWMKMA-QGZVFWFLSA-N 2 3 339.484 -0.707 20 0 EBADHP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H](CN)C2CC2)C[C@H]1C[NH+](C)C ZINC000884706398 584634986 /nfs/dbraw/zinc/63/49/86/584634986.db2.gz BIBSOQNEQZPIPB-RBSFLKMASA-N 2 3 339.484 -0.962 20 0 EBADHP [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC000904300255 650048880 /nfs/dbraw/zinc/04/88/80/650048880.db2.gz ZZUWNCXTFCSCGY-CQSZACIVSA-N 2 3 335.452 -0.024 20 0 EBADHP C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@@H]1C[NH3+] ZINC000926329689 650386093 /nfs/dbraw/zinc/38/60/93/650386093.db2.gz GZWAAQFZOAPMMJ-LSDHHAIUSA-N 2 3 341.500 -0.619 20 0 EBADHP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)O1 ZINC001220481898 811123614 /nfs/dbraw/zinc/12/36/14/811123614.db2.gz VMXGMFRFEPWRLZ-DSJMHWKBSA-N 2 3 340.468 -0.298 20 0 EBADHP [NH3+]CCOCCOCCNC(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001220519150 811136066 /nfs/dbraw/zinc/13/60/66/811136066.db2.gz DCIYTNUKWQDMDB-HNNXBMFYSA-N 2 3 342.484 -0.442 20 0 EBADHP [NH3+]CCOCCOCCNC(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001220519150 811136069 /nfs/dbraw/zinc/13/60/69/811136069.db2.gz DCIYTNUKWQDMDB-HNNXBMFYSA-N 2 3 342.484 -0.442 20 0 EBADHP [NH3+]CCOCCOCCNC(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220519150 811136073 /nfs/dbraw/zinc/13/60/73/811136073.db2.gz DCIYTNUKWQDMDB-HNNXBMFYSA-N 2 3 342.484 -0.442 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220886767 811282672 /nfs/dbraw/zinc/28/26/72/811282672.db2.gz MFVSXKJLYILFCA-IHRRRGAJSA-N 2 3 325.457 -0.698 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306971 831645141 /nfs/dbraw/zinc/64/51/41/831645141.db2.gz ZCEGVFNALVHLPK-XQLPTFJDSA-N 2 3 337.468 -0.746 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158421802 831653866 /nfs/dbraw/zinc/65/38/66/831653866.db2.gz GFUWXPOMNFCSID-ZQDZILKHSA-N 2 3 337.468 -0.604 20 0 EBADHP N[C@H]1C[NH2+][C@H](C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001158903632 831695013 /nfs/dbraw/zinc/69/50/13/831695013.db2.gz NZGLBGQGISJKDL-WOKLECCJSA-N 2 3 349.410 -0.236 20 0 EBADHP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001159134316 831711332 /nfs/dbraw/zinc/71/13/32/831711332.db2.gz MMAXNRKJYFJVFW-BBRMVZONSA-N 2 3 334.468 -0.270 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161245742 831940520 /nfs/dbraw/zinc/94/05/20/831940520.db2.gz FWEQACCXTWHLMG-XEZPLFJOSA-N 2 3 343.447 -0.667 20 0 EBADHP CC(C)C[C@H](N)C(=O)NCC(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161445093 831957829 /nfs/dbraw/zinc/95/78/29/831957829.db2.gz NPLXUCNTUOXEKX-CABCVRRESA-N 2 3 341.500 -0.382 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627440565 379598199 /nfs/dbraw/zinc/59/81/99/379598199.db2.gz NZEBPHODVJDILZ-AWEZNQCLSA-N 2 3 339.484 -0.661 20 0 EBADHP COC[C@]1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCC[NH2+]1 ZINC000568975566 380623817 /nfs/dbraw/zinc/62/38/17/380623817.db2.gz KTGVGUILURPPAI-MRXNPFEDSA-N 2 3 329.489 -0.110 20 0 EBADHP NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000573206595 380663725 /nfs/dbraw/zinc/66/37/25/380663725.db2.gz GKZCDXLKJXWXHK-LSDHHAIUSA-N 2 3 339.484 -0.497 20 0 EBADHP NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000573206595 380663727 /nfs/dbraw/zinc/66/37/27/380663727.db2.gz GKZCDXLKJXWXHK-LSDHHAIUSA-N 2 3 339.484 -0.497 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911521871 650190145 /nfs/dbraw/zinc/19/01/45/650190145.db2.gz XNCDVLAMLZPPNP-ZDUSSCGKSA-N 2 3 327.473 -0.948 20 0 EBADHP COc1cc2c(cc1NC(=O)[C@H](N)CCC[NH3+])NC(=O)[C@]21CC[NH2+]C1 ZINC001219497415 810721414 /nfs/dbraw/zinc/72/14/14/810721414.db2.gz CBIXAWFJYFBPAO-DIFFPNOSSA-N 2 3 347.419 -0.117 20 0 EBADHP [NH3+]CCCOCCOCCOCCC[NH2+]C[C@]1(O)CCCNC1 ZINC001245983798 812558768 /nfs/dbraw/zinc/55/87/68/812558768.db2.gz JHJJYNQELMNJMP-INIZCTEOSA-N 2 3 333.473 -0.521 20 0 EBADHP N[C@@H]1C[NH2+][C@H](C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)C1 ZINC001158903630 831694733 /nfs/dbraw/zinc/69/47/33/831694733.db2.gz NZGLBGQGISJKDL-MYLCLEHYSA-N 2 3 349.410 -0.236 20 0 EBADHP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C2)CC1 ZINC001161377553 831951478 /nfs/dbraw/zinc/95/14/78/831951478.db2.gz HORAIAAPVHUHNX-CVEARBPZSA-N 2 3 335.496 -0.115 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000569324100 380639150 /nfs/dbraw/zinc/63/91/50/380639150.db2.gz GPIHMBNMCHSOLW-HNNXBMFYSA-N 2 3 341.500 -0.556 20 0 EBADHP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000519640867 419536639 /nfs/dbraw/zinc/53/66/39/419536639.db2.gz JGKIQYRPDXOZRF-OAHLLOKOSA-N 2 3 341.500 -0.604 20 0 EBADHP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000519640867 419536645 /nfs/dbraw/zinc/53/66/45/419536645.db2.gz JGKIQYRPDXOZRF-OAHLLOKOSA-N 2 3 341.500 -0.604 20 0 EBADHP Nc1cccnc1N(C(=O)[C@@H]1C[NH2+]CC12CNC2)C1CC[NH2+]CC1 ZINC001218694892 810520685 /nfs/dbraw/zinc/52/06/85/810520685.db2.gz DWPQAVUOPCNUKC-ZDUSSCGKSA-N 2 3 330.436 -0.442 20 0 EBADHP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220859525 811269859 /nfs/dbraw/zinc/26/98/59/811269859.db2.gz BLBALTFDTHUOES-IHRRRGAJSA-N 2 3 341.500 -0.077 20 0 EBADHP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001221187588 811409525 /nfs/dbraw/zinc/40/95/25/811409525.db2.gz AVZVUVGYFVVCKP-HIFRSBDPSA-N 2 3 340.468 -0.153 20 0 EBADHP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001221187588 811409533 /nfs/dbraw/zinc/40/95/33/811409533.db2.gz AVZVUVGYFVVCKP-HIFRSBDPSA-N 2 3 340.468 -0.153 20 0 EBADHP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001221187588 811409539 /nfs/dbraw/zinc/40/95/39/811409539.db2.gz AVZVUVGYFVVCKP-HIFRSBDPSA-N 2 3 340.468 -0.153 20 0 EBADHP C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001221239281 811422717 /nfs/dbraw/zinc/42/27/17/811422717.db2.gz LLQXOPIGAAXAGG-WFGGJUAMSA-N 2 3 325.457 -0.570 20 0 EBADHP CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001221390143 811449279 /nfs/dbraw/zinc/44/92/79/811449279.db2.gz APIRKYDLOFULOE-AAEUAGOBSA-N 2 3 328.461 -0.460 20 0 EBADHP CN(CCC[NH3+])CCC[NH2+][C@@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246284776 812569521 /nfs/dbraw/zinc/56/95/21/812569521.db2.gz OVIXSTUGLHHLAW-KBPBESRZSA-N 2 3 329.514 -0.490 20 0 EBADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101050 831628051 /nfs/dbraw/zinc/62/80/51/831628051.db2.gz GOYUTOBOIFIYQF-BBRMVZONSA-N 2 3 325.457 -0.828 20 0 EBADHP N[C@H]1C[NH2+][C@H](C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001158903631 831694893 /nfs/dbraw/zinc/69/48/93/831694893.db2.gz NZGLBGQGISJKDL-NVNVUAJTSA-N 2 3 349.410 -0.236 20 0 EBADHP CC(C)(O)CCN1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001161175318 831935378 /nfs/dbraw/zinc/93/53/78/831935378.db2.gz KUMXXIQODSVKFG-HNNXBMFYSA-N 2 3 341.500 -0.958 20 0 EBADHP COc1cc(N(C(=O)[C@@H]2C[NH2+]CC23CNC3)C2CC[NH2+]CC2)ccn1 ZINC001161386514 831952868 /nfs/dbraw/zinc/95/28/68/831952868.db2.gz QZKMRCGCEPIKIS-HNNXBMFYSA-N 2 3 345.447 -0.016 20 0 EBADHP C[NH+]1CCC(NC(=O)c2ccc(NC(=N)NCCCC[NH3+])nn2)CC1 ZINC001167880638 832381726 /nfs/dbraw/zinc/38/17/26/832381726.db2.gz STJSBUCXDGRHSN-UHFFFAOYSA-N 2 3 348.455 -0.024 20 0 EBADHP NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000573206592 380663373 /nfs/dbraw/zinc/66/33/73/380663373.db2.gz GKZCDXLKJXWXHK-CABCVRRESA-N 2 3 339.484 -0.497 20 0 EBADHP NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000573206592 380663377 /nfs/dbraw/zinc/66/33/77/380663377.db2.gz GKZCDXLKJXWXHK-CABCVRRESA-N 2 3 339.484 -0.497 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643509794 381928336 /nfs/dbraw/zinc/92/83/36/381928336.db2.gz USESBDUFNJRDKP-UHFFFAOYSA-N 2 3 327.473 -0.722 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643509771 381928519 /nfs/dbraw/zinc/92/85/19/381928519.db2.gz SCFMJUCNMPGQHS-HUUCEWRRSA-N 2 3 339.484 -0.851 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817955343 583731329 /nfs/dbraw/zinc/73/13/29/583731329.db2.gz WBPCIWWEWWMKMA-KRWDZBQOSA-N 2 3 339.484 -0.707 20 0 EBADHP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C[NH2+]1 ZINC001219684339 810797882 /nfs/dbraw/zinc/79/78/82/810797882.db2.gz MVXCBEQUPZDAMK-KBXIAJHMSA-N 2 3 339.484 -0.452 20 0 EBADHP COC(=O)C1(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC[NH2+]CC1 ZINC001220000987 810940163 /nfs/dbraw/zinc/94/01/63/810940163.db2.gz BJIFZWCJSGYAOK-ZDUSSCGKSA-N 2 3 328.457 -0.107 20 0 EBADHP N[C@@H](CSCC[NH3+])C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220023271 810953761 /nfs/dbraw/zinc/95/37/61/810953761.db2.gz SVNZSFBOYDQEKW-AWEZNQCLSA-N 2 3 338.477 -0.238 20 0 EBADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160629556 831872036 /nfs/dbraw/zinc/87/20/36/831872036.db2.gz QHWXSZYMHJKNID-HNNXBMFYSA-N 3 3 325.501 -0.473 20 0 EBADHP C[NH+](C)CCN(C(=O)CN1CCCC[C@H](N)C1=O)[C@H]1CCC[NH2+]C1 ZINC001161444034 831957999 /nfs/dbraw/zinc/95/79/99/831957999.db2.gz AEICHKRNEWRFPA-GJZGRUSLSA-N 2 3 339.484 -0.532 20 0 EBADHP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000572951455 380650201 /nfs/dbraw/zinc/65/02/01/380650201.db2.gz VQMVYNPLDNDKCC-CQSZACIVSA-N 2 3 341.500 -0.476 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000576861144 380789205 /nfs/dbraw/zinc/78/92/05/380789205.db2.gz BIZVISBAQBDBJU-CQSZACIVSA-N 2 3 327.473 -0.865 20 0 EBADHP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CNCCO2)C[C@H]1C[NH+](C)C ZINC000892179504 582568953 /nfs/dbraw/zinc/56/89/53/582568953.db2.gz JGXKFOZYXVNGGR-RBSFLKMASA-N 2 3 327.473 -0.644 20 0 EBADHP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903778482 582820342 /nfs/dbraw/zinc/82/03/42/582820342.db2.gz NNECXIQKLBKNAL-GAGVYUBLSA-N 2 3 336.436 -0.378 20 0 EBADHP [NH3+]C1CCN(c2ccc(NC(=O)[C@H]3C[NH2+]CC34CNC4)cn2)CC1 ZINC001218725203 810523980 /nfs/dbraw/zinc/52/39/80/810523980.db2.gz TZWBVPHJMGCPJU-CQSZACIVSA-N 2 3 330.436 -0.243 20 0 EBADHP COc1cc2c(cc1NC(=O)[C@@H](N)CCC[NH3+])NC(=O)[C@@]21CC[NH2+]C1 ZINC001219497414 810721784 /nfs/dbraw/zinc/72/17/84/810721784.db2.gz CBIXAWFJYFBPAO-APPDUMDISA-N 2 3 347.419 -0.117 20 0 EBADHP N[C@@H](CSCC[NH3+])C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219792016 810841887 /nfs/dbraw/zinc/84/18/87/810841887.db2.gz YEZCTBQGOROMHI-OCCSQVGLSA-N 2 3 325.482 -0.267 20 0 EBADHP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238243724 812525469 /nfs/dbraw/zinc/52/54/69/812525469.db2.gz VKCHBFUHUXZCTD-CQSZACIVSA-N 2 3 330.498 -0.220 20 0 EBADHP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238243724 812525474 /nfs/dbraw/zinc/52/54/74/812525474.db2.gz VKCHBFUHUXZCTD-CQSZACIVSA-N 2 3 330.498 -0.220 20 0 EBADHP O[C@@H](CNC[C@@]12CCCO[C@@H]1CC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001245982789 812557721 /nfs/dbraw/zinc/55/77/21/812557721.db2.gz JXVQUPKWBYSGGW-OAGGEKHMSA-N 2 3 327.469 -0.400 20 0 EBADHP [NH3+]CCCC[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C(=O)N1CCCC1 ZINC001157370827 831562387 /nfs/dbraw/zinc/56/23/87/831562387.db2.gz IISAPNILTXSORD-KGLIPLIRSA-N 2 3 337.468 -0.968 20 0 EBADHP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001159134317 831711290 /nfs/dbraw/zinc/71/12/90/831711290.db2.gz MMAXNRKJYFJVFW-CJNGLKHVSA-N 2 3 334.468 -0.270 20 0 EBADHP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667131 831771275 /nfs/dbraw/zinc/77/12/75/831771275.db2.gz SSZDKODIQXXCLR-BBWFWOEESA-N 2 3 347.463 -0.051 20 0 EBADHP CCOC(=O)[C@]12CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001160812117 831890470 /nfs/dbraw/zinc/89/04/70/831890470.db2.gz GLSVPPSDAWPAAH-JKIFEVAISA-N 2 3 338.452 -0.686 20 0 EBADHP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449348 831958845 /nfs/dbraw/zinc/95/88/45/831958845.db2.gz MEKSVYGREVVCOZ-RBSFLKMASA-N 2 3 340.468 -0.473 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000562958235 377061884 /nfs/dbraw/zinc/06/18/84/377061884.db2.gz MJFXKTGLJAKMEH-HNNXBMFYSA-N 2 3 341.500 -0.474 20 0 EBADHP C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000583746991 381132535 /nfs/dbraw/zinc/13/25/35/381132535.db2.gz JRRJSQRPQFYMPG-KGLIPLIRSA-N 2 3 327.473 -0.866 20 0 EBADHP CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000643509778 381928810 /nfs/dbraw/zinc/92/88/10/381928810.db2.gz SPRKBGOXTSMCCJ-CABCVRRESA-N 2 3 341.500 -0.476 20 0 EBADHP C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@H]1C[NH3+] ZINC000926329687 650385914 /nfs/dbraw/zinc/38/59/14/650385914.db2.gz GZWAAQFZOAPMMJ-GJZGRUSLSA-N 2 3 341.500 -0.619 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926331905 650386669 /nfs/dbraw/zinc/38/66/69/650386669.db2.gz URSOVEMNQNULAU-AWEZNQCLSA-N 2 3 327.473 -0.865 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635595 810782354 /nfs/dbraw/zinc/78/23/54/810782354.db2.gz NQPQAVSYQMPFSP-XUXIUFHCSA-N 2 3 343.447 -0.750 20 0 EBADHP NC[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219722500 810809149 /nfs/dbraw/zinc/80/91/49/810809149.db2.gz BLMUYLLEHXKKES-IRXDYDNUSA-N 2 3 345.491 -0.110 20 0 EBADHP NC[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219722500 810809156 /nfs/dbraw/zinc/80/91/56/810809156.db2.gz BLMUYLLEHXKKES-IRXDYDNUSA-N 2 3 345.491 -0.110 20 0 EBADHP C[NH+](C)CCCC[C@H](N)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838423 810871219 /nfs/dbraw/zinc/87/12/19/810871219.db2.gz QADMALGSVZAKOQ-ZOBUZTSGSA-N 2 3 342.484 -0.443 20 0 EBADHP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)O1 ZINC001220481900 811123899 /nfs/dbraw/zinc/12/38/99/811123899.db2.gz VMXGMFRFEPWRLZ-KQTLUZQSSA-N 2 3 340.468 -0.298 20 0 EBADHP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220651950 811190174 /nfs/dbraw/zinc/19/01/74/811190174.db2.gz SIFYBPFQTQTYTI-VQIMIIECSA-N 2 3 343.475 -0.089 20 0 EBADHP N[C@@H](CSCC[NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654133 811191615 /nfs/dbraw/zinc/19/16/15/811191615.db2.gz FOPRXPVGJMFVLJ-AWEZNQCLSA-N 2 3 337.493 -0.268 20 0 EBADHP NC(=[NH2+])N([C@H]1CN[C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246193528 812568694 /nfs/dbraw/zinc/56/86/94/812568694.db2.gz GXRCCKZLVKYZKP-NEPJUHHUSA-N 2 3 326.470 -0.803 20 0 EBADHP C1[NH2+]CC12C[C@H](N1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CCN2 ZINC001246662830 812579410 /nfs/dbraw/zinc/57/94/10/812579410.db2.gz BGLBMSQUVMHAGW-OAHLLOKOSA-N 2 3 348.495 -0.446 20 0 EBADHP CN(C)CCN(C(=O)CN(C)[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161447453 831957805 /nfs/dbraw/zinc/95/78/05/831957805.db2.gz XOFDPCALUZWROK-HOTGVXAUSA-N 2 3 325.501 -0.188 20 0 EBADHP CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161449526 831959026 /nfs/dbraw/zinc/95/90/26/831959026.db2.gz NNVVYZILGCCCNF-DZKIICNBSA-N 2 3 341.500 -0.382 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000569677946 377087699 /nfs/dbraw/zinc/08/76/99/377087699.db2.gz KWPMOJDDCWEQSC-HUUCEWRRSA-N 2 3 341.500 -0.428 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000581364126 381071128 /nfs/dbraw/zinc/07/11/28/381071128.db2.gz BGDWYLSBTNENSZ-HUUCEWRRSA-N 2 3 339.484 -0.994 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000572111617 381641013 /nfs/dbraw/zinc/64/10/13/381641013.db2.gz MPHCNUWVJMCSAG-LSDHHAIUSA-N 2 3 339.484 -0.994 20 0 EBADHP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000662337211 421085706 /nfs/dbraw/zinc/08/57/06/421085706.db2.gz KAOSHUBLMRCJFU-MRXNPFEDSA-N 2 3 347.511 -0.096 20 0 EBADHP [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC000904300254 650048928 /nfs/dbraw/zinc/04/89/28/650048928.db2.gz ZZUWNCXTFCSCGY-AWEZNQCLSA-N 2 3 335.452 -0.024 20 0 EBADHP O=C(N[C@H]1CC[C@H](N2CCOCC2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221056334 811355831 /nfs/dbraw/zinc/35/58/31/811355831.db2.gz OMFVQUIFVPCVLN-YFHUEUNASA-N 2 3 336.480 -0.055 20 0 EBADHP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1CCCC[C@H](N)C1=O ZINC001221388349 811449373 /nfs/dbraw/zinc/44/93/73/811449373.db2.gz BUFPBMMOORRBDD-LBPRGKRZSA-N 2 3 326.445 -0.610 20 0 EBADHP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1nc2c(s1)CNCC2 ZINC001236311316 812517374 /nfs/dbraw/zinc/51/73/74/812517374.db2.gz HGBDPYPUZMMFKT-UHFFFAOYSA-N 2 3 340.497 -0.595 20 0 EBADHP O[C@]1(CN(CCN2CCOCC2)CC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001246059738 812562289 /nfs/dbraw/zinc/56/22/89/812562289.db2.gz CKPMSTJFTMZOPR-GOSISDBHSA-N 2 3 340.512 -0.265 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157371074 831562420 /nfs/dbraw/zinc/56/24/20/831562420.db2.gz NZPRPKBQAYNCHV-KBPBESRZSA-N 2 3 327.473 -0.321 20 0 EBADHP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001157448620 831566291 /nfs/dbraw/zinc/56/62/91/831566291.db2.gz CERIWFRGWZPSPK-CXAGYDPISA-N 2 3 338.452 -0.541 20 0 EBADHP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001159134042 831710737 /nfs/dbraw/zinc/71/07/37/831710737.db2.gz MCVKAYUFGMFTCT-ZIAGYGMSSA-N 2 3 332.452 -0.788 20 0 EBADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160628339 831871778 /nfs/dbraw/zinc/87/17/78/831871778.db2.gz CBFMMOSQFNLQDW-SJLPKXTDSA-N 3 3 339.528 -0.083 20 0 EBADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160629557 831872249 /nfs/dbraw/zinc/87/22/49/831872249.db2.gz QHWXSZYMHJKNID-OAHLLOKOSA-N 3 3 325.501 -0.473 20 0 EBADHP COc1cc(C)nc(N(C(=O)[C@@H](N)CCC[NH3+])C2CC[NH2+]CC2)n1 ZINC001161309150 831947207 /nfs/dbraw/zinc/94/72/07/831947207.db2.gz MEOZTFDAYOJLSP-ZDUSSCGKSA-N 2 3 336.440 -0.055 20 0 EBADHP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448342 831958524 /nfs/dbraw/zinc/95/85/24/831958524.db2.gz BRSJLDYCPNSDOO-QLFBSQMISA-N 2 3 326.441 -0.720 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001324936738 839737653 /nfs/dbraw/zinc/73/76/53/839737653.db2.gz HFXMUDRRQWPYHN-OAHLLOKOSA-N 2 3 341.500 -0.652 20 0 EBADHP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000566090501 380446199 /nfs/dbraw/zinc/44/61/99/380446199.db2.gz ILBLCWLEUZETQO-CABCVRRESA-N 2 3 341.500 -0.476 20 0 EBADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872189995 584458985 /nfs/dbraw/zinc/45/89/85/584458985.db2.gz LCIDSPIWHPJCRG-WMLDXEAASA-N 2 3 339.484 -0.994 20 0 EBADHP Nc1cccnc1N(C(=O)[C@H]1C[NH2+]CC12CNC2)C1CC[NH2+]CC1 ZINC001218694891 810519972 /nfs/dbraw/zinc/51/99/72/810519972.db2.gz DWPQAVUOPCNUKC-CYBMUJFWSA-N 2 3 330.436 -0.442 20 0 EBADHP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)O1 ZINC001220481901 811123384 /nfs/dbraw/zinc/12/33/84/811123384.db2.gz VMXGMFRFEPWRLZ-NHIYQJMISA-N 2 3 340.468 -0.298 20 0 EBADHP N[C@H](CCC[NH3+])C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220871003 811276316 /nfs/dbraw/zinc/27/63/16/811276316.db2.gz RIWBLMKXWVDXNG-SNVBAGLBSA-N 2 3 330.230 -0.184 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160649762 831875950 /nfs/dbraw/zinc/87/59/50/831875950.db2.gz MQDGRAILKVUUOV-CRWXNKLISA-N 2 3 343.447 -0.669 20 0 EBADHP O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780886 831886186 /nfs/dbraw/zinc/88/61/86/831886186.db2.gz YXYFHKNRDRQJCH-MDZRGWNJSA-N 2 3 326.444 -0.205 20 0 EBADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161245740 831941029 /nfs/dbraw/zinc/94/10/29/831941029.db2.gz FWEQACCXTWHLMG-HEHGZKQESA-N 2 3 343.447 -0.667 20 0 EBADHP CN(C)CCN(C(=O)CN(C)[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161447455 831957840 /nfs/dbraw/zinc/95/78/40/831957840.db2.gz XOFDPCALUZWROK-HZPDHXFCSA-N 2 3 325.501 -0.188 20 0 EBADHP C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161444361 831958090 /nfs/dbraw/zinc/95/80/90/831958090.db2.gz GPSINFYMTJBRMH-KKUMJFAQSA-N 2 3 339.484 -0.533 20 0 EBADHP C[NH2+][C@@H]1CCCN(CC(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)C1 ZINC001161448815 831958777 /nfs/dbraw/zinc/95/87/77/831958777.db2.gz HTJNEJBKVIIMHK-HZPDHXFCSA-N 2 3 325.501 -0.188 20 0 EBADHP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161449349 831959020 /nfs/dbraw/zinc/95/90/20/831959020.db2.gz MEKSVYGREVVCOZ-RRFJBIMHSA-N 2 3 340.468 -0.473 20 0 EBADHP